The Pauli-Jung conjecture and its impact today

CERN Document Server

Fuchs, Christopher A

2014-01-01

Related to the key areas of Pauli''s and Jung''s joint interests, the book covers overlapping issues from the perspectives of physics, philosophy, and psychology. Of primary significance are epistemological questions connected to issues such as realism, measurement, observation, consciousness, and the unconscious. The contributions assess the extensive material that we have about Pauli''s and Jung''s ideas today, with particular respect to concrete research questions and projects based on and re...

Electromagnetic activity of a pulsating paramagnetic neutron star

International Nuclear Information System (INIS)

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

2002-01-01

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

Influence of the Pauli principle on the one-quasiparticle states in odd spherical nuclei

International Nuclear Information System (INIS)

Chan Zuy Khuong

1980-01-01

The effect of the Pauli principle on the fragmentation of one-quasiparticle states in odd spherical nuclei is studied within the quasiparticle-phonon nuclear model. It is shown that the Pauli principle influences considerably the position and structure of a few low-lying states. The fragmentation of one-quasiparticle states at intermediate and high excitation energies is slightly affected by the Pauli principle, and the calculations can be performed by taking the Pauli principle into account roughly. (author)

Approximated treatment of the Pauli principle effects in elastic collisons

International Nuclear Information System (INIS)

Schechter, H.

1984-08-01

Exact microscopic methods like the RGM (Resonanting Group Method) and the GCM (Generator Coordinate Method) and approximate methods like the OCM (Orthogonality Condition Model) are used to study the effects of Pauli Principle in α- 16 O elastic scattering. Using V2 and BL nucleon-nucleon interactions, nucleus-nucleus effective potentials are obtained from RGM 'exact' wave functions and also from an approximate method developed previoulsy. Using these potentials in the OCM Saito Equation phase-shifts are calculated for partial waves Λ = 0, 1, ... 11, in the energy range 0 [pt

Quantum capacity of Pauli channels with memory

International Nuclear Information System (INIS)

Huang Peng; He Guangqiang; Lu Yuan; Zeng Guihua

2011-01-01

The amount of coherent quantum information that can be reliably transmitted down the memory Pauli channels with Markovian correlated noise is investigated. Two methods for evaluating the quantum capacity of the memory Pauli channels are proposed to try to trace the memory effect on the transmissions of quantum information. We show that the evaluation of quantum capacity can be reduced to the calculation of the initial memory state of each successive transmission. Furthermore, we derive quantum capacities of the memory phase flip channel, bit flip channel and bit-phase flip channel. Also, a lower bound of the quantum capacity of the memory depolarizing channel is obtained. An increase of the degree of memory of the channels has a positive effect on the increase of their quantum capacities.

Is weak violation of the Pauli principle possible?

International Nuclear Information System (INIS)

Ignat'ev, A.Yu.; Kuz'min, V.A.

1987-01-01

The question considered in the work is whether there are models which can account for small violation of the Pauli principle. A simple algebra is constructed for the creation-annihilation operators, which contains a parameter β and describe small violation of the Pauli principle (the Pauli principle is valid exactly for β=0). The commutation relations in this algebra are trilinear. A model is presented, basing upon this commutator algebra, which allows transitions violating the Pauli principle, their probability being suppressed by a factor of β 2 (even though the Hamiltonian does not contain small parameters)

On surface clustering and Pauli principle effects in alpha decay

International Nuclear Information System (INIS)

Holan, S.

1983-01-01

The importance of the correct description of nuclear surface region in alpha decay calculations is pointed out. A model is proposed takinq into account explicitly surface clustering and Pauli principle effects which are essential in this region. A method for solving the main integrodifferential equation of the model by using the oscillator shell basis and the Collatz method is worked out. The first numerical results are obtained for nonlocal potential of the atpha particle-daughter nucleus interaction

The Pauli exclusion principle origin, verifications and applications

CERN Document Server

Kaplan, Ilya G

2017-01-01

This is the first scientific book devoted to the Pauli Exclusion Principle, which is a fundamental principle of quantum mechanics and is permanently applied in chemistry, physics, molecular biology and in physical astronomy. However, while the principle has been studied for more than 90 years, rigorous theoretical foundations still have not been established and many unsolved problems remain. Following an introduction and historical survey, this book discusses the still unresolved questions around this fundamental principle. For instance, why, according to the Pauli Exclusion Principle, are only symmetric and antisymmetric permutation symmetries for identical particles realized, while the Schrödinger equation is satisfied by functions with any permutation symmetry? Chapter 3 covers possible answers to this, while chapter 4 presents effective and elegant methods for finding the Pauli-allowed states in atomic, molecular and nuclear spectroscopy. Chapter 5 discusses parastatistics and fractional statistics, dem...

Pauli-Guersey symmetry in gauge theories

International Nuclear Information System (INIS)

Stern, J.

1983-05-01

Gauge theories with massless or massive fermions in a selfcontragredient representation exhibit global symmetries of Pauli-Guersey type. Some of them are broken spontaneously leading to a difermion Goldstone bosons. An example of a boson version of the Pauli-Guersey symmetry is provided by the Weinberg-Salam model in the limit THETAsub(w)→O

Pauli and Jung the meeting of two great minds

CERN Document Server

Lindorff, David

2004-01-01

The pioneering work of Nobel prize-winning physicist Wolfgang Pauli led to developing the bombs that decimated Hiroshima and Nagasaki. Desperate over this outcome, Pauli sought help from the eminent depth psychologist, C. G. Jung. Their long correspondence provides the powerful and unique record of a mature scientist's inner journey. It also has had a tremendous impact on scientific and psychological thought ever since. Pauli and Jung is a lucid interpretation of Pauli's ideas and dreams that forcefully validates his belief in the inseparable union of science and spirituality. Far ahead of their time, Wolfgang Pauli and C. G. Jung both knew this union is essential for the future of humanity and the survival of the planet.

Non Pauli-Fierz Massive Gravitons

CERN Document Server

Dvali, Gia; Redi, Michele

2008-01-01

We study general Lorentz invariant theories of massive gravitons. We show that, contrary to the standard lore, there exist consistent theories where the graviton mass term violates Pauli-Fierz structure. For theories where the graviton is a resonance this does not imply the existence of a scalar ghost if the deviation from Pauli-Fierz becomes sufficiently small at high energies. These types of mass terms are required by any consistent realization of the DGP model in higher dimension.

Pauli correlations in heavy-ion collisions at high energies

International Nuclear Information System (INIS)

Franco, V.; Nutt, W.T.

1977-01-01

The effects of short-range correlations on the Glauber expansion for nucleus-nucleus collisions are calculated using the Fermi gas model for nuclei. When the Pauli principle is neglected for collisions between heavy nuclei, calculation of the optical phase-shift function leads to non-unitary results and cross sections cannot be obtained. When Pauli correlations are included important cancellations in the optical phase-shift function are found which make possible the calculation of total and differential cross sections for heavy nuclei. (Auth.)

Non-Pauli-Fierz Massive Gravitons

International Nuclear Information System (INIS)

Dvali, Gia; Pujolas, Oriol; Redi, Michele

2008-01-01

We study general Lorentz invariant theories of massive gravitons. We show that, contrary to the standard lore, there exist consistent theories where the graviton mass term violates Pauli-Fierz structure. For theories where the graviton is a resonance, this does not imply the existence of a scalar ghost if the deviation from a Pauli-Fierz structure becomes sufficiently small at high energies. These types of mass terms are required by any consistent realization of the Dvali-Gabadadze-Porrati model in higher dimension

Is a weak violation of the Pauli principle possible?

International Nuclear Information System (INIS)

Ignat'ev, A.Y.; Kuz'min, V.A.

1987-01-01

We examine models in which there is a weak violation of the Pauli principle. A simple algebra of creation and annihilation operators is constructed which contains a parameter β and describes a weak violation of the Pauli principle (when β = 0 the Pauli principle is satisfied exactly). The commutation relations in this algebra turn out to be trilinear. A model based on this algebra is described. It allows transitions in which the Pauli principle is violated, but the probability of these transitions is suppressed by the quantity β 2 (even though the interaction Hamiltonian does not contain small parameters)

Collisional excitation of neon-like Ni XIX using the Breit–Pauli R ...

Indian Academy of Sciences (India)

Abstract. Collision strength for the transition within the first five fine-structure levels in Ni XIX are calculated using the Breit–Pauli R-matrix method. Configuration inter- action wave functions are used to represent the target states included in the R-matrix expansion. The relativistic effects are incorporated in the Breit–Pauli ...

Binding and Pauli principle corrections in subthreshold pion-nucleus scattering

International Nuclear Information System (INIS)

Kam, J. de

1981-01-01

In this investigation I develop a three-body model for the single scattering optical potential in which the nucleon binding and the Pauli principle are accounted for. A unitarity pole approximation is used for the nucleon-core interaction. Calculations are presented for the π- 4 He elastic scattering cross sections at energies below the inelastic threshold and for the real part of the π- 4 He scattering length by solving the three-body equations. Off-shell kinematics and the Pauli principle are carefully taken into account. The binding correction and the Pauli principle correction each have an important effect on the differential cross sections and the scattering length. However, large cancellations occur between these two effects. I find an increase in the π- 4 He scattering length by 100%; an increase in the cross sections by 20-30% and shift of the minimum in π - - 4 He scattering to forward angles by 10 0 . (orig.)

Is small violation of the Pauli principle possible?

International Nuclear Information System (INIS)

Ignatiev, A.Yu.; Kuzmin, V.A.

1987-02-01

The Pauli exclusion principle is one of the most fundamental laws of nature. Yet the experiment shows that many fundamental laws are in fact not absolute, but only approximate, i.e. are valid only to a certain accuracy. At present, however, there are no answers to the question: ''To what accuracy is the Pauli principle valid?'' This is so because there are no models capable of describing small deviations from the exclusion principle. In the present paper we consider the problem of constructing such models. We have constructed the simplest algebra of the creation and annihilation operators with a parameter β which incorporates the small violations of the Pauli principle (for β=0 the Pauli principle holds absolutely true). The commutation relations in this model prove to be trilinear. We then present a model Hamiltonian based on the constructed algebra which describes the Pauli principle violating transitions i.e. transitions of two identical particles into the same state with the probability suppressed by a factor of β 2 (notwithstanding the fact that the Hamiltonian itself does not contain any small parameters). (author). 8 refs

Taking into account of the Pauli principle in the quasiparticle-phonon nuclear model

International Nuclear Information System (INIS)

Solov'ev, V.G.

1979-01-01

The effect of an exact account taken of the Pauli principle and correlations in ground states in calculations in the framework of the quasiparticle-phonon model of a nucleus has been studied. It is elucidated when it is possible to use the random phase approximation (RPA) and when the Pauli principle should be exactly taken into account. It has been shown that in the quasiparticle-phonon model of a nucleus one may perform calculations with a precise account of the Pauli principle. In most of the problems calculations can be carried out with RPA-phonons

The Pauli Objection

Science.gov (United States)

Leon, Juan; Maccone, Lorenzo

2017-12-01

Schrödinger's equation says that the Hamiltonian is the generator of time translations. This seems to imply that any reasonable definition of time operator must be conjugate to the Hamiltonian. Then both time and energy must have the same spectrum since conjugate operators are unitarily equivalent. Clearly this is not always true: normal Hamiltonians have lower bounded spectrum and often only have discrete eigenvalues, whereas we typically desire that time can take any real value. Pauli concluded that constructing a general a time operator is impossible (although clearly it can be done in specific cases). Here we show how the Pauli argument fails when one uses an external system (a "clock") to track time, so that time arises as correlations between the system and the clock (conditional probability amplitudes framework). In this case, the time operator is conjugate to the clock Hamiltonian and not to the system Hamiltonian, but its eigenvalues still satisfy the Schrödinger equation for arbitrary system Hamiltonians.

Effect of the Pauli principle on the nonrotational states in odd-A deformed nuclei

International Nuclear Information System (INIS)

Bastrukov, S.I.; Nesterenko, V.O.; Soloviev, V.G.

1982-01-01

The commutation relations between the quasiparticle and phonon operators are used to obtain the equations allowing a correct accounting of the Pauli principle for the description of the states of odd-A deformed nuclei. It is shown, that if in the quasiparticle plus phonon component the Pauli principle is not violated or is slightly violated, then a relevant vibrational state may exist in an odd-A deformed nucleus

The re-enchantment of nature - Wolfgang Pauli's philosophy of quantum physics

International Nuclear Information System (INIS)

Nair, Ranjit

1990-01-01

Pauli's dreamt of a new metaphysics that would eliminate the Cartesian divide between matter and spirit, and accomplish a re-enchantment of Nature. Pauli's vision it would appear, has not been widely shared, outside of the realms of popular science. It is not surprising that someone of Pauli's persuasion, like Laurikainen, should regard this neglect as the result of a conspiracy. In a more dispassionate light, it is appropriate to take Pauli's radical proposals as a measure of the profound sense of wonder he felt at the strange, shadowy world of the quantum where classical certitudes desert us. In attempting to delineate a metaphysics radically different from that underlying classical physics, Pauli took on a conceptual challenge of immense magnitude. This enterprise itself, regardless of its success or failure, offers testimony of Pauli's stature as a philosopher-physicist. (author). 31 refs

Pauli-blocking effect in two-body collisions dominates the in-medium effects in heavy-ion reactions near Fermi energy

Energy Technology Data Exchange (ETDEWEB)

Xing, Yong-Zhong, E-mail: yzxing@tsnu.edu.cn [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); Zhang, H.F. [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); School of Nuclear Science and Technology, Lanzhou University, Lanzhou 730000 (China); Liu, Xiao-Bin [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); Zheng, Yu-Ming [Institute for the Fundamental Physics, Tianshui Normal University, Gansu, Tianshui 741000 (China); China Institute of Atomic Energy, P.O. Box 275(18), Beijing 102413 (China)

2017-01-15

The dissipation phenomenon in the heavy-ion reaction at incident energy near Fermi energy is studied by simulating the reactions {sup 129}Xe + {sup 129}Sn and {sup 58}Ni + {sup 58}Ni with isospin-dependent quantum molecular dynamics model (IQMD). The isotropy ratio in terms of transverse and longitudinal energies of the free protons emitted in the final states of these reactions is quantitatively analyzed to explore the in-medium correlation of the binary collisions. Comparison of the calculations with the experimental data recently released by INDRA collaboration exhibits that the ratio is very sensitive to the Pauli blocking effect in two-body collisions and Pauli exclusion principle is indispensable in the theoretical simulations for the heavy-ion reactions near the Fermi energy.

Mind, matter, and Pauli

International Nuclear Information System (INIS)

Stapp, H.P.

1992-01-01

The role of subjective experience in physical theory is discussed, with particular attention to the later ideas of Wolfgang Pauli. These ideas appear to open the door to a unified framework for the development of science

Mind, matter, and Pauli

Energy Technology Data Exchange (ETDEWEB)

Stapp, H.P.

1992-09-10

The role of subjective experience in physical theory is discussed, with particular attention to the later ideas of Wolfgang Pauli. These ideas appear to open the door to a unified framework for the development of science.

Taking into account for the Pauli principle in particle-vibrator model

International Nuclear Information System (INIS)

Knyaz'kov, O.M.

1985-01-01

To construct Hamiltonian of the particle interaction and phonons a semimicroscopic approach developed by the author earlier is used. At that the Pauli principle is taken account of in local formalism of density matrix. Analytical expressions permitting in a closed form to solve a task of taking account of the Pauli principle in the particle-vibrator model have been derived. Unlike a phenomenological approach form factors of inelastic transitions are determined with parameters of effective nucleon-nucleon forces, central and transition densities and contain no free parameters

Testing the Pauli Exclusion Principle for Electrons

International Nuclear Information System (INIS)

Marton, J; Berucci, C; Cargnelli, M; Ishiwatari, T; Bartalucci, S; Bragadireanu, M; Curceanu, C; Guaraldo, C; Iliescu, M; Pietreanu, D; Piscicchia, K; Ponta, T; Vidal, A Romero; Scordo, A; Sirghi, D L; Bertolucci, S; Matteo, S Di; Egger, J-P; Laubenstein, M; Milotti, E

2013-01-01

One of the fundamental rules of nature and a pillar in the foundation of quantum theory and thus of modern physics is represented by the Pauli Exclusion Principle. We know that this principle is extremely well fulfilled due to many observations. Numerous experiments were performed to search for tiny violation of this rule in various systems. The experiment VIP at the Gran Sasso underground laboratory is searching for possible small violations of the Pauli Exclusion Principle for electrons leading to forbidden X-ray transitions in copper atoms. VIP is aiming at a test of the Pauli Exclusion Principle for electrons with high accuracy, down to the level of 10 −29 – 10 −30 , thus improving the previous limit by 3–4 orders of magnitude. The experimental method, results obtained so far and new developments within VIP2 (follow-up experiment at Gran Sasso, in preparation) to further increase the precision by 2 orders of magnitude will be presented

Atom and archetype the Pauli/Jung letters, 1932-1958

CERN Document Server

2001-01-01

Wolfgang Pauli, world-renowned physicist, turned to Carl Jung for help, setting a standing appointment for Mondays at noon. Thus bloomed an extraordinary intellectual conjunction. Eighty letters, written over twenty-six years, record that friendship, and are published here in English for the first time.Through the association of these two pioneering thinkers, developments in physics profoundly influenced the evolution of Jungian psychology. And many of Jung's abiding themes shaped how Pauli - and, through him, other physicists - understood the physical world. Atom and Archetype will appeal not only to those interested in the life of Pauli or Jung, but also to the educated general reader.

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

International Nuclear Information System (INIS)

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

2000-01-01

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

Pauli-Villars regularization in nonperturbative Hamiltonian approach on the light front

Energy Technology Data Exchange (ETDEWEB)

Malyshev, M. Yu., E-mail: mimalysh@yandex.ru; Paston, S. A.; Prokhvatilov, E. V.; Zubov, R. A.; Franke, V. A. [Saint Petersburg State University, Saint Petersburg (Russian Federation)

2016-01-22

The advantage of Pauli-Villars regularization in quantum field theory quantized on the light front is explained. Simple examples of scalar λφ{sup 4} field theory and Yukawa-type model are used. We give also an example of nonperturbative calculation in the theory with Pauli-Villars fields, using for that a model of anharmonic oscillator modified by inclusion of ghost variables playing the role similar to Pauli-Villars fields.

The Strange Friendship of Pauli and Jung - When Physics Met Psychology

CERN Multimedia

CERN. Geneva

2009-01-01

At a key time in his scientific development, Pauli was undergoing analysis by Jung. What can we learn about Pauli's discoveries of the exclusion principle and the CPT theorem, as well as his thoughts on non-conservation of parity, and his quest with Heisenberg for a unified field theory of elementary particles from Jung’s analysis of his dreams? A very different Pauli emerges, one at odds with esteemed colleagues such as Niels Bohr and Werner Heisenberg.

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

International Nuclear Information System (INIS)

Shelykh, A.I.

1987-01-01

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

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

International Nuclear Information System (INIS)

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

2003-01-01

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

Scattering theory of infrared divergent Pauli-Fierz Hamiltonians

CERN Document Server

Derezinski, J

2003-01-01

We consider in this paper the scattering theory of infrared divergent massless Pauli-Fierz Hamiltonians. We show that the CCR representations obtained from the asymptotic field contain so-called {\\em coherent sectors} describing an infinite number of asymptotically free bosons. We formulate some conjectures leading to mathematically well defined notion of {\\em inclusive and non-inclusive scattering cross-sections} for Pauli-Fierz Hamiltonians. Finally we give a general description of the scattering theory of QFT models in the presence of coherent sectors for the asymptotic CCR representations.

Wolfgang Pauli at the 6th meeting of the Nobel Prize laureates

CERN Multimedia

Franz Thorbecke, Lindau

1956-01-01

From left to right : ?, Max Born, Paul Adrien Maurice Dirac, Adolf Friedrich Johann Butenandt, ?, Otto Hahn, Wolfgang Pauli, Franca Pauli, Sir Chandrasekhara Venkata Raman, Isidor Isaac Rabi, and Leopold Ruzicka

On inclusion of the Pauli principle in the quasi particle-phonon nuclear model

International Nuclear Information System (INIS)

Soloviev, V.G.

1979-01-01

The Pauli principle in odd-even, even-odd and even-even nuclei in the quasi particle-phonon nuclear model is considered. It is shown that the Pauli principle can excactly be taken into account. The exact and approximate secular equations are obtained for the wave function containing the one-quasi particle and quasi particle plus phonon components. The effect of the Pauli principle is discussed, when the wave function contains the one- and two-phonon components. In both the cases the poles are shifted in the secular equations and the quasi particle-phonon interaction terms are added. The number of quasi particles in the ground states is estimated. It is stated that in the majority of deformed nuclei the correlations in the ground states are small. It is shown that within the quasi particle-phonon nuclear model the calculations can be performed with the exact commutation relations

The paramagnetic effect in Type-I superconductors

International Nuclear Information System (INIS)

Rothen, F.; Lievre, C.

1975-01-01

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

Effects of the Pauli suppression of the Born amplitude in a nuclear medium

International Nuclear Information System (INIS)

Nutt, W.T.

1976-01-01

It is noted that the suppression of the Born term in the pion-nucleon interaction which is expected due to the action of the Pauli Exclusion Principle in a nuclear medium gives rise to a downward shift to the (3,3) resonance

On the surprising rigidity of the Pauli exclusion principle

International Nuclear Information System (INIS)

Greenberg, O.W.

1989-01-01

I review recent attempts to construct a local quantum field theory of small violations of the Pauli exclusion principle and suggest a qualitative reason for the surprising rigidity of the Pauli principle. I suggest that small violations can occur in our four-dimensional world as a consequence of the compactification of a higher-dimensional theory in which the exclusion principle is exactly valid. I briefly mention a recent experiment which places a severe limit on possible violations of the exclusion principle. (orig.)

On the influence of the Pauli exclusion principle on the transport properties of dense Coulomb systems

International Nuclear Information System (INIS)

Schmidt, M.; Janke, T.; Redmer, R.

1989-01-01

Within a model calculation the influence of the Pauli exclusion principle on the electrical conductivity of a fully ionized and degenerate hydrogen plasma is investigated. Basing on a quantum kinetic equation solved with the relaxation time ansatz, the electron-ion contribution to the resistivity is calculated. The thermodynamical T-matrix for electron-ion scattering processes is evaluated under special account for the Pauli blocking of the intermediate scattering states. The corresponding Bethe-Salpeter equation is solved analytically using a separable approximation of the statically screened potential. The Pauli exclusion principle has been found to give rise for a considerable enhancement of the transport cross section near the Fermi energy. Thus, degeneracy effects tend to diminish the electrical conductivity in the density-temperature region considered here. (author)

Violations of the Pauli principle and the interior of the sun

Energy Technology Data Exchange (ETDEWEB)

Plaga, R.

1989-08-01

The consequences of a violation of the Pauli principle for the physics of the solar interior are explored. It is found that a bound state of two protons becomes possible. This leads to an increase in the rate of hydrogen burning in the sun. Because a very large cross section for this reaction is in clear contradiction with the theory of stellar structure when compared with observations of solar luminosity, radius and mechanical oscillations, stringent limits on a violation of the Pauli principle in the two nucleon system can be given. However, a very small violation of the Pauli principle in the two nucleon system might solve the longstanding solar neutrino problem. (orig.).

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

Science.gov (United States)

Bıyık, Recep; Tapramaz, Recep

2009-10-01

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

Wolfgang Pauli Room

CERN Multimedia

Bennett, Sophia Elizabeth

2017-01-01

This small but historically valuable collection was donated by Pauli’s widow who, with the help of friends including his former assistants Charles Enz and Victor Weisskopf, gathered together Pauli’s manuscripts and notes, and tracked down originals or copies of his many letters. His correspondence with Bohr, Heisenberg Einstein and others, discussing many of the new ideas in physics, has been published (link) and provides an invaluable resource for those interested in studying the development of 20th century science. Unlike the main CERN Archive, most items in the Pauli collection have been digitised and are available online.

High sensitivity tests of the Pauli Exclusion Principle with VIP2

CERN Document Server

Marton, J; Bertolucci, S; Berucci, C; Bragadireanu, M; Cargnelli, M; Curceanu, C; Clozza, A; Di Matteo, S; Egger, J-P; Guaraldo, C; Iliescu, M; Ishiwatari, T; Laubenstein, M; Milotti, E; Pichler, A; Pietreanu, D; Piscicchia, K; Ponta, T; Scordo, A; Shi, H; Sirghi, D L; Sirghi, F; Sperandio, L; Doce, O Vazquez; Widmann, E; Zmeskal, J

2015-01-01

The Pauli Exclusion Principle is one of the most fundamental rules of nature and represents a pillar of modern physics. According to many observations the Pauli Exclusion Principle must be extremely well fulfilled. Nevertheless, numerous experimental investigations were performed to search for a small violation of this principle. The VIP experiment at the Gran Sasso underground laboratory searched for Pauli-forbidden X-ray transitions in copper atoms using the Ramberg-Snow method and obtained the best limit so far. The follow-up experiment VIP2 is designed to reach even higher sensitivity. It aims to improve the limit by VIP by orders of magnitude. The experimental method, comparison of different PEP tests based on different assumptions and the developments for VIP2 are presented.

Electron paramagnetic resonance

CERN Document Server

Al'tshuler, S A

2013-01-01

Electron Paramagnetic Resonance is a comprehensive text on the field of electron paramagnetic resonance, covering both the theoretical background and the results of experiment. This book is composed of eight chapters that cover theoretical materials and experimental data on ionic crystals, since these are the materials that have been most extensively studied by the methods of paramagnetic resonance. The opening chapters provide an introduction to the basic principles of electron paramagnetic resonance and the methods of its measurement. The next chapters are devoted to the theory of spectra an

Zweideutigkeit about "Zweideutigkeit": Sommerfeld, Pauli, and the methodological origins of quantum mechanics

Science.gov (United States)

Seth, Suman

In early 1925, Wolfgang Pauli (1900-1958) published the paper for which he is now most famous and for which he received the Nobel Prize in 1945. The paper detailed what we now know as his "exclusion principle." This essay situates the work leading up to Pauli's principle within the traditions of the "Sommerfeld School," led by Munich University's renowned theorist and teacher, Arnold Sommerfeld (1868-1951). Offering a substantial corrective to previous accounts of the birth of quantum mechanics, which have tended to sideline Sommerfeld's work, it is suggested here that both the method and the content of Pauli's paper drew substantially on the work of the Sommerfeld School in the early 1920s. Part One describes Sommerfeld's turn away from a faith in the power of model-based (modellmässig) methods in his early career towards the use of a more phenomenological emphasis on empirical regularities (Gesetzmässigkeiten) during precisely the period that both Pauli and Werner Heisenberg (1901-1976), among others, were his students. Part two delineates the importance of Sommerfeld's phenomenology to Pauli's methods in the exclusion principle paper, a paper that also eschewed modellmässig approaches in favour of a stress on Gesetzmässigkeiten. In terms of content, a focus on Sommerfeld's work reveals the roots of Pauli's understanding of the fundamental Zweideutigkeit (ambiguity) involving the quantum number of electrons within the atom. The conclusion points to the significance of these results to an improved historical understanding of the origin of aspects of Heisenberg's 1925 paper on the "Quantum-theoretical Reformulation (Umdeutung) of Kinematical and Mechanical Relations."

Optimal ancilla-free Pauli+V circuits for axial rotations

International Nuclear Information System (INIS)

Blass, Andreas; Bocharov, Alex; Gurevich, Yuri

2015-01-01

We address the problem of optimal representation of single-qubit rotations in a certain unitary basis consisting of the so-called V gates and Pauli matrices. The V matrices were proposed by Lubotsky, Philips, and Sarnak [Commun. Pure Appl. Math. 40, 401–420 (1987)] as a purely geometric construct in 1987 and recently found applications in quantum computation. They allow for exceptionally simple quantum circuit synthesis algorithms based on quaternionic factorization. We adapt the deterministic-search technique initially proposed by Ross and Selinger to synthesize approximating Pauli+V circuits of optimal depth for single-qubit axial rotations. Our synthesis procedure based on simple SL 2 (ℤ) geometry is almost elementary

Influence of the Pauli principle on the two-phonon states

International Nuclear Information System (INIS)

Djolos, R.V.; Molina, J.L.; Soloviev, V.G.

1979-01-01

It is shown that the commutation relations between quasiparticles forming phonons can correctly be taken into account within the quasiparticle-phonon nuclear model. The case of the even-even deformed nuclei is studied. Exact and approximate secular equations are obtained. The corrections arising due to the Pauli principle are shown to be large for the two-phonon components of the wave functions, when the phonons are identical. The influence of the Pauli principle on the energies of the two-phonon states and radiative strength functions requires further investigation [ru

Effects of Pauli's principle in the. cap alpha. - /sup 16/O elastic scattering

Energy Technology Data Exchange (ETDEWEB)

Schechter, H; Canto, L F; Breitschaft, A M

1986-03-01

'Exact' microscopic methods like the RGM (Resonating Group Method) and the GCM (Generator Coordinate Method) and approximate methods like the OCM (Orthogonality Condition Model) are used to study the effects of Pauli's Principle in the ..cap alpha..-/sup 16/O elastic scattering. A method to derive 'exact' effective potentials for the OCM is introduced. These potentials, derived from RGM wave functions, make the OCM identical to the RGM and they have the advantage of being free from poles associated to the forbidden states. Numerical calculations are made with V2 and B1 nucleon-nucleon forces at energies in the range 0-30 MeV. The potentials and the resulting phase-shifts are compared to those obtained from the approximate method suggested by Friedrich and Canto. The problem of searching for local, state independent, potentials for the OCM is discussed.

Optimal ancilla-free Pauli+V circuits for axial rotations

Energy Technology Data Exchange (ETDEWEB)

Blass, Andreas [Mathematics, University of Michigan, Ann Arbor, Michigan 48109-1043 (United States); Bocharov, Alex; Gurevich, Yuri [Microsoft Research, Redmond, Washington 98052 (United States)

2015-12-15

We address the problem of optimal representation of single-qubit rotations in a certain unitary basis consisting of the so-called V gates and Pauli matrices. The V matrices were proposed by Lubotsky, Philips, and Sarnak [Commun. Pure Appl. Math. 40, 401–420 (1987)] as a purely geometric construct in 1987 and recently found applications in quantum computation. They allow for exceptionally simple quantum circuit synthesis algorithms based on quaternionic factorization. We adapt the deterministic-search technique initially proposed by Ross and Selinger to synthesize approximating Pauli+V circuits of optimal depth for single-qubit axial rotations. Our synthesis procedure based on simple SL{sub 2}(ℤ) geometry is almost elementary.

Pauli-spin blockade in a vertical double quantum dot holding two to five electrons

International Nuclear Information System (INIS)

Kodera, T; Arakawa, Y; Tarucha, S; Ono, K; Amaha, S

2009-01-01

We use a vertical double quantum dot (QD) to study spin blockade (SB) for the two-to five-electron states. SB observed for the two- and four-electron states is both assigned to Pauli exclusion with formation of a spin triplet state, and lifted by singlet-triplet admixing due to fluctuating nuclear field. SB observed for the five-electron state is caused by combined Pauli effect and Hund's rule. We observe a hysteretic behavior of the SB leakage current for up and down sweep of magnetic field, and argue that SB and its lifting by hyperfine interaction are subtle with the spin configuration and modified depending on the inter-dot detuning and number of electrons.

On the checking of electric charge conservation law and the pauli principle

International Nuclear Information System (INIS)

Okun', L.B.

1989-01-01

This is a short critical review of the attempts to check the accuracy with which are carried out in experiment the electric charge conservation law and the Pauli principle. The absence of the inwardly noncontradictory phenomenological theory is emphasized, which could describe the charge conservation and/or the Pauli principle violation. Under charge nonconservation longitudinal photons are of a principal importance. New suggestions concerning the principle Puli checking are discussed

Pauli and The Spin-Statistics Theorem

International Nuclear Information System (INIS)

Duck, Ian; Sudarshan, E.C.G.

1998-03-01

This book makes broadly accessible an understandable proof of the infamous spin-statistics theorem. This widely known but little-understood theorem is intended to explain the fact that electrons obey the Pauli exclusion principle. This fact, in turn, explains the periodic table of the elements and their chemical properties.Therefore, this one simply stated fact is responsible for many of the principal features of our universe, from chemistry to solid state physics to nuclear physics to the life cycle of stars.In spite of its fundamental importance, it is only a slight exaggeration to say that 'everyone knows the spin-statistics theorem, but no one understands it'. This book simplifies and clarifies the formal statements of the theorem, and also corrects the invariably flawed intuitive explanations which are frequently put forward. The book will be of interest to many practising physicists in all fields who have long been frustrated by the impenetrable discussions on the subject which have been available until now.It will also be accessible to students at an advanced undergraduate level as an introduction to modern physics based directly on the classical writings of the founders, including Pauli, Dirac, Heisenberg, Einstein and many others

Generalized Pauli constraints in small atoms

Science.gov (United States)

Schilling, Christian; Altunbulak, Murat; Knecht, Stefan; Lopes, Alexandre; Whitfield, James D.; Christandl, Matthias; Gross, David; Reiher, Markus

2018-05-01

The natural occupation numbers of fermionic systems are subject to nontrivial constraints, which include and extend the original Pauli principle. A recent mathematical breakthrough has clarified their mathematical structure and has opened up the possibility of a systematic analysis. Early investigations have found evidence that these constraints are exactly saturated in several physically relevant systems, e.g., in a certain electronic state of the beryllium atom. It has been suggested that, in such cases, the constraints, rather than the details of the Hamiltonian, dictate the system's qualitative behavior. Here, we revisit this question with state-of-the-art numerical methods for small atoms. We find that the constraints are, in fact, not exactly saturated, but that they lie much closer to the surface defined by the constraints than the geometry of the problem would suggest. While the results seem incompatible with the statement that the generalized Pauli constraints drive the behavior of these systems, they suggest that the qualitatively correct wave-function expansions can in some systems already be obtained on the basis of a limited number of Slater determinants, which is in line with numerical evidence from quantum chemistry.

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

International Nuclear Information System (INIS)

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

2009-01-01

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Historic physics reprints come home : six boxes of historic reprints have returned home to Pauli's Library

CERN Multimedia

Maximilien Brice

2005-01-01

The 146 items - preprints by Born, Bohr, Heisenberg and others some with dedications to Pauli from the author - had been part of the personal library of the Nobel prize-winning physicist, Wolfgang Pauli.

Experimental Tests of Quantum Mechanics: Pauli Exclusion Principle and Spontaneous Collapse Models

CERN Document Server

Petrascu, Catalina Curceanu; Bragadireanu, Mario; Clozza, Alberto; Guaraldo, Carlo; Iliescu, Mihai; Rizzo, Alessandro; Vidal, Antonio Romero; Scordo, Alessandro; Sirghi, Diana Laura; Sirghi, Florin; Sperandio, Laura; Doce, Oton Vazquez; Bassi, Angelo; Donadi, Sandro; Milotti, Edoardo; Laubenstein, Matthias; Bertolucci, Sergio; Bragadireanu, Mario; Curceanu, Catalina; Pietreanu, Dorel; Ponta, Titus; Cargnelli, Michael; Ishiwatari, Tomoichi; Marton, Johann; Widmann, Eberhard; Zmeskal, Johann; Matteo, Sergio di; Egger, Jean Pierre

2014-01-01

The Pauli exclusion principle (PEP), as a consequence or the spin-statistics connection, is one of the basic principles of the modern physics. Being at the very basis of our understanding of matter, it spurs a lively debate on its possible limits, deeply rooted as it is in the very foundations of Quantum Field Theory. The VIP (VIolation of the Pauli exclusion principle) experiment is searching for a possible small violation of the PEP for electrons, using the method of searching for Pauli Exclusion Principle forbidden atomic transitions in copper. We describe the experimental method and the obtained results; we briefly present future plans to go beyond the actual limit by upgrading the experiment using vetoed new spectroscopic fast Silicon Drift Detectors. We also mention the possibility of using a similar experimental technique to search for possible X-rays generated in the spontaneous collapse models of quantum mechanics.

On the effects of the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian

International Nuclear Information System (INIS)

Badnell, N.R.

1997-01-01

We have incorporated the two-body non-fine-structure operators of the Breit-Pauli Hamiltonian, namely contact spin-spin, two-body Darwin and orbit-orbit, into the program AUTOSTRUCTURE. Illustrative results are presented, including some for reactions involving the process of autoionization. (author)

Pion-nucleus scatter and the Pauli principle

International Nuclear Information System (INIS)

Dover, C.B.; Lemmer, R.H.

1976-01-01

A density expansion of the pion self-energy for pions in nuclear matter is reexamined. It is shown that a single hole-line expansion of the self-energy (i) is equivalent to using a strongly quenched πN scattering amplitude in the medium, and (ii) results in an inconsistent treatment of the virtual pions necessarily present in a field-theoretic description of the problem. Exchange of intermediate pions gives rise to nucleon-nucleon, as well as pion-nucleon scattering diagrams that both contribute to the pion self-energy in an essential way. The nucleon-nucleon scattering proceeds, for instance, via a one-pion-exchange potential that is, however, highly nonstatic for energy transfers between nucleons close to the incident energy. Such interactions are singled out automatically for special treatment in a field-theory approach to the problem, and should not be introduced in an ad hoc manner as part of an empirical NN interaction in nuclear matter. We evaluate the coherent and charge exchange contributions to the pion-nucleus optical potential, proportional to the total density and the neutron-proton density difference, respectively. The Pauli principle is found to provide a small correction to the coherent part, both in the hole-line and density expansion formalisms. However, the charge exchange part of the potential is almost completely damped at low energies in the hole-line expansion, while the inclusion of backward-going graphs (random-phase-approximation-type correlations) restores it to its value based on free space πN charge exchange amplitudes (i.e., no net Pauli effect)

Generalized field quantization and the Pauli principle

International Nuclear Information System (INIS)

Govorkov, A.B.

1990-01-01

The work is an attempt to prove that the generalized Pauli principle (i.e. Fermi statistics) for the half-integer spin fields and the Bose statistics for the integer spin fields with allowance for the existence of internal gauge symmetries are consequences of more general assumptions of the local quantum field theory. 32 refs.; 1 tab

Testing the Pauli Exclusion Principle for electrons at LNGS

CERN Document Server

Shi, H.; Bertolucci, S.; Berucci, C.; Bragadireanu, A.M.; Cargnelli, M.; Clozza, A.; Curceanu, C.; De Paolis, L.; Di Matteo, S.; d'Uffizi, A.; Egger, J.-P.; Guaraldo, C.; Iliescu, M.; Ishiwatari, T.; Marton, J.; Laubenstein, M.; Milotti, E.; Pietreanu, D.; Piscicchia, K.; Ponta, T.; Romero Vidal, A.; Sbardella, E.; Scordo, A.; Sirghi, D.L.; Sirghi, F.; Sperandio, L.; Vazquez Doce, O.; Widmann, E.; Zmeskal, J.

High-precision experiments have been done to test the Pauli exclusion principle (PEP) for electrons by searching for anomalous $K$-series X-rays from a Cu target supplied with electric current. With the highest sensitivity, the VIP (VIolation of Pauli Exclusion Principle) experiment set an upper limit at the level of $10^{-29}$ for the probability that an external electron captured by a Cu atom can make the transition from the 2$p$ state to a 1$s$ state already occupied by two electrons. In a follow-up experiment at Gran Sasso, we aim to increase the sensitivity by two orders of magnitude. We show proofs that the proposed improvement factor is realistic based on the results from recent performance tests of the detectors we did at Laboratori Nazionali di Frascati (LNF).

Influence of Pauli principle and polarization on 16O + 16O interaction potential

International Nuclear Information System (INIS)

Nesterov, V.A.

2012-01-01

In the work have studied the dependence of the interaction potential on taking into account the Pauli principle as well as monopole and quadrupole polarization within approaches based on the energy-density formalism and two-center shell model wave functions for 16 O + 16 O system. In the adiabatic approximation it is shown that the contribution of the Pauli principle and polarization in colliding nuclei radically changes the behavior of interaction potential

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

NARCIS (Netherlands)

KHOMSKII, D

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

Standing together in troubled times unpublished letters by Pauli, Einstein, Franck and others

CERN Document Server

2017-01-01

This captivating book is a story of the friendship between a genius physicist Wolfgang Pauli and Charlotte Houtermans whose career in physics was not as glamorous. They met in the late 1920s in Germany, at the very onset of the quantum era and personally knew all the major players in the emergent quantum world that was very much part of central Europe: Germany, Austria, Hungary, Denmark and Switzerland. And Charlotte was a student at Göttingen that was right at the heart.Caught between two evils — Soviet Communism and German National Socialism — she would have probably perished if it were not for the brotherhood of physicists: Niels Bohr, Wolfgang Pauli, Albert Einstein, James Franck, Max Born, Robert Oppenheimer and many other noted scientists who tried to save friends and colleagues (either leftist sympathizers or Jews) who were in mortal danger of being entrapped in a simmering pre-WWII Europe.Using newly discovered documents from the Houtermans family archive: twenty three Pauli's letters to Charlott...

Dual excitation acoustic paramagnetic logging tool

Energy Technology Data Exchange (ETDEWEB)

Vail, III, William B. (Bothell, WA)

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.

Elaboration of the recently proposed test of Pauli's principle under strong interactions

International Nuclear Information System (INIS)

Ktorides, C.N.; Myung, H.C.; Santilli, R.M.

1980-01-01

The primary objective of this paper is to stimulate the experimental verification of the validity or invalidity of Pauli's principle under strong interactions. We first outline the most relevant steps in the evolution of the notion of particle. The spin as well as other intrinsic characteristics of extended, massive, particles under electromagnetic interactions at large distances might be subjected to a mutation under additional strong interactions at distances smaller than their charge radius. These dynamical effects can apparently be conjectured to account for the nonpointlike nature of the particles, their necessary state of penetration to activate the strong interactions, and the consequential emergence of broader forces which imply the breaking of the SU(2)-spin symmetry. We study a characterization of the mutated value of the spin via the transition from the associative enveloping algebra of SU(2) to a nonassociative Lie-admissible form. The departure from the original associative product then becomes directly representative of the breaking of the SU(2)-spin symmetry, the presence of forces more general than those derivable from a potential, and the mutated value of the spin. In turn, such a departure of the spin from conventional quantum-mechanical values implies the inapplicability of Pauli's exclusion principle under strong interactions, because, according to this hypothesis, particles that are fermions under long-range electromagnetic interactions are no longer fermions under these broader, short-range, forces. In nuclear physics possible deviations from Pauli's exclusion principle can at most be very small. These experimental data establish that, for the nuclei considered, nucleons are in a partial state of penetration of their charge volumes although of small statistical character

Exact multiple scattering theory of two-nucleus collisions including the Pauli principle

International Nuclear Information System (INIS)

Gurvitz, S.A.

1981-01-01

Exact equations for two-nucleus scattering are derived in which the effects of the Pauli principle are fully included. Our method exploits a modified equation for the scattering of two identical nucleons, which is obtained at the beginning. Considering proton-nucleus scattering we found that the resulting amplitude has two components, one resembling a multiple scattering series for distinguishable particles, and the other a distorted (A-1) nucleon cluster exchange. For elastic pA scattering the multiple scattering amplitude is found in the form of an optical potential expansion. We show that the Kerman-McManus-Thaler theory of the optical potential could be easily modified to include the effects of antisymmetrization of the projectile with the target nucleons. Nucleus-nucleus scattering is studied first for distinguishable target and beam nucleus. Afterwards the Pauli principle is included, where only the case of deuteron-nucleus scattering is discussed in detail. The resulting amplitude has four components. Two of them correspond to modified multiple scattering expansions and the others are distorted (A-1)- and (A-2)- nucleon cluster exchange. The result for d-A scattering is extended to the general case of nucleus-nucleus scattering. The equations are simple to use and as such constitute an improvement over existing schemes

Pauli principle role in the description of collective non-rotational states of deformed nuclei

International Nuclear Information System (INIS)

Solov'ev, V.G.; Shirikova, N.Yu.; Serdyukova, S.I.; Meliev, F.; Nesterenko, V.O.

1981-01-01

The Pauli principle role account for one-phonon and two- phonon states of even-even deformed nuclei sup(160, 164)Dy, sup(230, 232)Th, 154 Gd, 240 Pu, 238 U is performed. With account of isoscalar part of multipole-multipole interaction hamiltonian of a model and basic equations for energy and wave functions of one-phonon and two-phonon states are obtained. The results of calculations of centroids of energies of two-phonon states of the (lambda 1 μ 1 i 1 lambda 2 μ 2 i 2 ) type with and without the Pauli principle are tabulated. The calculations performed have shown that the energy centroids shift of collective two-phonon states with the Pauli-principle account is characteristic for all even-even deformed nuclei. In the authors opinion additional experimental investigations of 154 Cd, 164 Dy, 240 Pu two-phonon nuclei states to confirm theoretical results are necessary [ru

Dosimetry of ionizing radiations by Electron paramagnetic resonance

International Nuclear Information System (INIS)

Azorin N, J.

2005-01-01

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

Paramagnetism and plasma beta in a screw-pinch

International Nuclear Information System (INIS)

Lehnert, B.; Scheffel, J.

1991-02-01

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

Basic equations of the quasiparticle-phonon nuclear model with the effects due to the Pauli principle and the phonon ground state correlations

International Nuclear Information System (INIS)

Nguyen Dinh Dang; Voronov, V.V.

1983-01-01

A system of basic equations of the quasiparticle-phonon model is obtained for energies and a structure of excited states described by the wave functions containing one- and two-phonon components. The effects due to the Pauli principle for two-phonon components and the phonon ground state correlations of a spherical nucleus are taken here into account. The quantitative estimations of these effects are given by a simplified scheme. The relation between these equations with the results from other theoretical approaches is discussed

The role of the Pauli principle in three-cluster systems composed of identical clusters

International Nuclear Information System (INIS)

Lashko, Yu.A.; Filippov, G.F.

2009-01-01

Within the microscopic model based on the algebraic version of the resonating group method the role of the Pauli principle in the formation of continuum wave function of nuclear systems composed of three identical s-clusters has been investigated. Emphasis is placed upon the study of the exchange effects contained in the genuine three-cluster norm kernel. Three-fermion, three-boson, three-dineutron (3d ' ) and 3α systems are considered in detail. Simple analytical method of constructing the norm kernel for 3α system is suggested. The Pauli-allowed basis functions for the 3α and 3d ' systems are given in an explicit form and asymptotic behavior of these functions is established. Complete classification of the eigenfunctions and the eigenvalues of the 12 C norm kernel by the 8 Be=α+α eigenvalues has been given for the first time. Spectrum of the 12 C norm kernel is compared to that of the 5 H system.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-06-15

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

Paramagnetic moments in YBa2Cu3O7−δ nanocomposite films

International Nuclear Information System (INIS)

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

2014-01-01

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

Demonstrating Paramagnetism Using Liquid Nitrogen.

Science.gov (United States)

Simmonds, Ray; And Others

1994-01-01

Describes how liquid nitrogen is attracted to the poles of neodymium magnets. Nitrogen is not paramagnetic, so the attraction suggests that the liquid nitrogen contains a small amount of oxygen, which causes the paramagnetism. (MVL)

Treatment of pauli exclusion operator in G-matrix calculations for hypernuclei

International Nuclear Information System (INIS)

Kuo, T.T.S.; Hao, Jifa

1995-01-01

We discuss a matrix-inversion method for treating the Pauli exclusion operator Q in the hyperon-nucleon G-matrix equation for hypernuclei such as Λ 16 O. A model space consisted of shell-model wave functions is employed. We discuss that it is preferable to employ a free-particle spectrum for the intermediate states of the G matrix. This leads to the difficulty that the G-matrix intermediate states are plane waves and on this representation the Pauli operator Q has a rather complicated structure. A matrix-inversion method for over-coming this difficulty is examined. To implement this method it is necessary to employ a so-called n 3Λ truncation approximation. Numerical calculations using the Juelich B tilde and A tilde potentials have been performed to study the accuracy of this approximation. (author)

Pauli and the spin-statistics theorem

CERN Document Server

Duck, Ian M

1997-01-01

This book makes broadly accessible an understandable proof of the infamous spin-statistics theorem. This widely known but little-understood theorem is intended to explain the fact that electrons obey the Pauli exclusion principle. This fact, in turn, explains the periodic table of the elements and their chemical properties. Therefore, this one simply stated fact is responsible for many of the principal features of our universe, from chemistry to solid state physics to nuclear physics to the life cycle of stars.In spite of its fundamental importance, it is only a slight exaggeration to say that

Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) with Th{sub 7}Fe{sub 3}-type structure

Energy Technology Data Exchange (ETDEWEB)

Misse, Patrick R.N.; Mbarki, Mohammed [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany); Fokwa, Boniface P.T., E-mail: boniface.fokwa@ac.rwth-aachen.de [Institute of Inorganic Chemistry, RWTH Aachen University, 52066 Aachen (Germany)

2012-08-15

Powder samples and single crystals of the new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3}mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. - Graphical abstract: The new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) has been synthesized by arc melting the elements under purified argon atmosphere. Beside the 3d/4d site preference within the whole solid solution, an unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. Highlights: Black-Right-Pointing-Pointer Synthesis of a new boride series fulfilling Vegard Acute-Accent s rule. Black-Right-Pointing-Pointer 3d/4d site preference. Black-Right-Pointing-Pointer Unexpected Ru/Rh site preference. Black-Right-Pointing-Pointer Rh-rich region is Pauli paramagnetic. Black-Right-Pointing-Pointer Ru-rich region is Pauli and temperature-dependent paramagnetic.

Possible experiments to distinguish between different methods of treating the Pauli principle in nuclear potential models

International Nuclear Information System (INIS)

Krolle, D.; Assenbaum, H.J.; Funck, C.; Langanke, K.

1987-01-01

The finite Pauli repulsion model of Walliser and Nakaichi-Maeda and the orthogonality condition model are two microscopically motivated potential models for the description of nuclear collisions which, however, differ from each other in the way they incorporate antisymmetrization effects into the nucleus-nucleus interaction. We have used α+α scattering at low energies as a tool to distinguish between the two different treatments of the Pauli principle. Both models are consistent with the presently available on-shell (elastic) and off-shell (bremsstrahlung) data. We suggest further measurements of α+α bremsstrahlung including the coplanar laboratory differential cross section in Harvard geometry at α-particle angles of around 27 0 and the γ-decay width of the 4 + resonance at E/sub c.m./ = 11.4 MeV, because in both cases the two models make significantly different predictions

Buckling of paramagnetic chains in soft gels

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

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

2016-01-01

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

Is the Pauli exclusion principle the origin of electron localisation?

Science.gov (United States)

Rincón, Luis; Torres, F. Javier; Almeida, Rafael

2018-03-01

In this work, we inquire into the origins of the electron localisation as obtained from the information content of the same-spin pair density, γσ, σ(r2∣r1). To this end, we consider systems of non-interacting and interacting identical Fermions contained in two simple 1D potential models: (1) an infinite potential well and (2) the Kronig-Penney periodic potential. The interparticle interaction is considered through the Hartree-Fock approximation as well as the configuration interaction expansion. Morover, the electron localisation is described through the Kullback-Leibler divergence between γσ, σ(r2∣r1) and its associated marginal probability. The results show that, as long as the adopted method properly includes the Pauli principle, the electronic localisation depends only modestly on the interparticle interaction. In view of the latter, one may conclude that the Pauli principle is the main responsible for the electron localisation.

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-10-15

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

Breit–Pauli atomic structure calculations for Fe XI

International Nuclear Information System (INIS)

Aggarwal, Sunny; Singh, Jagjit; Mohan, Man

2013-01-01

Energy levels, oscillator strengths, and transition probabilities are calculated for the lowest-lying 165 energy levels of Fe XI using configuration-interaction wavefunctions. The calculations include all the major correlation effects. Relativistic effects are included in the Breit–Pauli approximation by adding mass-correction, Darwin, and spin–orbit interaction terms to the non-relativistic Hamiltonian. For comparison with the calculated ab initio energy levels, we have also calculated the energy levels by using the fully relativistic multiconfiguration Dirac–Fock method. The calculated results are in close agreement with the National Institute of Standards and Technology compilation and other available results. New results are predicted for many of the levels belonging to the 3s3p 4 3d and 3s3p 3 3d 2 configurations, which are very important in astrophysics, relevant, for example, to the recent observations by the Hinode spacecraft. We expect that our extensive calculations will be useful to experimentalists in identifying the fine structure levels in their future work

Massive gravity and Fierz-Pauli theory

Energy Technology Data Exchange (ETDEWEB)

Blasi, Alberto [Universita di Genova, Dipartimento di Fisica, Genova (Italy); Maggiore, Nicola [I.N.F.N.-Sezione di Genova, Genoa (Italy)

2017-09-15

Linearized gravity is considered as an ordinary gauge field theory. This implies the need for gauge fixing in order to have well-defined propagators. Only after having achieved this, the most general mass term is added. The aim of this paper is to study of the degrees of freedom of the gauge fixed theory of linearized gravity with mass term. The main result is that, even outside the usual Fierz-Pauli constraint on the mass term, it is possible to choose a gauge fixing belonging to the Landau class, which leads to a massive theory of gravity with the five degrees of freedom of a spin-2 massive particle. (orig.)

Massive gravity and Fierz-Pauli theory

International Nuclear Information System (INIS)

Blasi, Alberto; Maggiore, Nicola

2017-01-01

Linearized gravity is considered as an ordinary gauge field theory. This implies the need for gauge fixing in order to have well-defined propagators. Only after having achieved this, the most general mass term is added. The aim of this paper is to study of the degrees of freedom of the gauge fixed theory of linearized gravity with mass term. The main result is that, even outside the usual Fierz-Pauli constraint on the mass term, it is possible to choose a gauge fixing belonging to the Landau class, which leads to a massive theory of gravity with the five degrees of freedom of a spin-2 massive particle. (orig.)

New experimental limit on Pauli exclusion principle violation by electrons (VIP experiment)

Energy Technology Data Exchange (ETDEWEB)

Bartalucci, S [NFN, Laboratori Nazionali di Prascati, C.P. 13, Via E. Fermi 40, I-00044, Frascati (Italy); Bertolucci, S [NFN, Laboratori Nazionali di Prascati, C.P. 13, Via E. Fermi 40, I-00044, Frascati (Italy); Bragadireanu, M [NFN, Laboratori Nazionali di Prascati, C.P. 13, Via E. Fermi 40, I-00044, Frascati (Italy)] (and others)

2007-05-15

The Pauli exclusion principle (PEP) represents one of the basic principles of modern physics and, even if there are no compelling reasons to doubt its validity, it still spurs a lively debate, because an intuitive, elementary explanation is still missing, and because of its unique stand among the basic symmetries of physics. A new limit on the probability that PEP is violated by electrons was estabilished by the VIP (Violation of the Pauli exclusion principle) Collaboration, using the method of searching for PEP forbidden atomic transitions in copper. The preliminary value, 1/2{beta}{sup 2} < 4.5 x 10{sup -28}, represents an improvement of about two orders of magnitude of the previous limit. The goal of VIP is to push this limit at the level of 10{sup -30}.

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

International Nuclear Information System (INIS)

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

1975-01-01

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

Moessbauer effect and electron paramagnetic resonance studies on yeast aconitase

International Nuclear Information System (INIS)

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

1975-01-01

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

Report of an INS two-day meeting on roles of Pauli principle in few-body problems

International Nuclear Information System (INIS)

Kamimura, M.

1993-02-01

This small INS meeting on 'Roles of Pauli Principle in Few-Body Systems' was held on Oct. 30-31, 1991. A lecture was given by Prof. V.I. Kukulin (Moscow State University) on new physics with the quark-based Moscow N-N potential for few-nucleon systems and on microscopic studies of multi-cluster systems. Seven other speakers gave talks on various roles of the Pauli principle in few-body systems, in multi-cluster systems and in heavy-ion reactions. (J.P.N.)

Levitation in paramagnetic liquids

Energy Technology Data Exchange (ETDEWEB)

Dunne, P.A. [School of Physics and CRANN, Trinity Collge, Dublin 2 (Ireland)]. E-mail: pdunne2@tcd.ie; Hilton, J. [School of Physics and CRANN, Trinity Collge, Dublin 2 (Ireland); Coey, J.M.D. [School of Physics and CRANN, Trinity Collge, Dublin 2 (Ireland)

2007-09-15

Magnetic levitation of diamagnetic and paramagnetic substances in a paramagnetic liquid is explored. Materials ranging from graphite to tin and copper can be made to float at ambient temperature in concentrated solutions of dysprosium nitrate, when an electromagnet or four-block permanent magnet array is used to produce a gradient field. Simulations illustrate the stable regions for levitation above the permanent magnets; and a novel eight-block configuration is proposed, which allows denser materials such as gold or lead to be levitated.

Levitation in paramagnetic liquids

International Nuclear Information System (INIS)

Dunne, P.A.; Hilton, J.; Coey, J.M.D.

2007-01-01

Magnetic levitation of diamagnetic and paramagnetic substances in a paramagnetic liquid is explored. Materials ranging from graphite to tin and copper can be made to float at ambient temperature in concentrated solutions of dysprosium nitrate, when an electromagnet or four-block permanent magnet array is used to produce a gradient field. Simulations illustrate the stable regions for levitation above the permanent magnets; and a novel eight-block configuration is proposed, which allows denser materials such as gold or lead to be levitated

Application of photon detectors in the VIP2 experiment to test the Pauli Exclusion Principle

CERN Document Server

Pichler, A; Bazzi, M.; Bertolucci, S.; Berucci, C.; Bragadireanu, M.; Cargnelli, M.; Clozza, A.; Curceanu, C.; De Paolis, L.; Di Matteo, S.; D'Ufflzi, A.; Egger, J.P.; Guaraldo, C.; Iliescu, M.; Ishiwatari, T.; Laubenstein, M.; Marton, J.; Milotti, E.; Pietreanu, D.; Piscicchia, K.; Ponta, T.; Sbardella, E.; Scordo, A.; Shi, H.; Sirghi, D.; Sirghi, F.; Sperandio, L.; Vazquez-Doce, O.; Widmann, E.; Zmeskal, J.

2016-01-01

The Pauli Exclusion Principle (PEP) was introduced by the austrian physicist Wolfgang Pauli in 1925. Since then, several experiments have checked its validity. From 2006 until 2010, the VIP (VIolation of the Pauli Principle) experiment took data at the LNGS underground laboratory to test the PEP. This experiment looked for electronic 2p to 1s transitions in copper, where 2 electrons are in the 1s state before the transition happens. These transitions violate the PEP. The lack of detection of X-ray photons coming from these transitions resulted in a preliminary upper limit for the violation of the PEP of $4.7 \\times 10^{-29}$. Currently, the successor experiment VIP2 is under preparation. The main improvements are, on one side, the use of Silicon Drift Detectors (SDDs) as X-ray photon detectors. On the other side an active shielding is implemented, which consists of plastic scintillator bars read by Silicon Photomultipliers (SiPMs). The employment of these detectors will improve the upper limit for the violati...

Pauli principle in the soft-photon approach to proton-proton bremsstrahlung

NARCIS (Netherlands)

Liou, MK; Timmermans, R; Gibson, BF

1996-01-01

A relativistic and manifestly gauge-invariant soft-photon amplitude, which is consistent with the soft-photon theorem and satisfies the Pauli principle, is derived for the proton-proton bremsstrahlung process. This soft-photon amplitude is the first two-u-two-t special amplitude to satisfy all

Model for paramagnetic Fermi systems

International Nuclear Information System (INIS)

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

1983-01-01

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

Giant Faraday effect due to Pauli exclusion principle in 3D topological insulators.

Science.gov (United States)

Paudel, Hari P; Leuenberger, Michael N

2014-02-26

Experiments using ARPES, which is based on the photoelectric effect, show that the surface states in 3D topological insulators (TI) are helical. Here we consider Weyl interface fermions due to band inversion in narrow-bandgap semiconductors, such as Pb1-xSnxTe. The positive and negative energy solutions can be identified by means of opposite helicity in terms of the spin helicity operator in 3D TI as ĥ(TI) = (1/ |p|_ |) β (σ|_ x p|_ ) · z^, where β is a Dirac matrix and z^ points perpendicular to the interface. Using the 3D Dirac equation and bandstructure calculations we show that the transitions between positive and negative energy solutions, giving rise to electron-hole pairs, obey strict optical selection rules. In order to demonstrate the consequences of these selection rules, we consider the Faraday effect due to the Pauli exclusion principle in a pump-probe setup using a 3D TI double interface of a PbTe/Pb₀.₃₁Sn₀.₆₉Te/PbTe heterostructure. For that we calculate the optical conductivity tensor of this heterostructure, which we use to solve Maxwell's equations. The Faraday rotation angle exhibits oscillations as a function of probe wavelength and thickness of the heterostructure. The maxima in the Faraday rotation angle are of the order of mrds.

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

International Nuclear Information System (INIS)

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

2011-01-01

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

The Pauli equation with differential operators for the spin

International Nuclear Information System (INIS)

Kern, E.

1978-01-01

The spin operator s = (h/2) sigma in the Pauli equation fulfills the commutation relation of the angular momentum and leads to half-integer eigenvalues of the eigenfunctions for s. If one tries to express s by canonically conjugated operators PHI and π = ( /i)delta/deltaPHI the formal angular momentum term s = PHIxπ fails because it leads only to whole-integer eigenvalues. However, the modification of this term in the form s = 1/2(π+PHI(PHI π)+PHIxπ) leads to the required result. The eigenfunction system belonging to this differential operator s(PHI, π) consists of (2s + 1) spin eigenfunctions xim(PHI) which are given explicitly. They form a basis for the wave functions of a particle of spin s. Applying this formalism to particles with s = 1/2, agreement is reached with Pauli's spin theory. The function s(PHI, π) follows from the theory of rotating rigid bodies. The continuous spin-variable PHI = ( x, y, z) can be interpreted classically as a 'turning vector' which defines the orientation in space of a rigid body. PHI is the positioning coordinate of the rigid body or the spin coordinate of the particle in analogy to the cartesian coordinate x. The spin s is a vector fixed to the body. (orig.) [de

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

Directory of Open Access Journals (Sweden)

A. Di Bernardo

2015-11-01

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

Searches for the Violation of Pauli Exclusion Principle at LNGS in VIP(-2) experiment

CERN Document Server

Shi, H; Bertolucci, S; Berucci, C; Bragadireanu, A M; Cargnelli, M; Clozza, A; Curceanu, C; De Paolis, L; Di Matteo, S; d'Uffizi, A; Egger, J P; Guaraldo, C; Iliescu, M; Ishiwatari, T; Marton, J; Laubenstein, M; Milotti, E; Pietreanu, D; Piscicchia, K; Ponta, T; Vidal, A.Romero; Sbardella, E; Scordo, A; Sirghi, D L; Sirghi, F; Sperandio, L; Vazquez Doce, O; Widmann, E; Zmeskal, J

2016-01-01

The VIP (Violation of Pauli exclusion principle) experiment and its follow-up experiment VIP-2 at the Laboratori Nazionali del Gran Sasso (LNGS) search for X-rays from Cu atomic states that are prohibited by the Pauli Exclusion Principle (PEP). The candidate events, if they exist, will originate from the transition of a $2p$ orbit electron to the ground state which is already occupied by two electrons. The present limit on the probability for PEP violation for electron is 4.7 $\\times10^{-29}$ set by the VIP experiment. With upgraded detectors for high precision X-ray spectroscopy, the VIP-2 experiment will improve the sensitivity by two orders of magnitude.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-10-15

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

Spectral properties of Pauli operators on the Poincare upper-half plane

International Nuclear Information System (INIS)

Inahama, Yuzuru; Shirai, Shin-ichi

2003-01-01

We investigate the essential spectrum of the Pauli operators (and the Dirac and the Schroedinger operators) with magnetic fields on the Poincare upper-half plane. The magnetic fields under consideration are asymptotically constant (which may be equal to zero), or diverge at infinity. Moreover, the Aharonov-Casher type result is also considered

Effect of the Pauli principle on the excited states of doubly-even deformed nuclei

International Nuclear Information System (INIS)

Jolos, R.V.; Molina, J.L.; Soloviev, V.G.

1980-01-01

It is shown that the commutation relations between the quasiparticles forming phonons can correctly be taken into account within the quasiparticle-phonon nuclear model. The doubly-even deformed nuclei with the isoscalar and isovector multipole-multipole forces are studied. The exact and approximate secular equations are derived. It is shown that the two-phonon poles in the secular equation are shifted due to the Pauli principle. These shifts are large for the two identical collective phonons. In some cases pronounced shifts are found for the poles composed of a low-lying collective phonon and a collective phonon forming the giant resonance. In other cases the shifts are not large, as a rule. (orig.) 891 FKS/orig. 892 MB

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-01-07

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

Collision strengths from ground levels of Ti XIII using relativistic-Breit-Pauli approximation

International Nuclear Information System (INIS)

Mohan, M.; Hibbert, H.; Burke, P.G.; Keenan, F.

1998-09-01

The R-matrix method is used to calculate collision strengths from ground state to the first twenty-six fine structure levels of neon-like titanium by including the relativistic term coupling coefficients in the semi-Breit-Pauli approximation. Configuration interaction wave-functions are used to represent the first fifteen lowest LS-coupled target states in the R-matrix expansion. Results obtained are compared with other calculations. This is the first detailed calculation on this ion in which relativistic, exchange, channel couplings and short-range correlation effects are taken into account. (author)

Induced Orbital Paramagnetism and Paratropism in Closed-Shell Molecules

Science.gov (United States)

Pelloni, Stefano; Lazzeretti, Paolo; Zanasi, Riccardo

2009-07-01

Three-dimensional models of the quantum-mechanical current density induced by a uniform magnetic field in the electron cloud have been obtained for closed-shell systems BeH-, BH, and CH+, characterized by induced orbital paramagnetism, and in planar unsaturated hydrocarbons C4H4 and clamped C8H8, exhibiting π paramagnetism. It is shown that, even for these paramagnetic systems, the paramagnetic contributions to magnetic susceptibilities and nuclear magnetic shielding, customarily taken into account in perturbation theory approaches, can formally be eliminated via the procedure of continuous transformation of the origin of the current density-paramagnetic zero. The definition of magnetic response properties can therefore be recast as a sum of two formally "diamagnetic" terms for any molecule, including systems showing strong induced orbital paramagnetism. It is shown that the paramagnetism in the compounds studied arises from the nodal topology of the electronic wave function. In particular, paratropic vortices circulate about stagnation lines at the intersection of nodal surfaces of the highest-occupied zero-order molecular orbital and corresponding first-order orbital.

On the paramagnetism of spin in the classical limit

International Nuclear Information System (INIS)

Hogreve, H.

1985-12-01

We consider particles with spin 1/2 in external electromagnetic fields. Although in many quantum mechanical situations they show a paramagnetic behaviour, within non-relativistic quantum theory a universal paramagnetic influence of spin fails to be true in general. Here we investigate the paramagnetism of spin in the framework of a classical theory. Applying previous results for the classical limit slash-h→O we obtain a classical expression corresponding to the quantum partition function of Hamiltonians with spin variables. For this classical partition function simple estimates lead to a paramagnetic inequality which demonstrates that indeed in the classical limit the spin shows a general paramagnetic behaviour. (author)

Local conditions for the Pauli potential in order to yield self-consistent electron densities exhibiting proper atomic shell structure

Energy Technology Data Exchange (ETDEWEB)

Finzel, Kati, E-mail: kati.finzel@liu.se [Linköpings University, IFM Department of Physics, 58183 Linköping (Sweden)

2016-01-21

The local conditions for the Pauli potential that are necessary in order to yield self-consistent electron densities from orbital-free calculations are investigated for approximations that are expressed with the help of a local position variable. It is shown that those local conditions also apply when the Pauli potential is given in terms of the electron density. An explicit formula for the Ne atom is given, preserving the local conditions during the iterative procedure. The resulting orbital-free electron density exhibits proper shell structure behavior and is in close agreement with the Kohn-Sham electron density. This study demonstrates that it is possible to obtain self-consistent orbital-free electron densities with proper atomic shell structure from simple one-point approximations for the Pauli potential at local density level.

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-08-15

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

Paramagnetic contrast material

International Nuclear Information System (INIS)

McNamara, M.T.

1987-01-01

Paramagnetic contrast materials have certainly demonstrated clinical utility in a variety of organ systems for improved detection of various neoplastic, inflammatory, infectious, and physiologic abnormalities. Although the more commonly employed extracellular agents, such as Gd-DTPA, have been quite safe and useful, particularly in the CNS, it is almost certain that other substances will achieve more success in various other organs, such as iron oxides in the reticuloendothelial system and persisting extracellular agents in the cardiovascular system. Finally, as MRI technology continues to evolve, producing such exciting new sequences as gradient-echo fast scans, the roles of currently existing and newly discovered paramagnetic pharmaceuticals must be continuously reevaluated both to obtain maximum clinical benefit and to guide the search for newer agents that may further optimize the diagnostic efficacy of MRI

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

Science.gov (United States)

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

2018-02-01

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

Higher covariant derivative Pauli-Villars regularization does not lead to a consistent QCD

Energy Technology Data Exchange (ETDEWEB)

Martin, C P [Universidad Autonoma de Madrid (Spain). Dept. de Fisica Teorica; Ruiz Ruiz, F [Nationaal Inst. voor Kernfysica en Hoge-Energiefysica (NIKHEF), Amsterdam (Netherlands). Sectie H

1994-12-31

We compute the beta function at one loop for Yang-Mills theory using as regulator the combination of higher covariant derivatives and Pauli-Villars determinants proposed by Faddeev and Slavnov. This regularization prescription has the appealing feature that it is manifestly gauge invariant and essentially four-dimensional. It happens however that the one-loop coefficient in the beta function that it yields is not -11/3, as it should be, but -23/6. The difference is due to unphysical logarithmic radiative corrections generated by the Pauli-Villars determinants on which the regularization method is based. This no-go result discards the prescription as a viable gauge invariant regularization, thus solving a long-standing open question in the literature. We also observe that the precsription can be modified so as to not generate unphysical logarithmic corrections, but at the expense of losing manifest gauge invariance. (orig.).

Higher covariant derivative Pauli-Villars regularization does not lead to a consistent QCD

International Nuclear Information System (INIS)

Martin, C.P.; Ruiz Ruiz, F.

1994-01-01

We compute the beta function at one loop for Yang-Mills theory using as regulator the combination of higher covariant derivatives and Pauli-Villars determinants proposed by Faddeev and Slavnov. This regularization prescription has the appealing feature that it is manifestly gauge invariant and essentially four-dimensional. It happens however that the one-loop coefficient in the beta function that it yields is not -11/3, as it should be, but -23/6. The difference is due to unphysical logarithmic radiative corrections generated by the Pauli-Villars determinants on which the regularization method is based. This no-go result discards the prescription as a viable gauge invariant regularization, thus solving a long-standing open question in the literature. We also observe that the precsription can be modified so as to not generate unphysical logarithmic corrections, but at the expense of losing manifest gauge invariance. (orig.)

Theoretical study of the electron paramagnetic resonance ...

Indian Academy of Sciences (India)

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

Symmetric Imidazolium-Based Paramagnetic Ionic Liquids

Science.gov (United States)

2017-11-29

Charts N/A Unclassified Unclassified Unclassified SAR 14 Kamran Ghiassi N/A 1 Symmetric Imidazolium-Based Paramagnetic Ionic Liquids Kevin T. Greeson...NUMBER (Include area code) 29 November 2017 Briefing Charts 01 November 2017 - 30 November 2017 Symmetric Imidazolium-Based Paramagnetic Ionic ... Liquids K. Greeson, K. Ghiassi, J. Alston, N. Redeker, J. Marcischak, L. Gilmore, A. Guenthner Air Force Research Laboratory (AFMC) AFRL/RQRP 9 Antares

About kinetics of paramagnetic radiation malformations in beryllium ceramics

International Nuclear Information System (INIS)

Polyakov, A.I.; Ryabinkin, Yu.A.; Zashkvara, O.V.; Bitenbaev, M.I.; Petukhov, Yu.V.

1999-01-01

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

Role of the pair potential for the saturation of generalized Pauli constraints

Science.gov (United States)

Legeza, Örs; Schilling, Christian

2018-05-01

The dependence of the (quasi-)saturation of the generalized Pauli constraints on the pair potential is studied for ground states of few-fermion systems. For this, we consider spinless fermions in one dimension which are harmonically confined and interact by pair potentials of the form | xi-xj|s with -1 ≤s ≤5 . We use the density matrix renormalization group approach and large orbital basis to achieve the convergence on more than ten digits of both the variational energy and the natural occupation numbers. Our results confirm that the conflict between energy minimization and fermionic exchange symmetry results in a universal and nontrivial quasisaturation of the generalized Pauli constraints (quasipinning), implying tremendous structural simplifications of the fermionic ground state for all s . Those numerically exact results are complemented by an analytical study based on a self-consistent perturbation theory which we develop for this purpose. The respective results for the weak-coupling regime eventually elucidate the singular behavior found for the specific values s =2 ,4 ,..., resulting in an extremely strong quasipinning.

The tree-alpha Faddeev calculation on 12C bound states with a Pauli correct alpha-alpha potential

International Nuclear Information System (INIS)

Kamada, Hiroyuki; Oryu, Shinsho

1986-01-01

The three-alpha model of 12 C is investigated by the Faddeev formalism with the UIM alpha-alpha potential, in which the Pauli effect between two-alpha system was taken into account adequately. The potential can reproduce the on- and off-shell effects of the alpha-alpha interaction by the rank-4 separable type for the S-wave, the rank-3 one for the D-wave, and the rank-2 one for the G-wave, in which two of the ranks in the S-wave, and one in the D-wave are prepared to eliminate the Pauli forbidden states. We obtained three even states J π = 0 + , 2 + , 4 + , and two odd states 1 - , 3 - , below the alpha- 8 Be(0 + g.s) threshold energy. The even parity states gain larger binding energies than those which have been obtained by former Faddeev calculation with the rank-1 Kukulin and Neudatchin (KN) potential. On the other hand, for the odd parity states, we obtained smaller binding energies than the former one. It is found that our Faddeev calculation with the UIM potential does not miss any important low-lying levels of 12 C, in which any spurious states do not appear. (author)

Possibility of experiments using radiation counters for test electron stability and Pauli principle violation in atoms

International Nuclear Information System (INIS)

Barabash, A.S.

1989-01-01

Capabilities of modern radiation detectors for investigation into electron stability and possible violation of Pauli principle in atoms are discussed. For experimental searches of electron instability the following low-background devices are used: scintillation NaI-detectors, semiconducting detectors of enriched germanium, emission chamber, multisection proportional counter and low-temperature detectors. It is ascertained that using modern low-background devices applying the earlier enumerated detectors, it is possible to achieve sensitivity of the order of 10 24 -10 25 years for the electron lifetime relatively to its decay and Pauli principle violation in atoms. Experiments with sensitivity of ∼ 10 26 -10 27 can be realized in massive low-temperature detectors, developed for neutrino physics. 28 refs; 1 fig

The application of electron paramagnetic resonance in biomedical research

International Nuclear Information System (INIS)

Qu Ximei; Wang Liqin; Zhang Wenyi; Liu Zhongchao; Cui Songye; Feng Xin; Jiaoling

2013-01-01

Electron paramagnetic resonance technique has been found more than half a century, for free radicals detection application, it has been applied to various research studies, and promotes the development of the biomedicine. This article summarized the various free radicals measurement by the electron paramagnetic resonance in biology tissue, and the application of the spin labeling and electron paramagnetic resonance imaging technology in biomedicine. (authors)

Study of actinide paramagnetism in solution

International Nuclear Information System (INIS)

Autillo, Matthieu

2015-01-01

The physiochemical properties of actinide (An) solutions are still difficult to explain, particularly the behavioral differences between An(III) and Ln(III). The study of actinide paramagnetic behavior may be a 'simple' method to analyze the electronic properties of actinide elements and to obtain information on the ligand-actinide interaction. The objective of this PhD thesis is to understand the paramagnetic properties of these elements by magnetic susceptibility measurements and chemical shift studies. Studies on actinide electronic properties at various oxidation states in solution were carried out by magnetic susceptibility measurements in solution according to the Evans method. Unlike Ln(III) elements, there is no specific theory describing the magnetic properties of these ions in solution. To obtain accurate data, the influence of experimental measurement technique and radioactivity of these elements was analyzed. Then, to describe the electronic structure of their low energy states, the experimental results were complemented with quantum chemical calculations from which the influence of the ligand field was studied. Finally, these interpretations were applied to better understand the variations in the magnetic properties of actinide cations in chloride and nitrate media. Information about ligand-actinide interactions may be determined from an NMR chemical shift study of actinide complexes. Indeed, modifications induced by a paramagnetic complex can be separated into two components. The first component, a Fermi contact contribution (δ_c) is related to the degree of covalency in coordination bonds with the actinide ions and the second, a dipolar contribution (δ_p_c) is related to the structure of the complex. The paramagnetic induced shift can be used only if we can isolate these two terms. To achieve this study on actinide elements, we chose to work with the complexes of dipicolinic acid (DPA). Firstly, to characterize the geometrical parameters, a

Theoretical model of intravascular paramagnetic tracers effect on tissue relaxation

DEFF Research Database (Denmark)

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

2006-01-01

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

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

International Nuclear Information System (INIS)

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

1976-01-01

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

On kinetics of paramagnetic radiation defects accumulation in beryllium ceramics

International Nuclear Information System (INIS)

Polyakov, A.I.; Ryabikin, Yu.A.; Zashkvara, O.V.; Bitenbaev, M.I.; Petykhov, Yu.V.

1999-01-01

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

Spinor monopole harmonics and the Pauli spin equation

International Nuclear Information System (INIS)

Pereira, J.G.; Ferreira, P.L.

1982-01-01

In the framework of Wu and Yang theory of U(1) magnetic monopoles, two problems are revisited: (i) the binding of spin-0 monopole to a spin-1/2 particle possessing an arbitrary magnetic dipole moment, and (ii) the energy levels and properties of the electron-dyon system. In both problems, the spin-1/2 particle is assumed to obey the Pauli spin equation. Spin-orbit and other higher order terms are treated as a perturbation, in connection with the second mentioned problem. Wu and Yang's spinor monopole harmonics allow an elegant and simplified treatment of those problems. The results obtained are in good agreement with those obtained in older papers. (Author) [pt

Theory of single quantum dot lasers: Pauli-blocking-enhanced anti-bunching

International Nuclear Information System (INIS)

Su, Yumian; Bimberg, Dieter; Carmele, Alexander; Richter, Marten; Knorr, Andreas; Lüdge, Kathy; Schöll, Eckehard

2011-01-01

We present a theoretical model to describe the dynamics of a single semiconductor quantum dot interacting with a microcavity system. The confined quantum dot levels are pumped electrically via a carrier reservoir. The investigated dynamics includes semiconductor-specific, reservoir-induced Pauli-blocking terms in the equations of the photon probability functions. This enables a direct study of the photon statistics of the quantum light emission in dependence on the different pumping rates

Synchronicity - The Link Between Physics and Psyche, from Pauli and Jung to Chopra

Science.gov (United States)

Teodorani, M.

2006-07-01

This book, which is entirely dedicated to the mystery of "synchronicity", is divided into three parts: a) the joint research between analytic psychologist Carl Gustav Jung and quantum physicist Wolfgang Pauli; b) synchronicity mechanisms occurring in the microscopic (canonical quantum entanglement), mesoscopic and macroscopic scales; c) research and philosophy concerning synchronicity by MD Deepak Chopra.

Effects of water on fingernail electron paramagnetic resonance dosimetry.

Science.gov (United States)

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

2016-09-01

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

Electron Paramagnetic Resonance Spectroscopy

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Electron Paramagnetic Resonance Spectroscopy: Biological Applications. B G Hegde. General Article Volume 20 Issue 11 November 2015 pp 1017-1032. Fulltext. Click here to view fulltext PDF. Permanent link:

THE PHENOMENON OF HALF-INTEGER SPIN, QUATERNIONS, AND PAULI MATRICES

Directory of Open Access Journals (Sweden)

FERNANDO R. GONZÁLEZ DÍAZ

2017-01-01

Full Text Available In this paper the phenomenon of half-integer spin exemplification Paul AM Dirac made with a pair of scissors, an elastic cord and chair play. Four examples in which the same phenomenon appears and the algebraic structure of quaternions is related to one of the examples are described. Mathematical proof of the phenomenon using known topological and algebraic results are explained. The basic results of algebraic structures are described quaternions H , and an intrinsic relationship with the phenomenon half-integer spin and the Pauli matrices is established.

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

DEFF Research Database (Denmark)

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

2008-01-01

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

Electron paramagnetic resonance study of Ce doped partially stabilized ZrO2 crystals

Directory of Open Access Journals (Sweden)

Mikhail А. Borik

2017-09-01

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

Electron Paramagnetic Resonance Imaging

Indian Academy of Sciences (India)

Twentieth century bore witness to remarkable scientists whohave advanced our understanding of the brain. Among them,EPR (Electron Paramagnetic Resonance) imaging is particularlyuseful in monitoring hypoxic zones in tumors which arehighly resistant to radiation and chemotherapeutic treatment.This first part of the ...

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

International Nuclear Information System (INIS)

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

1996-01-01

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

Paramagnetic centers in nanocrystalline TiC/C system

International Nuclear Information System (INIS)

Guskos, N.; Bodziony, T.; Maryniak, M.; Typek, J.; Biedunkiewicz, A.

2008-01-01

Electron paramagnetic resonance is applied to study the defect centers in nanocrystalline titanium carbide dispersed in carbon matrix (TiC x /C) synthesized by the non-hydrolytic sol-gel process. The presence of Ti 3+ paramagnetic centers is identified below 120 K along with a minor contribution from localized defect spins coupled with the conduction electron system in the carbon matrix. The temperature dependence of the resonance intensity of the latter signal indicates weak antiferromagnetic interactions. The presence of paramagnetic centers connected with trivalent titanium is suggested to be the result of chemical disorder, which can be further related to the observed anomalous behavior of conductivity, hardness, and corrosion resistance of nanocrystalline TiC x /C

Paramagnetic resonance and electronic conduction in organic semiconductors

International Nuclear Information System (INIS)

Nechtschein, M.

1963-01-01

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

Carl Jung's interpretation of Wolfgang Pauli's dreams: The Bailey Island, Maine, and New York City seminars of 1936 and 1937

Science.gov (United States)

Brown, Richard Paul

This dissertation reviewed the development of Jung's dream theory and addresses the question as to whether or not Jung was influenced by the dreams of the Nobel Prize winning physicist, Wolfgang Pauli. Jung provided an extensive analysis of Pauli's dreams, which are contained in the lightly edited, unpublished transcripts of lectures delivered in 1936 and 1937. An archival and hermeneutic analysis of the texts reveals a staged process of individuation that Jung related to in many ways because of the parallels to his own personal journey toward individuation. A chronological history of the development of Jung's dream theory is presented, followed by a picture of the relationship between Jung and Pauli. Thereafter, a detailed summary of the seminar transcripts, one given on Bailey Island, Maine, and the other in New York City the following year, is offered with hermeneutic commentary. An analysis of the seminars found that Pauli's dreams did, in part, support Jung's theory. Specifically, while Jung was unable to meet the scientific demands for clear empirical evidence of his dream theory, he did offer his professional and non-professional audiences with a slightly less rigorous example of his dream theory in action, demonstrating that the process shared similarities across peoples, time, and cultures. Additionally, in Pauli he found a superior mind that had gone through the process of individuation in accordance with his theory and his own experience. During the course of research, reference to a document was found in the correspondence in the Jungian Archives in Zurich. This document entitled, "FAREWELL SPEECH, Given by Dr. C. G. Jung on the Occasion of a Dinner Given in His Honor by the Analytical Psychology Club of New York City October 26, 1937" and other related documents were subsequently uncovered in the sub-basement of the Kristine Mann Library in New York City. A synopsis of the discovery and description of the papers contained in the file are discussed in

Paramagnetism: an alternative view. Pt. 1

International Nuclear Information System (INIS)

Oudet, X.

1991-01-01

A new calculation of the paramagnetic susceptibility χ is proposed on the basis of the statistical distribution of the thermal energy using the mean value U of this energy as statistical variable. This allows us to replace the molecular field by an equivalent energy barrier that the paramagnetic moment of an atom has to cross to contribute to χ. The variation of χ with U, or T as well, shows a maximum when there is no magnetic order. The asymptotic character of the Curie-Weiss law appears in close connection with that of the Dulong and Petit law. (orig.)

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

Science.gov (United States)

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

2015-09-01

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

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

OpenAIRE

Sugiyama, M

1994-01-01

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

Charting the Real Four-Qubit Pauli Group via Ovoids of a Hyperbolic Quadric of PG(7,2)

Czech Academy of Sciences Publication Activity Database

Saniga, M.; Levay, P.; Pracna, Petr

2012-01-01

Roč. 45, JUL 2012 (2012), s. 295304 ISSN 1751-8113 Institutional support: RVO:61388955 Keywords : Pauli group * structure * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.766, year: 2012

The Innermost Kernel Depth Psychology and Quantum Physics. Wolfgang Pauli's Dialogue with C.G Jung

CERN Document Server

Gieser, Suzanne

2005-01-01

"The Innermost Kernel" recounts the physicist and Nobel Laureate Wolfgang Pauli and his interest in Jungian psychology, philosophy and western world-view. It is also an exploration of the intellectual setting and context of Pauli's thinking, which has its starting point in the cultural and intellectual climate of fin-de-siècle Europe. As a contribution to the general history of quantum physics this study has a special focus on the psychological and philosophical issues discussed by physicists belonging to the Copenhagen school. The work is mainly based on the correspondence of the principle characters and explores some of the central issues discussed there, as for instance the subject-object relation, complementarity, the relation of conscious and unconscious, the process underlying concept-formation, the psychology of scientific discovery, the symbolic world of alchemy, the theories of archetypes and of synchronicity. Ultimately this book is about a remarkable scientist searching for a new understanding of ...

New possibilities for using laser polarimetry technology to study electron paramagnetic resonance

Energy Technology Data Exchange (ETDEWEB)

Aleksandrov, E V; Zapasskii, V S

1982-01-01

Optical methods of recording electron paramagnetic resonance which arose in the early 50's as applied to the problem of recording the magnetic resonance of excited atoms is at the present time widely used in studying the electron paramagnetic resonance of the ground and excited states of free atoms and paramagnetic centers in condensed media. At the present time attention is devoted to the additional possibilities of optical methods of electron paramagnetic resonance which are realized using laser sources.

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

Directory of Open Access Journals (Sweden)

Fei Wang

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

Wolfgang Pauli et l'arrière-plan de la physique

CERN Multimedia

Bringuier, Eric

2003-01-01

"Wolfgang Pauli est l'une des figures scientifiques majeures du XXe siècle. Ses contributions sur la structure de l'atome ont été déterminantes pour l'établissement de la théorie quantique. Mais une grande partie de son activité fut aussi consacrée à une réflexion plus large sur les processus cognitifs. L'une de ses obsessions: trouver un langage commun pour décrire le monde physique et le monde psychique" (3 pages)

From Pauli Matrices to Quantum Ito Formula

International Nuclear Information System (INIS)

Pautrat, Yan

2005-01-01

This paper answers important questions raised by the recent description, by Attal, of a robust and explicit method to approximate basic objects of quantum stochastic calculus on bosonic Fock space by analogues on the state space of quantum spin chains. The existence of that method justifies a detailed investigation of discrete-time quantum stochastic calculus. Here we fully define and study that theory and obtain in particular a discrete-time quantum Ito formula, which one can see as summarizing the commutation relations of Pauli matrices.An apparent flaw in that approximation method is the difference in the quantum Ito formulas, discrete and continuous, which suggests that the discrete quantum stochastic calculus differs fundamentally from the continuous one and is therefore not a suitable object to approximate subtle phenomena. We show that flaw is only apparent by proving that the continuous-time quantum Ito formula is actually a consequence of its discrete-time counterpart

Pauli blocking and laser manipulation of the electron dynamics in atomic collisions

International Nuclear Information System (INIS)

Kirchner, T.

2004-01-01

Full text: The dynamics of ion-atom collisions are governed primarily by the Coulomb interactions between the active electrons and the projectile and target nuclei. This contribution is devoted to the question whether and how other phenomena can modify the outcome of atomic scattering experiments. Firstly, the role of the Pauli exclusion principle on electronic transitions will be considered. Supported by experimental data it will be argued that Pauli blocking may have an important influence on electron transfer processes if collision systems with electrons on target and projectile in the initial channel are addressed [1]. Secondly, it will be discussed to which extent the electron dynamics can be modified and manipulated by an external interaction, namely by a suitable laser field [2]. The prototype scattering system He 2+ -H will be considered in the framework of the semiclassical approximation, i.e., projectile and laser interactions are described in terms of time-dependent external potentials which govern the quantum dynamics of the electron. The focus will be on slow collisions, in which electron transfer dominates, and on relatively short wavelengths such that both time dependent potentials vary on comparable time scales. A strong enhancement of laser-assisted electron transfer is found at collision energies below 1 keV/amu [3]. Its origin and its disappearance at higher energies as well as implications for planned experiments will be discussed

Size-dependent concentration of N0 paramagnetic centres in HPHT nanodiamonds

OpenAIRE

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

2015-01-01

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

From convolutionless generalized master to Pauli master equations

International Nuclear Information System (INIS)

Capek, V.

1995-01-01

The paper is a continuation of previous work within which it has been proved that time integrals of memory function (i.e. Markovian transfer rates from Pauli Master Equations, PME) in Time-Convolution Generalized Master Equations (TC-GME) for probabilities of finding a state of an asymmetric system interacting with a bath with a continuous spectrum are exactly zero, provided that no approximation is involved, irrespective of the usual finite-perturbation-order correspondence with the Golden Rule transition rates. In this paper, attention is paid to an alternative way of deriving the rigorous PME from the TCL-GME. Arguments are given in favor of the proposition that the long-time limit of coefficients in TCL-GME for the above probabilities, under the same assumption and presuming that this limit exists, is equal to zero. 11 refs

Supersymmetric Runge-Lenz-Pauli vector for Dirac vortex in topological insulators and graphene

International Nuclear Information System (INIS)

Lu, Chi-Ken; Herbut, Igor F

2011-01-01

The Dirac mass-vortex at the surface of a topological insulator or in graphene is considered. Within the linear approximation for the vortex amplitude's radial dependence, the spectrum is a series of degenerate bound states, which can be classified by a set of accidental SU(2) and supersymmetry generators (Herbut and Lu 2011 Phys. Rev. B 83 125412). Here we discuss further the properties and manifestations of the supersymmetry of the vortex Hamiltonian, and point out some interesting analogies with the Runge-Lenz-Pauli vector in the non-relativistic hydrogen atom. Symmetry-breaking effects due to a finite chemical potential and the Zeeman field are also analyzed. We find that a residual accidental degeneracy remains only in the special case of equal magnitudes of both terms; otherwise it is removed entirely.

Heisenberg (and Schrödinger, and Pauli) on hidden variables

Science.gov (United States)

Bacciagaluppi, Guido; Crull, Elise

In this paper, we discuss various aspects of Heisenberg's thought on hidden variables in the period 1927-1935. We also compare Heisenberg's approach to others current at the time, specifically that embodied by von Neumann's impossibility proof, but also views expressed mainly in correspondence by Pauli and by Schrödinger. We shall base ourselves mostly on published and unpublished materials that are known but little-studied, among others Heisenberg's own draft response to the EPR paper. Our aim will be not only to clarify Heisenberg's thought on the hidden-variables question, but in part also to clarify how this question was understood more generally at the time.

Integral equations for composite-particle scattering taking the Pauli principle into account

International Nuclear Information System (INIS)

Kukulin, V.I.; Neudatchin, V.G.; Pomerantsev, V.N.

1978-01-01

An approximate description of a system of three composite particles in terms of the Saito (Prog. Theor. Phys.; 41:705 (1969)) orthogonality condition model is proposed. The orthogonalising pseudopotential technique is used to derive a modified set of Fadde'ev equations where the two- and three-body exchanges due to the Pauli principle are included by orthogonalising to two-and three-body forbidden states. The scope of applicability of and the method for solving the derived equations are discussed briefly. (author)

Quantum theory as a description of robust experiments: Derivation of the Pauli equation

Energy Technology Data Exchange (ETDEWEB)

De Raedt, Hans [Department of Applied Physics, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, NL-9747AG Groningen (Netherlands); Katsnelson, Mikhail I.; Donker, Hylke C. [Radboud University Nijmegen, Institute for Molecules and Materials, Heyendaalseweg 135, NL-6525AJ Nijmegen (Netherlands); Michielsen, Kristel, E-mail: k.michielsen@fz-juelich.de [Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, D-52425 Jülich (Germany); RWTH Aachen University, D-52056 Aachen (Germany)

2015-08-15

It is shown that the Pauli equation and the concept of spin naturally emerge from logical inference applied to experiments on a charged particle under the conditions that (i) space is homogeneous (ii) the observed events are logically independent, and (iii) the observed frequency distributions are robust with respect to small changes in the conditions under which the experiment is carried out. The derivation does not take recourse to concepts of quantum theory and is based on the same principles which have already been shown to lead to e.g. the Schrödinger equation and the probability distributions of pairs of particles in the singlet or triplet state. Application to Stern–Gerlach experiments with chargeless, magnetic particles, provides additional support for the thesis that quantum theory follows from logical inference applied to a well-defined class of experiments. - Highlights: • The Pauli equation is obtained through logical inference applied to robust experiments on a charged particle. • The concept of spin appears as an inference resulting from the treatment of two-valued data. • The same reasoning yields the quantum theoretical description of neutral magnetic particles. • Logical inference provides a framework to establish a bridge between objective knowledge gathered through experiments and their description in terms of concepts.

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

Science.gov (United States)

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

2018-04-05

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2009-06-15

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

Size-dependent concentration of N0 paramagnetic centres in HPHT nanodiamonds

Directory of Open Access Journals (Sweden)

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

2015-12-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2005-07-01

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

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

Science.gov (United States)

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

2016-01-13

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

Ferro-paramagnetic coupled resonant modes in GdEuCuO4

International Nuclear Information System (INIS)

Fainstein, A.; Tovar, M.

1990-01-01

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

Thermalization Time Bounds for Pauli Stabilizer Hamiltonians

Science.gov (United States)

Temme, Kristan

2017-03-01

We prove a general lower bound to the spectral gap of the Davies generator for Hamiltonians that can be written as the sum of commuting Pauli operators. These Hamiltonians, defined on the Hilbert space of N-qubits, serve as one of the most frequently considered candidates for a self-correcting quantum memory. A spectral gap bound on the Davies generator establishes an upper limit on the life time of such a quantum memory and can be used to estimate the time until the system relaxes to thermal equilibrium when brought into contact with a thermal heat bath. The bound can be shown to behave as {λ ≥ O(N^{-1} exp(-2β overline{ɛ}))}, where {overline{ɛ}} is a generalization of the well known energy barrier for logical operators. Particularly in the low temperature regime we expect this bound to provide the correct asymptotic scaling of the gap with the system size up to a factor of N -1. Furthermore, we discuss conditions and provide scenarios where this factor can be removed and a constant lower bound can be proven.

Dynamic polarization in paramagnetic solids and microscopic correlation functions

International Nuclear Information System (INIS)

Boucher, Jean-Paul

1972-01-01

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

Paramagnetic defects in hydrogenated amorphous carbon powders

International Nuclear Information System (INIS)

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

2003-01-01

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

On the impossibility of a small violation of the Pauli principle within the local quantum field theory

International Nuclear Information System (INIS)

Govorkov, A.B.

1988-01-01

It is shown that the local quantum field theory of free fields allows only the generalizations of the conventional quantizations (corresponding to the Fermi and Bose statistics) that correspond to the para-Fermi and para-Bose statistics and does not permit ''small'' violation of the Pauli principle

Modified Sucksmith balances for ferromagnetic and paramagnetic measurements

Energy Technology Data Exchange (ETDEWEB)

Lundquist, N; Myers, H P

1962-02-15

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1994-12-01

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

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

International Nuclear Information System (INIS)

Trimeche, Azer

2013-01-01

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

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

Science.gov (United States)

Pol, Vilas Ganpat

2010-06-15

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

Decay of paramagnetic centers in polyacetylene

International Nuclear Information System (INIS)

Hola, O.

1994-01-01

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

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

Science.gov (United States)

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

2018-05-01

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

Transition from weak ferromagnetism to metamagnetism in the itinerant-electron system Y{sub 1-x}La{sub x}Co{sub 9}Si{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Nishiyama, M; Kohara, T [Graduate School of Material Science, University of Hyogo, Kamigori, Ako-gun, Hyogo 678-1297 (Japan); Nakamura, H [Department of Materials Science and Engineering, Kyoto University, Kyoto 606-8501 (Japan)

2010-01-15

The magnetism of solid solution Yi{sub 1-x}La{sub x}Co{sub 9}Si{sub 4} between strongly enhanced Pauli paramagnetic LaCo{sub 9}Si{sub 4} and weakly ferromagnetic YCo{sub 9}Si{sub 4} has been investigated. The Curie temperature T{sub C} in the ferromagnetic region and the metamagnetic transition field H{sub M} in the paramagnetic region change continuously against x and approach zero at the same composition x {approx_equal} 0.15, suggesting the presence of a critical point from spontaneous to field-induced ferromagnetism.

Improved paramagnetic chelate for molecular imaging with MRI

International Nuclear Information System (INIS)

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

2005-01-01

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

Improved paramagnetic chelate for molecular imaging with MRI

Science.gov (United States)

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

2005-05-01

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

A paramagnetic nearly isodynamic compact magnetic confinement system

International Nuclear Information System (INIS)

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

2001-01-01

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

Radiation-induced electron paramagnetic resonance signal and soybean isoflavones content

International Nuclear Information System (INIS)

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

2012-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-02-15

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

EPR in characterization of seeds paramagnetic species

International Nuclear Information System (INIS)

Luiz, A.P.C.; Mauro, M.F.F.L.; Portugal, K.O.; Barbana, V.M.; Guedes, C.L.B.; Mauro, E. di; Carneiro, C.E.A.; Zaia, D.A.M.; Prete, C.E.C.

2011-01-01

Full text. In Brazil, since 1970s, renewable fuel programs has been developed in order to replace petroleum. Today a program that has been discussed is the bio diesel, which intend to replace diesel fuel, fossil oil, to bio diesel, renewal fuel. As seeds are the basis for production of oil and consequently processed into bio diesel, the goal of this work is to characterize and compare paramagnetic species present in the seeds by Electron Paramagnetic Resonance (EPR). Samples used in this study were seeds of sorghum, barley, corn, peanuts, soy beans, cotton, wheat, oats, mustard, rice, sunflower and turnip. Some paramagnetic species present in soil was also investigated as goethite (FeOOH), hematite (Fe 2 O 3 ), magnetite (Fe 3 O 4 ), and ferrihydrite (Fe 5 HO 8 · 4H 2 O), since, these species present in appreciable quantities in the soil can be present in the seeds and analyzed for comparison. The characterization of these species is essential to understand the EPR seeds spectra. Each sample is placed in a thin quartz tube 4 mm in diameter, and it is inserted into the cavity of the spectrometer at room temperature, at low temperature (77 K) and variable temperature using liquid nitrogen flow and hot flow through a compressor air. It was used as standard Mg O:Mn 2+ , which is also inserted into the cavity. Shortly after the potency is regulated, frequency, amplitude and sweep the field. The spectroscopic analysis by EPR X-band (∼ 9:5GHz), were performed at the Fluorescence and Electron Paramagnetic Resonance Laboratory, Exact Sciences Center, State University of Londrina, Parana state, Brazil, through an EPR spectrometer JEOL brand (JES-PE-3X). In the EPR spectra, spectroscopic factor or g factor and line width were determined in paramagnetic species. Studies from several seeds with EPR technique detected in all of them presence of same complex of Fe 3+ present in the goethite at g ∼ 2, and in the seeds exist free radicals at g = 2:004, at room temperature

EPR in characterization of seeds paramagnetic species

Energy Technology Data Exchange (ETDEWEB)

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

2011-07-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-08-01

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

Development of polarization magneto-optics of paramagnetic crystals

International Nuclear Information System (INIS)

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

1975-01-01

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

Elastic scattering of protons by 16O, 40Ca and 208Pb at 200, 500 and 800 MeV: 2, Effects of vacuum polarization and Pauli blocking corrections

International Nuclear Information System (INIS)

Ottenstein, N.; Wallace, S.J.; Tjon, J.A.

1987-11-01

Dirac impulse approximation predictions for cross sections and spin observables in elastic proton scattering by 40 Ca and 208 Pb at energies of 200, 500 and 800 MeV are presented. The analysis is based on complete sets of Lorentz invariant NN amplitudes determined from a meson exchange model of the nuclear force. Effects of relativistic nuclear densities are explored including estimates of the vacuum polarization corrections based on quantum hadrodynamics. Effects of Pauli blocking are considered using the approximations of Murdock and Horowitz. A good description of the experimental data is obtained over a broad energy range and over a wide variation of nuclear size based on the generalized impulse approximation. Vacuum polarization corrections are found to enhance the agreement between theory and experiment. 18 refs., 8 figs

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

International Nuclear Information System (INIS)

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

1994-01-01

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

Theory of the upper critical field in layered superconductors

International Nuclear Information System (INIS)

Klemm, R.A.; Luther, A.; Beasley, M.R.

1975-01-01

The upper critical field H/subc/ 2 in layered superconductors is calculated from a microscopic theory in which the electrons are assumed to propagate freely within the individual layers subject to scattering off impurities and to propagate via tunneling between the layers. For the magnetic field parallel to the layers, there is a temperature T* 2 /sub parallel/ is thus determined by the combined effects of Pauli paramagnetism and spin-orbit scattering, and for sufficiently strong spin-orbit scattering rates, H/subc/ 2 /sub parallel/(T =0) can greatly exceed the Chandrasekhar-Clogston Pauli limiting field H/subP/. This unusual behavior is found to be most pronounced in the dirty limit for the electron propagation within the layers and when the electrons scatter many times in a given layer before tunneling to an adjacent layer. Our results are also discussed in light of the available experimental data. (auth)

Dating by electron paramagnetic resonance

International Nuclear Information System (INIS)

Poupeau, G.; Rossi, A.M.

1984-01-01

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

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

International Nuclear Information System (INIS)

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

2000-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-04-15

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

Crystal structure and magnetism of UOsAl

Czech Academy of Sciences Publication Activity Database

Andreev, Alexander V.; Daniš, S.; Šebek, Josef; Henriques, Margarida Isabel Sousa; Vejpravová, Jana; Gorbunov, Denis; Havela, L.

2017-01-01

Roč. 428, Apr (2017), s. 144-147 ISSN 0304-8853 R&D Projects: GA ČR GA16-03593S Institutional support: RVO:68378271 Keywords : uranium intermetallics * laves phases * Pauli paramagnetism Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.630, year: 2016

Beyond quantum mechanics? Hunting the 'impossible' atoms (Pauli Exclusion Principle violation and spontaneous collapse of the wave function at test)

CERN Document Server

Piscicchia, K; Bartalucci, S; Bassi, A; Bertolucci, S; Berucci, C; Bragadireanu, A M; Cargnelli, M; Clozza, A; De Paolis, L; Di Matteo, S; Donadi, S; d'Uffizi, A; Egger, J-P; Guaraldo, C; Iliescu, M; Ishiwatari, T; Laubenstein, M; Marton, J; Milotti, E; Pietreanu, D; Ponta, T; Sbardella, E; Scordo, A; Shi, H; Sirghi, D L; Sirghi, F; Sperandio, L; Doce, O Vazquez; Zmeskal, J

2015-01-01

The development of mathematically complete and consistent models solving the so-called "measurement problem", strongly renewed the interest of the scientific community for the foundations of quantum mechanics, among these the Dynamical Reduction Models posses the unique characteristic to be experimentally testable. In the first part of the paper an upper limit on the reduction rate parameter of such models will be obtained, based on the analysis of the X-ray spectrum emitted by an isolated slab of germanium and measured by the IGEX experiment. The second part of the paper is devoted to present the results of the VIP (Violation of the Pauli exclusion principle) experiment and to describe its recent upgrade. The VIP experiment established a limit on the probability that the Pauli Exclusion Principle (PEP) is violated by electrons, using the very clean method of searching for PEP forbidden atomic transitions in copper.

Magneto-Optical Properties of Paramagnetic Superrotors

Science.gov (United States)

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

2015-07-01

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

Intrinsic Electric Dipole Moments of Paramagnetic Atoms: Rubidium and Cesium

OpenAIRE

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

2008-01-01

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

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

International Nuclear Information System (INIS)

Kuznietz, Moshe; Pinto, Haim; Ettedgui, Hanania

1995-01-01

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

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

International Nuclear Information System (INIS)

Chatagnon, B.

1981-01-01

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

Electron paramagnetic resonance of rhyolite and γ-irradiated trona minerals

International Nuclear Information System (INIS)

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

2003-01-01

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

Adsorption and collective paramagnetism

CERN Document Server

Selwood, Pierce W

1962-01-01

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

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

Science.gov (United States)

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

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

Influence of the Pauli exclusion principle and the polarization of nuclei on the nuclear part of the interaction potential in the 40Ca +40Ca system

Science.gov (United States)

Nesterov, V. O.

2018-06-01

In the framework of the energy density method with the use of the wave function of the two-center shell model, the influence of the simultaneous account for the Pauli exclusion principle and the monopole and quadrupole polarizations of nuclei on the nuclear part of the potential of their interaction by the example of the 40Ca +40Ca system is considered. The calculations performed in the framework of the adiabatic approximation show that the consideration of the Pauli exclusion principle and the polarization of nuclei, especially the quadrupole one, essentially affects the nucleus-nucleus interaction potential.

Towards exact solutions of the non-linear Heisenberg-Pauli-Weyl spinor equation

International Nuclear Information System (INIS)

Mielke, E.W.

1980-03-01

In ''color geometrodynamics'' fundamental spinor fields are assumed to obey a GL(2f,C) x GL(2c,C) gauge-invariant nonlinear spinor equation of the Heisenberg-Pauli-Weyl type. Quark confinement, assimilating a scheme of Salam and Strathdee, is (partially) mediated by the tensor ''gluons'' of strong gravity. This hypothesis is incorporated into the model by considering the nonlinear Dirac equation in a curved space-time of hadronic dimensions. Disregarding internal degrees of freedom, it is then feasible, for a particular background space-time, to obtain exact solutions of the spherical bound-state problem. Finally, these solutions are tentatively interpreted as droplet-type solitons and remarks on their interrelation with Wheeler's geon construction are made. (author)

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

International Nuclear Information System (INIS)

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

2003-01-01

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

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

Science.gov (United States)

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

2003-06-01

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

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

Science.gov (United States)

Kozuki, Kohei; Nagashima, Takeshi; Hangyo, Masanori

2011-12-05

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

Efficient eigenvalue determination for arbitrary Pauli products based on generalized spin-spin interactions

Science.gov (United States)

Leibfried, D.; Wineland, D. J.

2018-03-01

Effective spin-spin interactions between ? qubits enable the determination of the eigenvalue of an arbitrary Pauli product of dimension N with a constant, small number of multi-qubit gates that is independent of N and encodes the eigenvalue in the measurement basis states of an extra ancilla qubit. Such interactions are available whenever qubits can be coupled to a shared harmonic oscillator, a situation that can be realized in many physical qubit implementations. For example, suitable interactions have already been realized for up to 14 qubits in ion traps. It should be possible to implement stabilizer codes for quantum error correction with a constant number of multi-qubit gates, in contrast to typical constructions with a number of two-qubit gates that increases as a function of N. The special case of finding the parity of N qubits only requires a small number of operations that is independent of N. This compares favorably to algorithms for computing the parity on conventional machines, which implies a genuine quantum advantage.

Pseudo-potential method for taking into account the Pauli principle in cluster systems

International Nuclear Information System (INIS)

Krasnopol'skii, V.M.; Kukulin, V.I.

1975-01-01

In order to take account of the Pauli principle in cluster systems (such as 3α, α + α + n) a convenient method of renormalization of the cluster-cluster deep attractive potentials with forbidden states is suggested. The renormalization consists of adding projectors upon the occupied states with an infinite coupling constant to the initial deep potential which means that we pass to pseudo-potentials. The pseudo-potential approach in projecting upon the noneigenstates is shown to be equivalent to the orthogonality condition model of Saito et al. The orthogonality of the many-particle wave function to the forbidden states of each two-cluster sub-system is clearly demonstrated

Basic equations of quasiparticle-phonon model of nucleus with account of Pauli principle and phonons interactions in ground state

International Nuclear Information System (INIS)

Voronov, V.V.; Dang, N.D.

1984-01-01

the system of equations, enabling to calculate the energy and the structure of excited states, described by the wave function, containing one- and two-phon components was obtained in the framework of quasiparticlephonon model. The requirements of Pauli principle for two-phonon components and phonon correlation in the ground nucleus state are taken into account

Microassembly using a Cluster of Paramagnetic Microparticles

NARCIS (Netherlands)

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

2013-01-01

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

Paramagnetic probes to study PrNi5?

International Nuclear Information System (INIS)

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

1996-01-01

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

Paramagnetic form factors from itinerant electron theory

International Nuclear Information System (INIS)

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

1985-01-01

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

Paramagnetic resonance and susceptibility of ilmenite, FeTiO3 crystal

Science.gov (United States)

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

1991-01-01

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

Effects of enhanced elongation and paramagnetism on the parameter space of the ignition spherical torus

International Nuclear Information System (INIS)

Strickler, D.J.; Peng, Y-K.M.; Borowski, S.K.; Selcow, E.C.; Miller, J.B.

1985-01-01

The Ignition Spherical Torus (IST) is a small aspect ratio device retaining only indispensable components along the major axis of a tokamak plasma, such as a cooled, normal conductor producing a toroidal magnetic field. The IST is expected to be a cost-effective approach to ignition by taking advantage of low field, large natural plasma elongation, high plasma current, high beta, and tokamak confinement. These result in compact, high-performance devices with relatively simple magnetic systems as compared with ignition tokamaks of larger aspect ratio. The plasma enhancement of the toroidal field on axis, or plasma paramagnetism, is significant in the IST. The use of this plasma-enhanced field in conventional tokamak beta and density limits leads to increased plasma pressure and performance and therefore smaller device size for a given ignition margin

Nonequilibrium ensembles. 3. Spin 1/2 paramagnets

International Nuclear Information System (INIS)

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

1990-07-01

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

Probing Spin Crossover in a Solution by Paramagnetic NMR Spectroscopy.

Science.gov (United States)

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

2017-12-18

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

Fermionic spin liquid analysis of the paramagnetic state in volborthite

Science.gov (United States)

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

2017-10-01

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

Recent results on some columnar paramagnetic metallomesogens

Indian Academy of Sciences (India)

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

Magnetic and transport properties of Sm7Rh3 single crystal

International Nuclear Information System (INIS)

Tsutaoka, Takanori; Noguchi, Daisuke; Nakamori, Yuko; Nakamoto, Go; Kurisu, Makio

2013-01-01

A Sm 7 Rh 3 single crystal with Th 7 Fe 3 -type hexagonal structure was grown by the Czochralski method. The magnetic and transport measurements revealed a uniaxial magnetocrystalline anisotropy in the magnetic susceptibility, magnetization and electrical resistivity. Sm 7 Rh 3 was found to exhibit antiferromagnetic transition at T N =54.0 K and another magnetic transition at T t =25.0 K. The specific heat data clearly showed the bulk nature of paramagnetic to ordered magnetic phase transition by the presence of a sharp peak at T N and a small anomaly at T t . The paramagnetic susceptibility does not obey the Curie–Weiss law, attributing to the temperature independent Van Vleck contribution and Pauli paramagnetism of conduction electrons. Metamagnetic phase transitions were observed along the c-axis in the ordered states. The magnetic field H–temperature T phase diagram was constructed. Anisotropic paramagnetic electrical resistivity showed the small negative temperature coefficients

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

Science.gov (United States)

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

2008-02-01

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

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

Science.gov (United States)

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

2017-09-01

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

Correlation induced paramagnetic ground state in FeAl

Czech Academy of Sciences Publication Activity Database

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

2001-01-01

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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

International Nuclear Information System (INIS)

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

1995-01-01

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

Pauli potential from Heilmann-Lieb electron density obtained by summing hydrogenic closed-shell densities over the entire bound-state spectrum

International Nuclear Information System (INIS)

Bogar, Ferenc; Bartha, Ferenc; Bartha, Ferenc A.; March, Norman H.

2011-01-01

Independently, in the mid-1980s, several groups proposed to bosonize the density-functional theory (DFT) for fermions by writing a Schroedinger equation for the density amplitude ρ(r) 1/2 , with ρ(r) as the ground-state electron density, the central tool of DFT. The resulting differential equation has the DFT one-body potential V(r) modified by an additive term V P (r) where P denotes Pauli. To gain insight into the form of the Pauli potential V P (r), here, we invoke the known Coulombic density, ρ ∞ (r) say, calculated analytically by Heilmann and Lieb (HL), by summation over the entire hydrogenic bound-state spectrum. We show that V P∞ (r) has simple limits for both r tends to infinity and r approaching zero. In particular, at large r, V P∞ (r) precisely cancels the attractive Coulomb potential -Ze 2 /r, leaving V(r)+V P∞ (r) of O(r -2 ) as r tends to infinity. The HL density ρ ∞ (r) is finally used numerically to display V P∞ (r) for all r values.

Influence of the Pauli exclusion principle on scattering properties of cobosons

International Nuclear Information System (INIS)

Thilagam, A.

2015-01-01

We examine the influence of the Pauli exclusion principle on the scattering properties of composite bosons (cobosons) made of two fermions, such as the exciton quasiparticle. The scattering process incorporates boson–phonon interactions that arise due to lattice vibrations. Composite boson scattering rates increase with the entanglement between the two fermionic constituents, which comes with a large number of available single-fermion states. An important role is played by probabilities associated with accommodating an incoming boson among the remaining unoccupied Schmidt modes in the initial composite system. While due attention is given to bi-fermion bosons, the methodology is applicable to any composite boson made up of smaller boson fragments. Due to super-bunching in a system of multiple boson condensates such as bi-bosons, there is enhanced scattering associated with bosons occupying macroscopically occupied Schmidt modes, in contrast to the system of bi-fermion pairs

Depolarization of diffusing spins by paramagnetic impurities

International Nuclear Information System (INIS)

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

1981-01-01

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

A superheterodyne spectrometer for electronic paramagnetic. Resonance

International Nuclear Information System (INIS)

Laffon, J.L.

1963-12-01

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

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

Science.gov (United States)

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

2017-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1999-07-01

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

On superfluorescent generation of coherent radiation in a paramagnet

International Nuclear Information System (INIS)

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

1988-08-01

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

In vivo electron paramagnetic resonance oximetry and applications in the brain

Directory of Open Access Journals (Sweden)

John M Weaver

2017-01-01

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

Enhanced Wireless Power Transmission Using Strong Paramagnetic Response.

Science.gov (United States)

Ahn, Dukju; Kiani, Mehdi; Ghovanloo, Maysam

2014-03-01

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

Observation of superconductivity in BaNb2S5

Science.gov (United States)

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.

Fault-tolerant quantum computing in the Pauli or Clifford frame with slow error diagnostics

Directory of Open Access Journals (Sweden)

Christopher Chamberland

2018-01-01

Full Text Available We consider the problem of fault-tolerant quantum computation in the presence of slow error diagnostics, either caused by measurement latencies or slow decoding algorithms. Our scheme offers a few improvements over previously existing solutions, for instance it does not require active error correction and results in a reduced error-correction overhead when error diagnostics is much slower than the gate time. In addition, we adapt our protocol to cases where the underlying error correction strategy chooses the optimal correction amongst all Clifford gates instead of the usual Pauli gates. The resulting Clifford frame protocol is of independent interest as it can increase error thresholds and could find applications in other areas of quantum computation.

Electron paramagnetic resonance highlights that the oxygen effect contributes to the radiosensitizing effect of paclitaxel.

Directory of Open Access Journals (Sweden)

Fabienne Danhier

Full Text Available BACKGROUND: Paclitaxel (PTX is a potent anti-cancer chemotherapeutic agent and is widely used in the treatments of solid tumors, particularly of the breast and ovaries. An effective and safe micellar formulation of PTX was used to administer higher doses of PTX than Taxol® (the current commercialized drug. We hypothesize that PTX-loaded micelles (M-PTX may enhance tumor radiosensitivity by increasing the tumor oxygenation (pO(2. Our goals were (i to evaluate the contribution of the "oxygen effect" to the radiosensitizing effect of PTX; (ii to demonstrate the therapeutic relevance of the combination of M-PTX and irradiation and (iii to investigate the underlying mechanisms of the observed oxygen effect. METHODOLOGY AND PRINCIPAL FINDINGS: We used (PEG-p-(CL-co-TMC polymeric micelles to solubilize PTX. pO(2 was measured on TLT tumor-bearing mice treated with M-PTX (80 mg/kg using electron paramagnetic resonance (EPR oximetry. The regrowth delay following 10 Gy irradiation 24 h after M-PTX treatment was measured. The tumor perfusion was assessed by the patent blue staining. The oxygen consumption rate and the apoptosis were evaluated by EPR oximetry and the TUNEL assay, respectively. EPR oximetry experiments showed that M-PTX dramatically increases the pO(2 24 h post treatment. Regrowth delay assays demonstrated a synergy between M-PTX and irradiation. M-PTX increased the tumor blood flow while cells treated with M-PTX consumed less oxygen and presented more apoptosis. CONCLUSIONS: M-PTX improved the tumor oxygenation which leads to synergy between this treatment and irradiation. This increased pO(2 can be explained both by an increased blood flow and an inhibition of O(2 consumption.

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

Energy Technology Data Exchange (ETDEWEB)

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

1999-07-01

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

Synchronicité le rapport entre physique et psyché de Pauli et Jung à Chopra

CERN Document Server

Teodorani, Massimo

2015-01-01

De mystérieux événements synchrones semblent parsemer nos vies. Tandis qu'une pensée affleure, un fait, qui renferme toujours un sens profond dont le but est de conduire nos vies vers leur destin, se produit à l'improviste, dans un synchronisme parfait. L'objectif de ce livre est de démontrer que le phénomène de la « synchronicité » est depuis longtemps étudié, en particulier par les physiciens quantiques. Ces recherches plongent leurs racines dans l'alliance durable et harmonieuse entre le grand psychologue analytique Carl Gustav Jung et le physicien quantique Wolfgang Pauli.

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

International Nuclear Information System (INIS)

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

2013-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-07-15

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

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

International Nuclear Information System (INIS)

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

2008-01-01

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

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

International Nuclear Information System (INIS)

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

1989-10-01

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

Multifrequency Electron Paramagnetic Resonance Theory and Applications

CERN Document Server

Misra, Sushil K

2011-01-01

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

Magnon spin Hall magnetoresistance of a gapped quantum paramagnet

NARCIS (Netherlands)

Ulloa, Camilo; Duine, R.A.

2018-01-01

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

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

Czech Academy of Sciences Publication Activity Database

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

2014-01-01

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

Investigation of paramagnetic saturation in lanthanum manganese nitrate

NARCIS (Netherlands)

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

1973-01-01

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

Moessbauer studies on the paramagnetic porton of alkidirat meteorite

International Nuclear Information System (INIS)

Kamal, Huda Mohamed

1995-11-01

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

Electron paramagnetic resonance of transition ions

CERN Document Server

Abragam, Anatole

1970-01-01

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

Dynamical magnetic response of paramagnetic CeFe-2

International Nuclear Information System (INIS)

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

1988-01-01

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

Dynamics in photosynthetic transient complexes studied by paramagnetic NMR spectroscopy

NARCIS (Netherlands)

Scanu, Sandra

2013-01-01

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

Breit-Pauli approximation for highly ionized beryllium-like ions Kr XXXIII, Mo XXXIX and W LXXI

International Nuclear Information System (INIS)

Glass, R.

1979-01-01

Oscillator strengths and transition probabilities were calculated for transitions between the 1s 2 2s 2 , 1s 2 2s 2p and 1s 2 2p 2 states, namely: 1S 0 /sup e/ → 1 P 1 0 ; 1 P 1 0 → 1 D 2 /sup e/; 1 P 1 0 → 1 S 0 /sup e/ and 3 P/sub J/ 0 → 3 P/sub J//sup e/. A common set of radial functions is used. It is found that for allowed transitions the one-electron relativistic operators are more important than the Breit-Pauli corrections

High pressure synthesis, crystal growth and magnetic properties of TiOF

Science.gov (United States)

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.

Moessbauer studies on the paramagnetic porton of alkidirat meteorite

Energy Technology Data Exchange (ETDEWEB)

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

1995-11-01

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

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

Science.gov (United States)

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

2017-08-01

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

Paramagnetic metal complexes as potential relaxation agents for NMR imaging

International Nuclear Information System (INIS)

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

1997-01-01

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

Magnetic susceptibility measurements on Bi - Sn alloys

International Nuclear Information System (INIS)

Mustaffa bin Haji Abdullah

1985-01-01

Magnetic susceptibility measurements on eight samples of tin-rich and three samples of bismuth-rich Bi-Sn alloys were made from 85K to 300K by Faraday's method. The susceptibilities of the eight tin-rich samples are positive and greater than the susceptibility of pure tin. The values are approximately constant at low temperatures but decreasing a little bit with increasing temperature. This result is interpreted as due to the predominant contribution of the Pauli spin paramagnetic susceptibility. A small decrease in susceptibility with temperature is interpreted as due to the effect of the second order term in the expression for spin paramagnetic susceptibility. The fluctuation of the susceptibility for alloys of different composition is interpreted as due to the effect of the density of states at the Fermi levels. The three samples of bismuth-rich alloys show a transition to diamagnetic property, where the diamagnetism is increased with temperature. This result is predominant and due to the diamagnetic contribution from the ions. The increase in susceptibility with temperature is interpreted as due to an increase in the effective radii of the ions due to thermal expansion. (author)

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

Science.gov (United States)

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

2009-05-01

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

Role of spinning electrons in paramagnetic phenomena

International Nuclear Information System (INIS)

Bose, D.M.

1986-06-01

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

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

International Nuclear Information System (INIS)

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

1974-01-01

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

The Pauli principle is sufficient to account for the broad structure in pp → π+d at the invariant mass of 2.41 GeV

International Nuclear Information System (INIS)

Svarc, A.

1992-01-01

The origin of the broad structure in the ratio of the differential cross section at O o and 30 o CMS scattering angle in the pp→π + d process at the invariant mass of 2.41 GeV, which has been extracted using the world collection of experimental data as input, has been analysed. The observed pattern can be generated by a combination of the Pauli principle restrictions upon the helicity amplitudes, combined with their individual and smooth energy behaviour. No assertions regarding additional dibaryon dynamics can be made without accounting for the observed effect. A toy model is presented solely as an illustration. (author)

A direct simulation method for flows with suspended paramagnetic particles

NARCIS (Netherlands)

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

2008-01-01

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

Some examples of utilization of electron paramagnetic resonance in biology

International Nuclear Information System (INIS)

Bemski, G.

1982-10-01

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

Data acquisition system for electronic paramagnetic resonance spectrophotometer

International Nuclear Information System (INIS)

Pena Eguiluz, R.

1992-01-01

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

The Pauli potential in relation to the differential virial theorem with application to experiments on ultracold atomic gases of fermions

International Nuclear Information System (INIS)

March, N.H.

2008-08-01

In early work by the writer introducing the Pauli potential VP (r) into density functional theory, the relation of VP (r) to the, as yet unknown, single-particle kinetic energy density functional was emphasized. Here, because of ongoing experiments on ultracold atomic gases of fermions, an explicit expression for the first derivative of VP (r) for an arbitrary number of closed shells generated by harmonic confinement is derived in terms of the spherically symmetric particle density n(r) and the confining potential. (author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-04-15

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

Intrinsic electric dipole moments of paramagnetic atoms : Rubidium and cesium

NARCIS (Netherlands)

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

2008-01-01

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

Anisotropic Pauli Spin Blockade of Holes in a GaAs Double Quantum Dot

Science.gov (United States)

Wang, Qingwen; Klochan, Oleh; Hung, Jo-Tzu; Culcer, Dimitrie; Farrer, Ian; Ritchie, David; Hamilton, Alex

Electrically defined semiconductor quantum dots are appealing systems for spin manipulation and quantum information processing. Thanks to the weak hyperfine interaction and the strong spin-orbit interaction, heavy-holes in GaAs are promising candidates for all-electrical spin manipulation. However, making stable quantum dots in GaAs has only become possible recently, mainly because of difficulties in device fabrication and device stability. Here we present electrical transport measurements of heavy-holes in a lateral double quantum dot based on a GaAs /AlxGa1 - x As heterostructure. We observe clear Pauli spin blockade and show that the lifting of the spin blockade by an external magnetic field is extremely anisotropic. Numerical calculations of heavy-hole transport through a double quantum dot in the presence of strong spin-orbit interaction demonstrate quantitative agreement with experimental results, which indicates that the observed anisotropy can be explained by the anisotropic hole g-factor and the surface Dresselhaus spin-orbit coupling.

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

International Nuclear Information System (INIS)

Oliveira, Liana Macedo de

1995-01-01

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

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

International Nuclear Information System (INIS)

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

2009-01-01

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

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

KAUST Repository

Parthasarathy, Sudhakar

2013-09-17

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

Introduction to Spin Label Electron Paramagnetic Resonance Spectroscopy of Proteins

Science.gov (United States)

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

2013-01-01

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

Electron paramagnetic resonance (EPR) biodosimetry

International Nuclear Information System (INIS)

Desrosiers, Marc; Schauer, David A.

2001-01-01

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

Paramagnetic pharmaceuticals for functional studies

International Nuclear Information System (INIS)

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

1987-01-01

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

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

Science.gov (United States)

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

2012-10-01

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

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

DEFF Research Database (Denmark)

Murugesan; Cook; Devasahayam

1997-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1963-07-01

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

Electron paramagnetic resonance in Cu-doped ZnO

Science.gov (United States)

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

2016-04-01

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

Paramagnetic ionic liquids for measurements of density using magnetic levitation.

Science.gov (United States)

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

2013-09-03

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

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

CSIR Research Space (South Africa)

Nkosi, SS

2013-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-01-07

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

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

Science.gov (United States)

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

2016-09-01

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

Electron paramagnetic resonance investigation of polycrystalline CaCu3Ti4O12

International Nuclear Information System (INIS)

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

2003-01-01

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

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

CERN Document Server

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

2003-01-01

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

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

KAUST Repository

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

2010-01-01

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

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

Science.gov (United States)

Babailov, Sergey P

2012-02-06

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

Thermal properties of paramagnetic solid helium 3

International Nuclear Information System (INIS)

Goldstein, L.

1983-01-01

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

Electron paramagnetic resonance (EPR) in medical dosimetry

International Nuclear Information System (INIS)

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

2006-01-01

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

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

International Nuclear Information System (INIS)

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

2009-01-01

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

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

Science.gov (United States)

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

2011-09-01

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

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

International Nuclear Information System (INIS)

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

2011-01-01

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

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

Directory of Open Access Journals (Sweden)

Heverton Silva Camargos

2013-01-01

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

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

Science.gov (United States)

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

2017-06-01

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

Application of the Electron paramagnetic resonance to the ionizing radiation dosimetry

International Nuclear Information System (INIS)

Urena N, F.

2000-01-01

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

Paramagnetism in ion-implanted oxides

CERN Document Server

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

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

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

International Nuclear Information System (INIS)

McNamara, M.T.

1987-01-01

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

Two-dimensional superconducting state of monolayer Pb films grown on GaAs(110) in a strong parallel magnetic field.

Science.gov (United States)

Sekihara, Takayuki; Masutomi, Ryuichi; Okamoto, Tohru

2013-08-02

Two-dimensional (2D) superconductivity was studied by magnetotransport measurements on single-atomic-layer Pb films on a cleaved GaAs(110) surface. The superconducting transition temperature shows only a weak dependence on the parallel magnetic field up to 14T, which is higher than the Pauli paramagnetic limit. Furthermore, the perpendicular-magnetic-field dependence of the sheet resistance is almost independent of the presence of the parallel field component. These results are explained in terms of an inhomogeneous superconducting state predicted for 2D metals with a large Rashba spin splitting.

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

Science.gov (United States)

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

2010-03-01

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

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

International Nuclear Information System (INIS)

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

1988-01-01

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

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

International Nuclear Information System (INIS)

Pereira, J.J.C.R.

1976-08-01

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

Electron paramagnetic resonance investigations of carbon-doped β rhombohedral boron

International Nuclear Information System (INIS)

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

1979-01-01

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

Retrospective dosimetry of nail by Electron Paramagnetic Resonance

International Nuclear Information System (INIS)

Giannoni, Ricardo A.; Rodrigues Junior, Orlando

2015-01-01

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

The two-fermion relativistic wave equations of Constraint Theory in the Pauli-Schroedinger form

International Nuclear Information System (INIS)

Mourad, J.; Sazdjian, H.

1994-01-01

The two-fermion relativistic wave equations of Constraint Theory are reduced, after expressing the components of the 4x4 matrix wave function in terms of one of the 2x2 components, to a single equation of the Pauli-Schroedinger type, valid for all sectors of quantum numbers. The potentials that are present belong to the general classes of scalar, pseudoscalar and vector interactions and are calculable in perturbation theory from Feynman diagrams. In the limit when one of the masses becomes infinite, the equation reduces to the two-component form of the one-particle Dirac equation with external static potentials. The Hamiltonian, to order 1/c 2 , reproduces most of the known theoretical results obtained by other methods. The gauge invariance of the wave equation is checked, to that order, in the case of QED. The role of the c.m. energy dependence of the relativistic interquark confining potential is emphasized and the structure of the Hamiltonian, to order 1/c 2 , corresponding to confining scalar potentials, is displayed. (authors). 32 refs., 2 figs

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

DEFF Research Database (Denmark)

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

2017-01-01

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

Magnetic nanoparticle imaging using multiple electron paramagnetic resonance activation sequences

International Nuclear Information System (INIS)

Coene, A.; Dupré, L.; Crevecoeur, G.

2015-01-01

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

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

International Nuclear Information System (INIS)

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

2010-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Flores, Marco; Wajnberg, Eliane; Bemski, George

1997-11-01

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

High temperature magnetic susceptibility of the Nb-H system

International Nuclear Information System (INIS)

Welter, J.-M.

1983-01-01

The magnetic susceptibility chi(T,x) of various NbHsub(x) specimens with 0 - 5 to 1.25 x 10 - 5 cm 3 g - 1 in this hydrogen concentration range and exhibits a marked break at x approximately 0.6. An estimate of the Pauli paramagnetic spin susceptibility chisub(P) for the two limiting concentrations allowed the evaluation of the orbital paramagnetic susceptibility chisub(O). For x = 0 and x approximately 0.8 the values of chisub(P) are 1.05 x 10 - 5 cm 3 g - 1 and 0.39 x 10 - 5 cm 3 g - 1 respectively and the values of chisub(O) are 1.73 x 10 - 5 cm 3 g - 1 and 1.08 x 10 - 5 cm 3 g - 1 respectively. The magnetic susceptibility decreases by approximately 10% on going from the concentrated solid solution to the monohydride. (Auth.)

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-09-15

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

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

Science.gov (United States)

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

2014-04-21

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

Paramagnetic hyperfine interactions of iron in solid ammonia from Moessbauer spectroscopy

International Nuclear Information System (INIS)

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

1988-01-01

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

Excitations in the quantum paramagnetic phase of the quasi-one-dimensional Ising magnet CoNb2O6 in a transverse field: Geometric frustration and quantum renormalization effects

Science.gov (United States)

Cabrera, I.; Thompson, J. D.; Coldea, R.; Prabhakaran, D.; Bewley, R. I.; Guidi, T.; Rodriguez-Rivera, J. A.; Stock, C.

2014-07-01

The quasi-one-dimensional (1D) Ising ferromagnet CoNb2O6 has recently been driven via applied transverse magnetic fields through a continuous quantum phase transition from spontaneous magnetic order to a quantum paramagnet, and dramatic changes were observed in the spin dynamics, characteristic of weakly perturbed 1D Ising quantum criticality. We report here extensive single-crystal inelastic neutron scattering measurements of the magnetic excitations throughout the three-dimensional (3D) Brillouin zone in the quantum paramagnetic phase just above the critical field to characterize the effects of the finite interchain couplings. In this phase, we observe that excitations have a sharp, resolution-limited line shape at low energies and over most of the dispersion bandwidth, as expected for spin-flip quasiparticles. We map the full bandwidth along the strongly dispersive chain direction and resolve clear modulations of the dispersions in the plane normal to the chains, characteristic of frustrated interchain couplings in an antiferromagnetic isosceles triangular lattice. The dispersions can be well parametrized using a linear spin-wave model that includes interchain couplings and further neighbor exchanges. The observed dispersion bandwidth along the chain direction is smaller than that predicted by a linear spin-wave model using exchange values determined at zero field, and this effect is attributed to quantum renormalization of the dispersion beyond the spin-wave approximation in fields slightly above the critical field, where quantum fluctuations are still significant.

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

International Nuclear Information System (INIS)

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

1988-01-01

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

CW EPR and 9 GHz EPR imaging investigation of stable paramagnetic species and their antioxidant activities in dry shiitake mushroom (Lentinus edodes).

Science.gov (United States)

Nakagawa, Kouichi; Hara, Hideyuki

2016-01-01

We investigated the antioxidant activities and locations of stable paramagnetic species in dry (or drying) shiitake mushroom (Lentinus edodes) using continuous wave (CW) electron paramagnetic resonance (EPR) and 9 GHz EPR imaging. CW 9 GHz EPR detected paramagnetic species (peak-to-peak linewidth (ΔHpp) = 0.57 mT) in the mushroom. Two-dimensional imaging of the sharp line using a 9 GHz EPR imager showed that the species were located in the cap and shortened stem portions of the mushroom. No other location of the species was found in the mushroom. However, radical locations and concentrations varied along the cap of the mushroom. The 9 GHz EPR imaging determined the exact location of stable paramagnetic species in the shiitake mushroom. Distilled water extracts of the pigmented cap surface and the inner cap of the mushroom showed similar antioxidant activities that reduced an aqueous solution of 0.1 mM 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl. The present results suggest that the antioxidant activities of the edible mushroom extracts are much weaker than those of ascorbic acid. Thus, CW EPR and EPR imaging revealed the location and distribution of stable paramagnetic species and the antioxidant activities in the shiitake mushroom for the first time.

Magnetic properties of the germanides RE3Pt4Ge6 (RE=Y, Pr, Nd, Sm, Gd-Dy)

International Nuclear Information System (INIS)

Eustermann, Fabian; Eilers-Rethwisch, Matthias; Renner, Konstantin; Hoffmann, Rolf-Dieter; Poettgen, Rainer; Janka, Oliver; Oldenburg Univ.

2017-01-01

The germanides RE 3 Pt 4 Ge 6 (RE=Y, Pr, Nd, Sm, Gd-Dy) have been synthesized by arc-melting of the elements followed by inductive annealing to improve the crystallinity and allow for structural order. The compounds have been studied by powder X-ray diffraction; additionally the structure of Y 3 Pt 4 Ge 6 has been refined from single-crystal X-ray diffractometer data. It exhibits a (3+1)D modulated structure, indicating isotypism with Ce 3 Pt 4 Ge 6 . The crystal structure can be described as an intergrowth between YIrGe 2 - and CaBe 2 Ge 2 -type slabs along [100]. Temperature-dependent magnetic susceptibility measurements showed Pauli paramagnetism for Y 3 Pt 4 Ge 6 and Curie-Weiss paramagnetism for Pr 3 Pt 4 Ge 6 and Nd 3 Pt 4 Ge 6 . Sm 3 Pt 4 Ge 6 exhibits van Vleck paramagnetism, while antiferromagnetic ordering at T N =8.1(1) K and T N =11.0(1) K is observed for Gd 3 Pt 4 Ge 6 and Tb 3 Pt 4 Ge 6 , respectively.

Effect of ultraviolet irradiation on free radical scavenging activity of immunosuppressants used in lung transplantation and comparative electron paramagnetic resonance study of kinetics of their interactions with model free radicals.

Science.gov (United States)

Stanjek-Cichoracka, A; Żegleń, S; Ramos, P; Pilawa, B; Wojarski, J

2018-06-01

The immunosuppressive drugs used in solid organ transplantation or autoimmunological processes were studied by electron paramagnetic resonance (EPR) spectroscopy to estimate their free radical scavenging activity. The interactions of immunosuppressants with free radicals were examined by an X-band (9.3 GHz) EPR spectroscopy and a model of DPPH free radicals. The EPR spectra of DPPH and DPPH interacting with individual drugs were compared. Kinetic studies were performed, and the effect of ultraviolet (UV) irradiation on the free radical scavenging activity of the tested drugs was determined. The free radical scavenging activity of non-irradiated drugs decreased in the order: rapamycin > mycophenolate mofetil > ciclosporin > tacrolimus. UV irradiation increased the free radical scavenging activity of all the tested immunosuppressive drugs, and the effect was highest for tacrolimus. For the non-irradiated samples, the speed of free radical interactions decreased in the order: ciclosporin > tacrolimus > mycophenolate mofetil > rapamycin. UV irradiation only slightly affected the speed of interactions of the immunosuppressive drugs with the model DPPH free radicals. Electron paramagnetic resonance spectroscopy is useful for obtaining information on interactions of immunosuppressive drugs with free radicals. We hypothesized that the long-term immunosuppressive effects of these drugs after transplantation or during autoimmune disorders may be mediated by anti-inflammatory action in addition to the known receptor/cell cycle inhibition. © 2018 John Wiley & Sons Ltd.

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

International Nuclear Information System (INIS)

Mazzocchi, V.L.

1992-01-01

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

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

International Nuclear Information System (INIS)

Yucel, S.

1989-01-01

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

Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies

Energy Technology Data Exchange (ETDEWEB)

Horn, Paul R., E-mail: prhorn@berkeley.edu; Mao, Yuezhi; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA and Chemical Sciences Division Lawrence Berkeley National Laboratory Berkeley, California 94720 (United States)

2016-03-21

In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms for test cases that include the neon dimer, ammonia borane, water-Na{sup +}, water-Cl{sup −}, and the naphthalene dimer.

Observable off-shell effects and the Pauli principle in the reactions 4He+deuteron → 4He+deuteron and 4He+deuteron → 4He+neutron+proton

International Nuclear Information System (INIS)

Hahn, K.

1983-01-01

In the present thesis we have studied the system 4 He-neutron-proton. Starting from the microscopic three-cluster model of the resonating group method the Hamiltonian of the optical fish-bone model is defined for the three cluster centers which contains effects from the Pauli principle of the whole six-nucleon system. Beside this microscopically founded Hamiltonian a second, purely phenomenologically defined Hamiltonian is applied, which is only fixed by the phase shifts of the systems neutron-proton and 4 He-nucleon. Both Hamiltonians are phase equivalent in the subsystems, i.e. the scattering waves of the subsystems differ only in the near-range. A comparison of the three-particle scattering observables of both approaches at the incident energies Esub(d)sup(lab) = 7.5 and 12 MeV shows surprisingly strong off-shell effects in the system 4 He-neutron-proton, the order of magnitude of which exceeds both in the elastic and in the breakup case widely the experimental measurement uncertainty. It means that in our system the near-range of the subsystem scattering waves and by this the kind of the reduction of the six-nucleon problem to a three-body problem play an important role. Furthermore we can in the case of the elastic reaction 4 He + deuteron -> 4 He + deuteron for the differential cross sections and the spherical analyzing powers in angular ranges, where the neglected Coulomb interaction should have only little influence, prove, that the microscopically foundes Hamiltonian leads to results which are more realistic than in the case of the phenomenological model. (orig./HSI) [de

Hydrogen absorption in U{sub 3}Si{sub 2} and its impact on electronic properties

Energy Technology Data Exchange (ETDEWEB)

Mašková, Silvie, E-mail: maskova@mag.mff.cuni.cz [Department of Condensed Matter Physics, Charles University, Prague 2, The Czech Republic (Czech Republic); Miliyanchuk, Khrystyna [Department of Inorganic Chemistry, Ivan Franko National University of Lviv, Lviv (Ukraine); Havela, Ladislav [Department of Condensed Matter Physics, Charles University, Prague 2, The Czech Republic (Czech Republic)

2017-04-15

U{sub 3}Si{sub 2} reversibly absorbs hydrogen at very low H{sub 2} pressures (kPa range), yielding U{sub 3}Si{sub 2}H{sub 1.8}. One characteristic desorption temperature implies that there is only one type of H sites. U{sub 3}Si{sub 2} is a weak Pauli paramagnet (χ < 2·10{sup −8} m{sup 3}/mol U) with the shortest inter-uranium distances between the U atoms in different sheets (d{sub U-U} = 332 pm). The volume-expanded (10%) hydride is a spin fluctuator with temperature dependent magnetic susceptibility and a weak ferromagnetic component gradually arising below T = 100 K. The location of U{sub 3}Si{sub 2}H{sub 1.8} at the verge of magnetic ordering is evidenced by the low temperature specific heat with an upturn in C/T and a dramatic enhancement of the Sommerfeld coefficient of electronic specific heat γ, which reaches 500 mJ/mol f.u. K{sup 2}. - Highlights: •U{sub 3}Si{sub 2} can be hydrogenated at very low H{sub 2} pressure, yielding U{sub 3}Si{sub 2}H{sub 1.8}. •The H absorption to a single H-site is reversible. •Hydrogenation leads to the expansion of the unit cell by 10%. •U{sub 3}Si{sub 2} is a weak Pauli paramagnet. •The hydride is a spin fluctuator with temperature dependent magnetic susceptibility.

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

International Nuclear Information System (INIS)

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

1985-01-01

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

Canonical Naimark extension for generalized measurements involving sets of Pauli quantum observables chosen at random

Science.gov (United States)

Sparaciari, Carlo; Paris, Matteo G. A.

2013-01-01

We address measurement schemes where certain observables Xk are chosen at random within a set of nondegenerate isospectral observables and then measured on repeated preparations of a physical system. Each observable has a probability zk to be measured, with ∑kzk=1, and the statistics of this generalized measurement is described by a positive operator-valued measure. This kind of scheme is referred to as quantum roulettes, since each observable Xk is chosen at random, e.g., according to the fluctuating value of an external parameter. Here we focus on quantum roulettes for qubits involving the measurements of Pauli matrices, and we explicitly evaluate their canonical Naimark extensions, i.e., their implementation as indirect measurements involving an interaction scheme with a probe system. We thus provide a concrete model to realize the roulette without destroying the signal state, which can be measured again after the measurement or can be transmitted. Finally, we apply our results to the description of Stern-Gerlach-like experiments on a two-level system.

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

International Nuclear Information System (INIS)

Boehm, R.

1979-01-01

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

Thermodynamically consistent mesoscopic model of the ferro/paramagnetic transition

Czech Academy of Sciences Publication Activity Database

Benešová, Barbora; Kružík, Martin; Roubíček, Tomáš

2013-01-01

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

Electron paramagnetic resonance study of conformational effects in alkyl-substituted 2-cyclohexanonyl radicals in an adamantane matrix

International Nuclear Information System (INIS)

Walter, H.F.

1975-01-01

Electron paramagnetic resonance spectra have been obtained for radicals produced by x-irradiation of cyclohexanone and various alkyl-substituted cyclohexanones trapped in an adamantane matrix. Temperature variation of these spectra permits determination of the enthalpy and entropy of activation for interconversion between the two half-chair conformations. In those cases where the two conformations have intrinsically different energies, the enthalpy and entropy differences between conformations are determined. For 2-cyclohexanonyl radical, the enthalpy of activation is 3.90 +- 0.07 kcal/mole and the entropy of activation is -2.3 +- 0.3 e.u. Methyl substitution on C 3 or C 5 gives a radical with activation parameters similar to the parent radical, indicating moderate realignment of atoms during the conformational change. Methyl substitution on C 4 gives a radical with lower activation parameters, which are interpreted to indicate conformational change mainly be a folding along the diagonal through the radical site. Larger groups attached to C 3 influence enthalpy and entropy differences between conformations much less than when they are attached to C 5 . Very large groups attached to C 5 apparently flatten the ring; it is not known whether or not this is a matrix effect. Deuteration seems to cause a slight reduction in the activation parameters for 2-cyclohexanonyl radical

Upper Critical Field and de Haas-van Alphen Oscillations in KOs2O6 Measured in a Hybrid Magnet

Science.gov (United States)

Taichi Terashima,; Nobuyuki Kurita,; Atsushi Harada,; Kota Kodama,; Jun-ichi Yamaura,; Zenji Hiroi,; Hisatomo Harima,; Shinya Uji,

2010-08-01

Magnetic torque measurements have been performed on a KOs2O6 single crystal in magnetic fields up to 35.3 T and at temperatures down to 0.6 K. The upper critical field is determined to be ˜30 T. De Haas-van Alphen oscillations are observed. A large mass enhancement of (1+λ) = m* / mband = 7.6 is found. It is suggested that, for the large upper critical field to be reconciled with Pauli paramagnetic limiting, the observed mass enhancement must be of electron-phonon origin, including electron-rattling-mode interactions, for the most part.

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

International Nuclear Information System (INIS)

Giannoni, Ricardo A.; Rodrigues Junior, Orlando

2014-01-01

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

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

International Nuclear Information System (INIS)

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

1999-01-01

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

New ternary tantalum borides containing boron dumbbells: Experimental and theoretical studies of Ta2OsB2 and TaRuB

International Nuclear Information System (INIS)

Mbarki, Mohammed; Touzani, Rachid St.; Rehorn, Christian W.G.; Gladisch, Fabian C.; Fokwa, Boniface P.T.

2016-01-01

The new ternary transition metal-rich borides Ta 2 OsB 2 and TaRuB have been successfully synthesized by arc-melting the elements in a water-cooled crucible under an argon atmosphere. The crystal structures of both compounds were solved by single-crystal X-ray diffraction and their metal compositions were confirmed by EDX analysis. It was found that Ta 2 OsB 2 and TaRuB crystallize in the tetragonal Nb 2 OsB 2 (space group P4/mnc, no. 128) and the orthorhombic NbRuB (space group Pmma, no. 51) structure types with lattice parameters a=5.878(2) Å, c=6.857(2) Å and a=10.806(2) Å, b=3.196(1) Å, c=6.312(2) Å, respectively. Furthermore, crystallographic, electronic and bonding characteristics have been studied by density functional theory (DFT). Electronic structure relaxation has confirmed the crystallographic parameters while COHP bonding analysis indicates that B 2 -dummbells are the strongest bonds in both compounds. Moreover, the formation of osmium dumbbells in Ta 2 OsB 2 through a Peierls distortion along the c-axis, is found to be the origin of superstructure formation. Magnetic susceptibility measurements reveal that the two phases are Pauli paramagnets, thus confirming the theoretical DOS prediction of metallic character. Also hints of superconductivity are found in the two phases, however lack of single phase samples has prevented confirmation. Furthermore, the thermodynamic stability of the two modifications of AMB (A=Nb, Ta; M =Ru, Os) are studied using DFT, as new possible phases containing either B 4 - or B 2 -units are predicted, the former being the most thermodynamically stable modification. - Graphical abstract: The two new ternary tantalum borides, Ta 2 OsB 2 and TaRuB, have been discovered. Their crystal structures contain boron dumbbells, which are the strongest bonds. Peirls distortion is found responsible for Os 2 -dumbbells formation in Ta 2 OsB 2 . Ta 2 OsB 2 and TaRuB are Pauli paramagnet and potential superconductors. - Highlights: �

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-28

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-03-15

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

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

International Nuclear Information System (INIS)

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

2012-01-01

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

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

International Nuclear Information System (INIS)

Bemski, G.

1995-03-01

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

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

Science.gov (United States)

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

2017-11-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-05-07

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

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

Science.gov (United States)

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

2016-05-10

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

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

International Nuclear Information System (INIS)

Wu Yiyong; Shi Yaping; Xu Xianbin; Sun Chengyue

2012-01-01

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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

International Nuclear Information System (INIS)

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

2013-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-09-15

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

Contribution to the study of electron paramagnetic resonance and relaxation

International Nuclear Information System (INIS)

Theobald, Jean-Gerard

1962-01-01

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

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

Directory of Open Access Journals (Sweden)

Wenyan Zhang

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

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

Science.gov (United States)

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

2014-04-01

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

Optical and paramagnetic properties of Ti in LiF

International Nuclear Information System (INIS)

Krystek, M.

1982-01-01

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

Multi-photon Rabi oscillations in high spin paramagnetic impurity

International Nuclear Information System (INIS)

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

2011-01-01

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

Magnon Spin Hall Magnetoresistance of a Gapped Quantum Paramagnet

Science.gov (United States)

Ulloa, Camilo; Duine, R. A.

2018-04-01

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

Telegramme sent on June 14 1956 from physicists Fred Reines and Clyde Cowan to Wolfgang Pauli announcing the detection, for the first time, of neutrinos. The Physics Nobel Prize in 1995 was awarded to Reines for this discovery.

CERN Document Server

Maximiliem Brice

2006-01-01

Telegramme sent on June 14 1956 from physicists Fred Reines and Clyde Cowan to Wolfgang Pauli announcing the detection, for the first time, of neutrinos. The Physics Nobel Prize in 1995 was awarded to Reines for this discovery.

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

Energy Technology Data Exchange (ETDEWEB)

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

2003-11-05

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

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

Czech Academy of Sciences Publication Activity Database

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

2017-01-01

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

Gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga. Magnetic and solid state NMR-spectroscopic characterization

Energy Technology Data Exchange (ETDEWEB)

Heletta, Lukas; Seidel, Stefan; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Leipzig Univ. (Germany). Inst. fuer Mineralogie, Kristallographie und Materialwissenschaften; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics

2017-10-01

The gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga have been synthesized by arc-melting of the elements followed by different annealing sequences to improve phase purity. The samples have been studied by powder X-ray diffraction. The structures of Lu{sub 0.97}Rh{sub 2}Ga{sub 1.03} (Fm3m, a=632.94(5) pm, wR2=0.0590, 46 F{sup 2} values, seven variables) and Sc{sub 0.88}Rh{sub 2}Ga{sub 1.12} (a=618.91(4) pm, wR2=0.0284, 44 F{sup 2} values, six variables) have been refined from single crystal X-ray diffractometer data. Both gallides show structural disorder through Lu/Ga and Sc/Ga mixing. Temperature dependent magnetic susceptibility measurements showed Pauli paramagnetism for ScRh{sub 2}Ga, ScPd{sub 2}Ga, and LuRh{sub 2}Ga and Curie-Weiss paramagnetism for TmRh{sub 2}Ga. {sup 45}Sc and {sup 71}Ga solid state MAS NMR spectroscopic investigations of the Sc containing compounds confirmed the site mixing effects typically observed for Heusler phases. The data indicate that the effect of mixed Sc/Ga occupancy is significantly stronger in ScRh{sub 2}Ga than in ScPd{sub 2}Ga.

Single-electron regime and Pauli spin blockade in a silicon metal-oxide-semiconductor double quantum dot

Science.gov (United States)

Rochette, Sophie; Ten Eyck, Gregory A.; Pluym, Tammy; Lilly, Michael P.; Carroll, Malcolm S.; Pioro-Ladrière, Michel

2015-03-01

Silicon quantum dots are promising candidates for quantum information processing as spin qubits with long coherence time. We present electrical transport measurements on a silicon metal-oxide-semiconductor (MOS) double quantum dot (DQD). First, Coulomb diamonds measurements demonstrate the one-electron regime at a relatively high temperature of 1.5 K. Then, the 8 mK stability diagram shows Pauli spin blockade with a large singlet-triplet separation of approximatively 0.40 meV, pointing towards a strong lifting of the valley degeneracy. Finally, numerical simulations indicate that by integrating a micro-magnet to those devices, we could achieve fast spin rotations of the order of 30 ns. Those results are part of the recent body of work demonstrating the potential of Si MOS DQD as reliable and long-lived spin qubits that could be ultimately integrated into modern electronic facilities. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Paramagnetic centers in AlQ3

International Nuclear Information System (INIS)

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

2004-01-01

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

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

International Nuclear Information System (INIS)

Fedodeev, V.I.

1975-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Fedodeev, V I

1975-09-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-09-01

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

Orbitally limited pair-density-wave phase of multilayer superconductors

Science.gov (United States)

Möckli, David; Yanase, Youichi; Sigrist, Manfred

2018-04-01

We investigate the magnetic field dependence of an ideal superconducting vortex lattice in the parity-mixed pair-density-wave phase of multilayer superconductors within a circular cell Ginzburg-Landau approach. In multilayer systems, due to local inversion symmetry breaking, a Rashba spin-orbit coupling is induced at the outer layers. This combined with a perpendicular paramagnetic (Pauli) limiting magnetic field stabilizes a staggered layer dependent pair-density-wave phase in the superconducting singlet channel. The high-field pair-density-wave phase is separated from the low-field BCS phase by a first-order phase transition. The motivating guiding question in this paper is: What is the minimal necessary Maki parameter αM for the appearance of the pair-density-wave phase of a superconducting trilayer system? To address this problem we generalize the circular cell method for the regular flux-line lattice of a type-II superconductor to include paramagnetic depairing effects. Then, we apply the model to the trilayer system, where each of the layers are characterized by Ginzburg-Landau parameter κ0 and a Maki parameter αM. We find that when the spin-orbit Rashba interaction compares to the superconducting condensation energy, the orbitally limited pair-density-wave phase stabilizes for Maki parameters αM>10 .

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

KAUST Repository

Chu, Shidong

2010-11-01

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

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

Science.gov (United States)

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

2018-04-01

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

Magnetic refrigeration apparatus with belt of ferro or paramagnetic material

Science.gov (United States)

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

1987-01-01

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

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

Czech Academy of Sciences Publication Activity Database

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

2004-01-01

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

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

International Nuclear Information System (INIS)

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

2005-01-01

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

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

Science.gov (United States)

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

2018-04-26

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

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

Science.gov (United States)

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

2013-12-27

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

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

Czech Academy of Sciences Publication Activity Database

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

2015-01-01

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

Determination of the Antioxidant Status of the Skin by In Vivo-Electron Paramagnetic Resonance (EPR Spectroscopy

Directory of Open Access Journals (Sweden)

Silke Barbara Lohan

2015-08-01

Full Text Available Organisms produce free radicals which are essential for various metabolic processes (enzymatic oxidation, cellular respiration, signaling. Antioxidants are important chemical compounds that specifically prevent the oxidation of substances by scavenging radicals, especially reactive oxygen species (ROS. Made up of one or two unpaired electrons, ROS are free radicals that are highly reactive and can attack other metabolites. By using electron paramagnetic resonance (EPR spectroscopy, it is possible to measure paramagnetic substances such as free radicals. Therefore the dermal antioxidant activity can be determined by applying semi-stable radicals onto the skin and measuring the antioxidant-induced radical scavenging activity in the skin. In recent years, EPR has been developed as a spectroscopic method for determining the antioxidant status in vivo. Several studies have shown that an additional uptake of dietary supplements, such as carotenoids or vitamin C in physiological concentrations, provide a protective effect against free radicals. Using the EPR technique it could be demonstrated that the radical production in stress situations, such as irradiation with infrared and visible light, was reduced with time. However, not only the oral uptake of antioxidants, but also the topical application of antioxidants, e.g., a hyperforin-rich cream, is very useful against the development of oxidative stress. Regular application of a hyperforin-rich cream reduced radical formation. The skin lipids, which are very important for the barrier function of the skin, were also stabilized.

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-06-01

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

Upper critical fields in multifilamentary NbTi alloy superconducting wires

International Nuclear Information System (INIS)

Watanabe, Kazuo; Muto, Yoshio; Noto, Koshichi.

1991-01-01

In order to improve the high field performance of superconducting magnets, the upper critical field B c2 for practical multifilamentary alloy wires of NbTi, NbTiTa and NbTiHf were examined in respect with the usage of a pressurized superfluid cooling technique. The addition of Ta or Hf to NbTi enhanced by 0.5 T for B c2 at 1.8 K. Although the addition of a heavy element such as Ta or Hf has been regarded as suppressing Pauli-paramagnetism so far, it was found that the mechanism for B c2 enhancement by Hf addition is different from that by Ta addition. (author)

57Fe Moessbauer and magnetization study of the Th7Fe3 and the hydride Th7Fe3H/sub n/

International Nuclear Information System (INIS)

Viccaro, P.J.; Shenoy, G.K.; Dunlap, B.D.; Westlake, D.G.; Malik, S.K.; Wallace, W.E.

1978-01-01

Th 7 Fe 3 is known to be a Pauli paramagnet and to undergo a superconducting transition at 1.86K. Its hydride Th 7 Fe 3 H/sub n/ is shown to possess magnetic ordering. The 57 Fe saturated hyperfine field in the hydride is estimated to be aproximately 20kG. A positive isomer shift of 0.30 +- 0.02 mm/s at 300 K relative to Th 7 Fe 3 would be consistent with an increase in d-like electrons on Fe. Preliminary magnetization results indicate a magnetic moment of about 0.5 μ/sub B/ for the hydride and a transition temperature near 300 K

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-07-15

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

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

NARCIS (Netherlands)

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

2011-01-01

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

Ce3 - xMgxCo9 : Transformation of a Pauli Paramagnet into a Strong Permanent Magnet

Science.gov (United States)

Lamichhane, Tej N.; Taufour, Valentin; Palasyuk, Andriy; Lin, Qisheng; Bud'ko, Sergey L.; Canfield, Paul C.

2018-02-01

We report on the synthesis of single-crystal and polycrystalline samples of Ce3 -xMgxCo9 solid solution (0 ≤x ≲1.4 ) and characterization of their structural and magnetic properties. The crystal structure remains rhombohedral in the whole composition range and Mg partially replaces Ce in the 6 c site of the CeCo3 structure. Ferromagnetism is induced by Mg substitutions starting as low as x =0.18 and reaching a Curie temperature as high as 450 K for x =1.35 . Measurements on single crystals with x =1.34 and TC=440 K indicate an axial magnetic anisotropy with an anisotropy field of 6 T and a magnetization of 6 μB/f .u . at 300 K. Coercicity is observed in the polycrystalline samples consistent with the observed axial magnetic anisotropy. Our discovery of ferromagnetism with large axial magnetic anisotropy induced by substituting a rare-earth element by Mg is a very promising result in the search of inexpensive permanent-magnet materials and suggests that other nonmagnetic phases, similar to CeCo3 , may also conceal nearby ferromagnetic phases.

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

Science.gov (United States)

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

2018-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Myers, H P; Westin, R

1962-12-15

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

Using an electron paramagnetic resonance method for testing motor oils

Energy Technology Data Exchange (ETDEWEB)

Krais, S; Tkac, T

1982-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-07-01

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

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

CERN Document Server

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

2003-01-01

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

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

Directory of Open Access Journals (Sweden)

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

2016-11-01

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

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

International Nuclear Information System (INIS)

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

1983-01-01

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

Investigation of Mn Implanted LiNbO3 applying electron paramagnetic resonance technique

International Nuclear Information System (INIS)

Darwish, A.; Ila, D.; Poker, D.B.; Hensley, D.K.

1997-10-01

The effect of ion implantation on the LiNbO 3 crystal is studied using electron paramagnetic resonance spectroscopy (EPR). EPR measurements on these crystals were performed as a function of ion species Mn and Fe and fluence at room temperature. Also the effect of the laser illumination on the EPR signal was determined by illuminating the crystal in situ and measuring the decay and growth of the EPR signal. LiNbO 3 :Mn 2+ at a depth of approximately 200 nm was formed by implantation of 2.5 x 10 14 Mncm 2 and 1 x 10 17 Mn/cm 2 at 2 MeV. The implanted samples were compared with bulk doped crystals. It was found that the decay and growth of Mn EPR for the implanted crystal is very small compared with the bulk doped LiNbO 3 :Mn crystal. This was found to be primarily due to the spin concentration on the crystals. On the other, hand the decay time of the high fluence is about 40% slower than the decay of the low fluence implanted crystal

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

Directory of Open Access Journals (Sweden)

Alexei Bogdanov

2002-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-04-21

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

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

Science.gov (United States)

Hou, H; Khan, N; Kuppusamy, P

2017-01-01

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

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

International Nuclear Information System (INIS)

Tancredo, A.

1984-01-01

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

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

Science.gov (United States)

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

2014-05-01

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

New ternary tantalum borides containing boron dumbbells: Experimental and theoretical studies of Ta{sub 2}OsB{sub 2} and TaRuB

Energy Technology Data Exchange (ETDEWEB)

Mbarki, Mohammed; Touzani, Rachid St.; Rehorn, Christian W.G.; Gladisch, Fabian C. [Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen (Germany); Fokwa, Boniface P.T., E-mail: bfokwa@ucr.edu [Institute of Inorganic Chemistry, RWTH Aachen University, D-52056 Aachen (Germany); Department of Chemistry, University of California Riverside (UCR), Riverside, CA 92521 (United States)

2016-10-15

The new ternary transition metal-rich borides Ta{sub 2}OsB{sub 2} and TaRuB have been successfully synthesized by arc-melting the elements in a water-cooled crucible under an argon atmosphere. The crystal structures of both compounds were solved by single-crystal X-ray diffraction and their metal compositions were confirmed by EDX analysis. It was found that Ta{sub 2}OsB{sub 2} and TaRuB crystallize in the tetragonal Nb{sub 2}OsB{sub 2} (space group P4/mnc, no. 128) and the orthorhombic NbRuB (space group Pmma, no. 51) structure types with lattice parameters a=5.878(2) Å, c=6.857(2) Å and a=10.806(2) Å, b=3.196(1) Å, c=6.312(2) Å, respectively. Furthermore, crystallographic, electronic and bonding characteristics have been studied by density functional theory (DFT). Electronic structure relaxation has confirmed the crystallographic parameters while COHP bonding analysis indicates that B{sub 2}-dummbells are the strongest bonds in both compounds. Moreover, the formation of osmium dumbbells in Ta{sub 2}OsB{sub 2} through a Peierls distortion along the c-axis, is found to be the origin of superstructure formation. Magnetic susceptibility measurements reveal that the two phases are Pauli paramagnets, thus confirming the theoretical DOS prediction of metallic character. Also hints of superconductivity are found in the two phases, however lack of single phase samples has prevented confirmation. Furthermore, the thermodynamic stability of the two modifications of AMB (A=Nb, Ta; M =Ru, Os) are studied using DFT, as new possible phases containing either B{sub 4}- or B{sub 2}-units are predicted, the former being the most thermodynamically stable modification. - Graphical abstract: The two new ternary tantalum borides, Ta{sub 2}OsB{sub 2} and TaRuB, have been discovered. Their crystal structures contain boron dumbbells, which are the strongest bonds. Peirls distortion is found responsible for Os{sub 2}-dumbbells formation in Ta{sub 2}OsB{sub 2}. Ta{sub 2}OsB{sub 2} and

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

International Nuclear Information System (INIS)

Meier, Christoph

2014-01-01

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

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

International Nuclear Information System (INIS)

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

2013-01-01

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

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

NARCIS (Netherlands)

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

1993-01-01

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

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

Science.gov (United States)

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

2011-11-21

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

Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) with Th7Fe3-type structure

Science.gov (United States)

Misse, Patrick R. N.; Mbarki, Mohammed; Fokwa, Boniface P. T.

2012-08-01

Powder samples and single crystals of the new complex boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th7Fe3 structure type (space group P63mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region.

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

Directory of Open Access Journals (Sweden)

I.I. Gimazov, Yu.I. Talanov

2015-12-01

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

Search for Pauli exclusion principle violating atomic transitions and electron decay with a p-type point contact germanium detector

Energy Technology Data Exchange (ETDEWEB)

Abgrall, N.; Bradley, A.W.; Chan, Y.D.; Mertens, S.; Poon, A.W.P. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Arnquist, I.J.; Hoppe, E.W.; Kouzes, R.T.; LaFerriere, B.D.; Orrell, J.L. [Pacific Northwest National Laboratory, Richland, WA (United States); Avignone, F.T. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); University of South Carolina, Department of Physics and Astronomy, Columbia, SC (United States); Barabash, A.S.; Konovalov, S.I.; Yumatov, V. [National Research Center ' ' Kurchatov Institute' ' Institute for Theoretical and Experimental Physics, Moscow (Russian Federation); Bertrand, F.E.; Galindo-Uribarri, A.; Radford, D.C.; Varner, R.L.; White, B.R.; Yu, C.H. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Brudanin, V.; Shirchenko, M.; Vasilyev, S.; Yakushev, E.; Zhitnikov, I. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Busch, M. [Duke University, Department of Physics, Durham, NC (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); Buuck, M.; Cuesta, C.; Detwiler, J.A.; Gruszko, J.; Guinn, I.S.; Leon, J.; Robertson, R.G.H. [University of Washington, Department of Physics, Center for Experimental Nuclear Physics and Astrophysics, Seattle, WA (United States); Caldwell, A.S.; Christofferson, C.D.; Dunagan, C.; Howard, S.; Suriano, A.M. [South Dakota School of Mines and Technology, Rapid City, SD (United States); Chu, P.H.; Elliott, S.R.; Goett, J.; Massarczyk, R.; Rielage, K. [Los Alamos National Laboratory, Los Alamos, NM (United States); Efremenko, Yu. [University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Ejiri, H. [Osaka University, Research Center for Nuclear Physics, Ibaraki, Osaka (Japan); Finnerty, P.S.; Gilliss, T.; Giovanetti, G.K.; Henning, R.; Howe, M.A.; MacMullin, J.; Meijer, S.J.; O' Shaughnessy, C.; Rager, J.; Shanks, B.; Trimble, J.E.; Vorren, K.; Xu, W. [Triangle Universities Nuclear Laboratory, Durham, NC (United States); University of North Carolina, Department of Physics and Astronomy, Chapel Hill, NC (United States); Green, M.P. [North Carolina State University, Department of Physics, Raleigh, NC (United States); Oak Ridge National Laboratory, Oak Ridge, TN (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); Guiseppe, V.E.; Tedeschi, D.; Wiseman, C. [University of South Carolina, Department of Physics and Astronomy, Columbia, SC (United States); Jasinski, B.R. [University of South Dakota, Department of Physics, Vermillion, SD (United States); Keeter, K.J. [Black Hills State University, Department of Physics, Spearfish, SD (United States); Kidd, M.F. [Tennessee Tech University, Cookeville, TN (United States); Martin, R.D. [Queen' s University, Department of Physics, Engineering Physics and Astronomy, Kingston, ON (Canada); Romero-Romero, E. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); University of Tennessee, Department of Physics and Astronomy, Knoxville, TN (United States); Vetter, K. [Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); University of California, Department of Nuclear Engineering, Berkeley, CA (United States); Wilkerson, J.F. [Oak Ridge National Laboratory, Oak Ridge, TN (United States); Triangle Universities Nuclear Laboratory, Durham, NC (United States); University of North Carolina, Department of Physics and Astronomy, Chapel Hill, NC (United States)

2016-11-15

A search for Pauli-exclusion-principle-violating K{sub α} electron transitions was performed using 89.5 kg-d of data collected with a p-type point contact high-purity germanium detector operated at the Kimballton Underground Research Facility. A lower limit on the transition lifetime of 5.8 x 10{sup 30} s at 90% C.L. was set by looking for a peak at 10.6 keV resulting from the X-ray and Auger electrons present following the transition. A similar analysis was done to look for the decay of atomic K-shell electrons into neutrinos, resulting in a lower limit of 6.8 x 10{sup 30} s at 90% C.L. It is estimated that the Majorana Demonstrator, a 44 kg array of p-type point contact detectors that will search for the neutrinoless double-beta decay of {sup 76}Ge, could improve upon these exclusion limits by an order of magnitude after three years of operation. (orig.)

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

International Nuclear Information System (INIS)

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

1976-01-01

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

Electron paramagnetic resonance dosimetry using synthetic hydroxyapatite

Energy Technology Data Exchange (ETDEWEB)

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

2014-11-15

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

Pauli Spin Blockade and the Ultrasmall Magnetic Field Effect

KAUST Repository

Danon, Jeroen

2013-08-06

Based on the spin-blockade model for organic magnetoresistance, we present an analytic expression for the polaron-bipolaron transition rate, taking into account the effective nuclear fields on the two sites. We reveal the physics behind the qualitatively different magnetoconductance line shapes observed in experiment, as well as the ultrasmall magnetic field effect (USFE). Since our findings agree in detail with recent experiments, they also indirectly provide support for the spin-blockade interpretation of organic magnetoresistance. In addition, we predict the existence of a similar USFE in semiconductor double quantum dots tuned to the spin-blockade regime.

Pauli Spin Blockade and the Ultrasmall Magnetic Field Effect

KAUST Repository

Danon, Jeroen; Wang, Xuhui; Manchon, Aurelien

2013-01-01

Based on the spin-blockade model for organic magnetoresistance, we present an analytic expression for the polaron-bipolaron transition rate, taking into account the effective nuclear fields on the two sites. We reveal the physics behind the qualitatively different magnetoconductance line shapes observed in experiment, as well as the ultrasmall magnetic field effect (USFE). Since our findings agree in detail with recent experiments, they also indirectly provide support for the spin-blockade interpretation of organic magnetoresistance. In addition, we predict the existence of a similar USFE in semiconductor double quantum dots tuned to the spin-blockade regime.

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

Energy Technology Data Exchange (ETDEWEB)

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

2015-11-15

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

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

Science.gov (United States)

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

2012-06-01

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

Paramagnetic decoration of DNA origami nanostructures by Eu³⁺ coordination.

Science.gov (United States)

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

2014-07-15

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

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

Science.gov (United States)

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

2002-11-01

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

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

Czech Academy of Sciences Publication Activity Database

Jirsa, Miloš; Rameš, Jiří; Wolf, T.

2012-01-01

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

Er3+ impurities in KTiOPO4 studied by electron paramagnetic resonance

International Nuclear Information System (INIS)

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

2006-01-01

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

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

Science.gov (United States)

Theophilou, Iris; Lathiotakis, Nektarios N; Helbig, Nicole

2018-03-21

We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study

Science.gov (United States)

Theophilou, Iris; Lathiotakis, Nektarios N.; Helbig, Nicole

2018-03-01

We investigate the structure of the one-body reduced density matrix of three electron systems, i.e., doublet and quadruplet spin configurations, corresponding to the smallest interacting system with an open-shell ground state. To this end, we use configuration interaction (CI) expansions of the exact wave function in Slater determinants built from natural orbitals in a finite dimensional Hilbert space. With the exception of maximally polarized systems, the natural orbitals of spin eigenstates are generally spin dependent, i.e., the spatial parts of the up and down natural orbitals form two different sets. A measure to quantify this spin dependence is introduced and it is shown that it varies by several orders of magnitude depending on the system. We also study the ordering issue of the spin-dependent occupation numbers which has practical implications in reduced density matrix functional theory minimization schemes, when generalized Pauli constraints (GPCs) are imposed and in the form of the CI expansion in terms of the natural orbitals. Finally, we discuss the aforementioned CI expansion when there are GPCs that are almost "pinned."

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

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-12-31

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

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

International Nuclear Information System (INIS)

1996-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

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

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

International Nuclear Information System (INIS)

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

2001-01-01

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

Modified Mason number for charged paramagnetic colloidal suspensions

Science.gov (United States)

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

2016-06-01

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

Magnetic properties of the germanides RE{sub 3}Pt{sub 4}Ge{sub 6} (RE=Y, Pr, Nd, Sm, Gd-Dy)

Energy Technology Data Exchange (ETDEWEB)

Eustermann, Fabian; Eilers-Rethwisch, Matthias; Renner, Konstantin; Hoffmann, Rolf-Dieter; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Janka, Oliver [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Oldenburg Univ. (Germany). Inst. fuer Chemie

2017-07-01

The germanides RE{sub 3}Pt{sub 4}Ge{sub 6} (RE=Y, Pr, Nd, Sm, Gd-Dy) have been synthesized by arc-melting of the elements followed by inductive annealing to improve the crystallinity and allow for structural order. The compounds have been studied by powder X-ray diffraction; additionally the structure of Y{sub 3}Pt{sub 4}Ge{sub 6} has been refined from single-crystal X-ray diffractometer data. It exhibits a (3+1)D modulated structure, indicating isotypism with Ce{sub 3}Pt{sub 4}Ge{sub 6}. The crystal structure can be described as an intergrowth between YIrGe{sub 2}- and CaBe{sub 2}Ge{sub 2}-type slabs along [100]. Temperature-dependent magnetic susceptibility measurements showed Pauli paramagnetism for Y{sub 3}Pt{sub 4}Ge{sub 6} and Curie-Weiss paramagnetism for Pr{sub 3}Pt{sub 4}Ge{sub 6} and Nd{sub 3}Pt{sub 4}Ge{sub 6}. Sm{sub 3}Pt{sub 4}Ge{sub 6} exhibits van Vleck paramagnetism, while antiferromagnetic ordering at T{sub N}=8.1(1) K and T{sub N}=11.0(1) K is observed for Gd{sub 3}Pt{sub 4}Ge{sub 6} and Tb{sub 3}Pt{sub 4}Ge{sub 6}, respectively.

Structure and physical properties of Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3

International Nuclear Information System (INIS)

Yuan, Fang; Forbes, Scott; Ramachandran, Krishna Kumar; Mozharivskyj, Yurij

2015-01-01

The Cr_5B_3-type Ta_5Si_3 phase was prepared by arc-melting, while the Cr_5B_3-type Ta_5Ge_3 one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta_5Si_3 and Ta_5Ge_3 are Pauli paramagnets, with Ta_5Ge_3 showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta_5Si_3 and Ta_5Ge_3 display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3 phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr_5B_3-type Ta_5Si_3 and Ta_5Ge_3 phases. • Crystal and electronic structure analysis for Ta_5Si_3 and Ta_5Ge_3 phase by X-ray diffraction and TB-LMTO-ASA calculations.

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

International Nuclear Information System (INIS)

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

2013-01-01

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

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

Science.gov (United States)

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

2016-10-20

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

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

International Nuclear Information System (INIS)

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

2012-01-01

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

Biophysical dosimetry using electron paramagnetic resonance in human tooth

International Nuclear Information System (INIS)

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

2002-01-01

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

Radiation silver paramagnetic centers in a beta-alumina crystal

International Nuclear Information System (INIS)

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

1985-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-15

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

Electron paramagnetic resonance of the ns1 centers in crystals

International Nuclear Information System (INIS)

Nistor, S.V.; Ursu, I.

1993-05-01

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

Anomaly cancellation in effective supergravity theories from the heterotic string: Two simple examples

Science.gov (United States)

Gaillard, Mary K.; Leedom, Jacob

2018-02-01

We use Pauli-Villars regularization to evaluate the conformal and chiral anomalies in the effective field theories from Z3 and Z7 compactifications of the heterotic string without Wilson lines. We show that parameters for Pauli-Villars chiral multiplets can be chosen in such a way that the anomaly is universal in the sense that its coefficient depends only on a single holomorphic function of the three diagonal moduli. It is therefore possible to cancel the anomaly by a generalization of the four-dimensional Green-Schwarz mechanism. In particular we are able to reproduce the results of a string calculation of the four-dimensional chiral anomaly for these two models.

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

Directory of Open Access Journals (Sweden)

Jelšovská Kamila

2000-09-01

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

Microstrip resonators for electron paramagnetic resonance experiments

Science.gov (United States)

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

2009-07-01

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

Microstrip resonators for electron paramagnetic resonance experiments.

Science.gov (United States)

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

2009-07-01

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

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

DEFF Research Database (Denmark)

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

2017-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-02-15

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

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

Science.gov (United States)

Panda, Rudrashish; Sahu, Sivabrata; Rout, G. C.

2017-05-01

We communicate here a tight binding theoretical model study of the band filling effect on the charge gap in graphene-on-substrate. The Hamiltonian consists of nearest neighbor electron hopping and substrate induced gap. Besides this the Coulomb interaction is considered here within mean-field approximation in the paramagnetic limit. The electron occupancies at two sublattices are calculated by Green's function technique and are solved self consistently. Finally the charge gap i.e. Δ ¯=U [ - ] is calculated and computed numerically. The results are reported.

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

International Nuclear Information System (INIS)

Gonzalez T, L.; Beltran L, V.

1991-09-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

1992-07-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-09-15

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

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

International Nuclear Information System (INIS)

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

2013-01-01

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

The paramagnetic properties of ferromagnetic mixed-spin chain system

International Nuclear Information System (INIS)

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

2015-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Caracelli, Ignez

1988-12-31

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

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

International Nuclear Information System (INIS)

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

1984-01-01

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

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

Czech Academy of Sciences Publication Activity Database

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

2014-01-01

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

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

Directory of Open Access Journals (Sweden)

Vítězslav Jarý

2015-10-01

Full Text Available Eu-doped ternary sulfides of general formula ALnS2 (A = Na, K, Rb; Ln = La, Gd, Lu, Y are presented as a novel interesting material family which may find usage as X-ray phosphors or solid state white light emitting diode (LED lighting. Samples were synthesized in the form of transparent crystalline hexagonal platelets by chemical reaction under the flow of hydrogen sulfide. Their physical properties were investigated by means of X-ray diffraction, time-resolved photoluminescence spectroscopy, electron paramagnetic resonance, and X-ray excited fluorescence. Corresponding characteristics, including absorption, radioluminescence, photoluminescence excitation and emission spectra, and decay kinetics curves, were measured and evaluated in a broad temperature range (8–800 K. Calculations including quantum local crystal field potential and spin-Hamiltonian for a paramagnetic particle in D3d local symmetry and phenomenological model dealing with excited state dynamics were performed to explain the experimentally observed features. Based on the results, an energy diagram of lanthanide energy levels in KLuS2 is proposed. Color model xy-coordinates are used to compare effects of dopants on the resulting spectrum. The application potential of the mentioned compounds in the field of white LED solid state lighting or X-ray phosphors is thoroughly discussed.

Phonon superradiance and phonon laser effect in nanomagnets.

Science.gov (United States)

Chudnovsky, E M; Garanin, D A

2004-12-17

We show that the theory of spin-phonon processes in paramagnetic solids must take into account the coherent generation of phonons by the magnetic centers. This effect should drastically enhance spin-phonon rates in nanoscale paramagnets and in crystals of molecular nanomagnets.

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

International Nuclear Information System (INIS)

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

1992-01-01

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

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

International Nuclear Information System (INIS)

Marble, G.; Valderas, R.

1966-01-01

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

THz Electron Paramagnetic Resonance / THz Spectroscopy at BESSY II

Directory of Open Access Journals (Sweden)

Karsten Holldack

2016-02-01

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

A magnetic trap for living cells suspended in a paramagnetic buffer

Science.gov (United States)

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

2004-09-01

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

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

International Nuclear Information System (INIS)

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

2008-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-09-15

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2002-08-01

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

Roles of Pauli correlations, channel couplings, and shake-off in ion-induced KL/sup v/ and K2L/sup v/ multiple-vacancy production

International Nuclear Information System (INIS)

Becker, R.L.; Ford, A.L.; Reading, J.F.

1983-01-01

Cross sections for target K-plus-L-shell multiple-vacancy production by ions can be inferred from experimental measurements of K x-ray and Auger satellite intensities. The theory of K/sup n/L/sup v/ multiple-vacancy distributions has been generalized from the single-particle model (the statistically independent electron approximation) to the independent Fermi particle model. The Pauli correlations (electron exchange terms) are found to nearly cancel in many cases because of a tendency toward random phases. This results in the first quantal demonstration that the vacancy distribution is nearly binomial (but slightly narrower). Calculations have been generalized from the traditional first-order approximations to unitary approximations (first Magnus and coupled-channels) which correctly predict the saturation of the mean vacancy probability with increasing projectile charge. The recent availability of satellite and hypersatellite data for the same collision system makes possible the beginning of an investigation of the effects of increased removal energies and increased shaking in hypersatellites (K 2 L/sup v/) as compared with satellites. We review our unified treatment of ion-plus-shaking induced amplitudes for L-vacancy production accompanying ion-generated K-holes. Calculations for C 6+ + Ne satellite and hypersatellite vacancy distributions are presented

Crystal structure, magnetism, {sup 89}Y solid state NMR, and {sup 121}Sb Moessbauer spectroscopic investigations of YIrSb

Energy Technology Data Exchange (ETDEWEB)

Benndorf, Christopher [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Heletta, Lukas; Block, Theresa; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster (Germany); Eckert, Hellmut [Institut fuer Physikalische Chemie, Universitaet Muenster (Germany); Institute of Physics in Sao Carlos, University of Sao Paulo, Sao Carlos (Brazil)

2017-02-15

The ternary antimonide YIrSb was synthesized from the binary precursor YIr and elemental antimony by a diffusion controlled solid-state reaction. Single crystals were obtained by a flux technique with elemental bismuth as an inert solvent. The YIrSb structure (TiNiSi type, space group Pnma) was refined from single-crystal X-ray diffractometer data: a = 711.06(9), b = 447.74(5), c = 784.20(8) pm, wR{sub 2} = 0.0455, 535 F{sup 2} values, 20 variables. {sup 89}Y solid state MAS NMR and {sup 121}Sb Moessbauer spectra show single resonance lines in agreement with single-crystal X-ray data. YIrSb is a Pauli paramagnet. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Directory of Open Access Journals (Sweden)

Daqiang Gao

2011-12-01

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

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

Science.gov (United States)

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

2018-01-01

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

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

International Nuclear Information System (INIS)

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

2004-01-01

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

Study of radiation-induced paramagnetic centers in quartz and its possible use in radiation dosimetry

International Nuclear Information System (INIS)

Mansour, A.M.E.

2008-01-01

A new EPR dosimetry system has been developed based on the radiation-formed stable paramagnetic centers in quartz. The first part of the thesis includes the preparation of quartz rods (diameter = 3 mm, length = 10 mm) where quartz powder was mixed with molten mixture of paraffin wax and ethylene vinyl acetate copolymer (EVA). The binding-mixture EVA / paraffin do not present interference or noise in the EPR signal before or after irradiation to high doses. The quartz rods were prepared by different concentrations (5, 10, 20, 30 and 50 %). The rods (30 %) show good mechanical properties for safe and multi-use handling. The second part is concerned with studying the dosimetric characteristics of gamma irradiation sensitive rods where the radiation-formed stable free radicals (E-center, peroxy radical and non-bridging oxygen hole center) which analyzed by using electron paramagnetic resonance (EPR) spectrometer. Unirradiated rods have no EPR signals. The useful dose range of these rods was found to range from 0.1 to 80 kGy depending on concentration of quartz powder, indicating their suitability for low and high dose gamma radiation applications. Also it was found that quartz rod exhibits a linear dose response in the dose regions 0.1-2.34 and 2.34-26 kGy at optimum EPR parameters. The dosimeter response was assessed using the peak-to-peak amplitude of the first-derivatives EPR spectrum. Its EPR signal was found unchanged in shape with different doses and different concentrations. A signal line spectrum attributed to the E-center was observed after irradiation, and this radical is insensitive to temperature, light independence as well as it have a very low decay (4.768 % per year). The overall uncertainty for quartz rod dosimeters at 2σ (σ is standard deviation) was found to be 3.8436 %. The dosimetric parameters, e. g. dose response, effect of temperature during irradiation on response as well as pre- and post-irradiation stability at different storage conditions

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

International Nuclear Information System (INIS)

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

2014-01-01

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

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

International Nuclear Information System (INIS)

Camargo, M.B.

1985-01-01

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

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

DEFF Research Database (Denmark)

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

2012-01-01

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

Effects of pre-irradiation annealing at high temperature on optical absorption and electron paramagnetic resonance of natural pumpellyite mineral

International Nuclear Information System (INIS)

Javier-Ccallata, Henry; Filho, Luiz Tomaz; Sartorelli, Maria L.; Watanabe, Shigueo

2013-01-01

Highlights: •Natural pumpellyite mineral presents superposition bands around 900 and 1060 nm due Fe 2+ and Fe 3+ . •High temperature annealing influences the EPR and OA spectra. •The behavior of EPR line for 800 and 900 °C can be attributed to forbidden dd transitions due the Fe 3+ . -- Abstract: Natural silicate mineral of pumpellyite, Ca 2 MgAl 2 (SiO 4 )(Si 2 O 7 )(OH) 2 ·(H 2 O), point group A2/m, has been studied concerning high temperature annealing and γ-radiation effects on Optical Absorption (OA) and Electron Paramagnetic Resonance (EPR) properties. Chemical analysis revealed that besides Si, Al, Ca and Mg, other oxides i.e., Fe, Mn, Na, K, Ti and P are present in the structure as impurities. OA measurements of natural and annealed pumpellyite revealed several bands in the visible region due to spin forbidden transitions of Fe 2+ and Fe 3+ . The behaviour of bands around 900 and 1060 nm, with pre-annealing and γ radiation dose, indicating a transition Fe 2+ → e − + Fe 3+ . On the other hand, EPR measurements reveal six lines of Mn 2+ , and satellites due to hyperfine interaction, superimposed on the signal of Fe 3+ around of g = 2. For heat treatment from 800 °C the signal grows significantly and for 900 °C a strong signal of Fe 3+ hides all Mn 2+ lines. The strong growth of this signal indicates that the transitions are due to Fe 3+ dipole–dipole interactions

Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide

International Nuclear Information System (INIS)

Oktaviani, Nur Alia; Risør, Michael W.; Lee, Young-Ho; Megens, Rik P.; Jong, Djurre H. de; Otten, Renee; Scheek, Ruud M.; Enghild, Jan J.; Nielsen, Niels Chr.; Ikegami, Takahisa; Mulder, Frans A. A.

2015-01-01

Co-solute paramagnetic relaxation enhancement (PRE) is an attractive way to speed up data acquisition in NMR spectroscopy by shortening the T 1 relaxation time of the nucleus of interest and thus the necessary recycle delay. Here, we present the rationale to utilize high-spin iron(III) as the optimal transition metal for this purpose and characterize the properties of its neutral chelate form Fe(DO3A) as a suitable PRE agent. Fe(DO3A) effectively reduces the T 1 values across the entire sequence of the intrinsically disordered protein α-synuclein with negligible impact on line width. The agent is better suited than currently used alternatives, shows no specific interaction with the polypeptide chain and, due to its high relaxivity, is effective at low concentrations and in ‘proton-less’ NMR experiments. By using Fe(DO3A) we were able to complete the backbone resonance assignment of a highly fibrillogenic peptide from α 1 -antitrypsin by acquiring the necessary suite of multidimensional NMR datasets in 3 h

Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide

Energy Technology Data Exchange (ETDEWEB)

Oktaviani, Nur Alia [University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute (Netherlands); Risør, Michael W. [University of Aarhus, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry (Denmark); Lee, Young-Ho [Osaka University, Institute for Protein Research (Japan); Megens, Rik P. [University of Groningen, Stratingh Institute for Chemistry (Netherlands); Jong, Djurre H. de; Otten, Renee; Scheek, Ruud M. [University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute (Netherlands); Enghild, Jan J. [University of Aarhus, Interdisciplinary Nanoscience Center (iNANO) and Department of Molecular Biology and Genetics (Denmark); Nielsen, Niels Chr. [University of Aarhus, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry (Denmark); Ikegami, Takahisa [Yokohama City University, Graduate School of Medical Life Science (Japan); Mulder, Frans A. A., E-mail: fmulder@chem.au.dk [University of Groningen, Groningen Biomolecular Sciences and Biotechnology Institute (Netherlands)

2015-06-15

Co-solute paramagnetic relaxation enhancement (PRE) is an attractive way to speed up data acquisition in NMR spectroscopy by shortening the T{sub 1} relaxation time of the nucleus of interest and thus the necessary recycle delay. Here, we present the rationale to utilize high-spin iron(III) as the optimal transition metal for this purpose and characterize the properties of its neutral chelate form Fe(DO3A) as a suitable PRE agent. Fe(DO3A) effectively reduces the T{sub 1} values across the entire sequence of the intrinsically disordered protein α-synuclein with negligible impact on line width. The agent is better suited than currently used alternatives, shows no specific interaction with the polypeptide chain and, due to its high relaxivity, is effective at low concentrations and in ‘proton-less’ NMR experiments. By using Fe(DO3A) we were able to complete the backbone resonance assignment of a highly fibrillogenic peptide from α{sub 1}-antitrypsin by acquiring the necessary suite of multidimensional NMR datasets in 3 h.

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

NARCIS (Netherlands)

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

2013-01-01

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

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

International Nuclear Information System (INIS)

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

1986-01-01

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

R(+-Thioctic Acid Effects on Oxidative Stress and Peripheral Neuropathy in Type II Diabetic Patients: Preliminary Results by Electron Paramagnetic Resonance and Electroneurography

Directory of Open Access Journals (Sweden)

Simona Mrakic-Sposta

2018-01-01

Full Text Available Objectives. Diabetic neuropathy is the most common complication of diabetes. The idea of alterations in energy metabolism in diabetes is emerging. The biogenic antioxidant R(+-thioctic acid has been successfully used in the treatment of diabetic polyneuropathic (DPN patients. Methods. The effects of R(+-thioctic acid (1 tablet, 1.6 g administration were evaluated in 12 DPN patients at baseline and at 15, 30, 60, and 120 administration days throughout the assessment of oxidative stress (OxS; ROS production rate by electron paramagnetic resonance (EPR technique; and oxidative damage biomarkers (thiobarbituric acid reactive substances (TBARS and protein carbonyls (PC, electroneurography (ENG and visual analogue scale. Results. Supplementation induced significant changes (p<0.05 at 30 and 60 days. ROS production rate up to −16%; TBARS (−31%, PC (−38%, and TAC up to +48%. Motor nerve conduction velocity in SPE and ulnar nerves (+22% and +16% and sensor conduction velocity in sural and median nerves (+22% and +5%. Patients reported a general wellness sensation improvement (+35% at 30 days: lower limb pain sensation (−40% and upper limbs (−23%. Conclusion. The results strongly indicate that an increased antioxidant capacity plays an important role in OxS, nerve conduction velocity, pain, and general wellness improvement. Nevertheless, the effects of the antioxidant compound were found positive up to 60 days. Then, a hormesis effect was observed. Novelty of the research would be a challenge for investigators to carefully address issues, including dose range factors, appropriate administration time, and targeting population to counteract possible “boomerang effects.” The great number of monitored parameters would firmly stress these conclusions.

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

International Nuclear Information System (INIS)

Meary, Alain

1983-01-01

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

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

International Nuclear Information System (INIS)

Wasilewski, W.

1983-08-01

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

Ferromagnetism versus slow paramagnetic relaxation in Fe-doped Li3N

Science.gov (United States)

Fix, M.; Jesche, A.; Jantz, S. G.; Bräuninger, S. A.; Klauss, H.-H.; Manna, R. S.; Pietsch, I. M.; Höppe, H. A.; Canfield, P. C.

2018-02-01

We report on isothermal magnetization, Mössbauer spectroscopy, and magnetostriction as well as temperature-dependent alternating-current (ac) susceptibility, specific heat, and thermal expansion of single crystalline and polycrystalline Li2(Li1 -xFex) N with x =0 and x ≈0.30 . Magnetic hysteresis emerges at temperatures below T ≈50 K with coercivity fields of up to μ0H =11.6 T at T =2 K and magnetic anisotropy energies of 310 K (27 meV). The ac susceptibility is strongly frequency-dependent (f =10 -10 000 Hz) and reveals an effective energy barrier for spin reversal of Δ E ≈1100 K (90 meV). The relaxation times follow Arrhenius behavior for T >25 K . For T <10 K , however, the relaxation times of τ ≈1010 s are only weakly temperature-dependent, indicating the relevance of a quantum tunneling process instead of thermal excitations. The magnetic entropy amounts to more than 25 J molFe-1 K-1, which significantly exceeds R ln 2 , the value expected for the entropy of a ground-state doublet. Thermal expansion and magnetostriction indicate a weak magnetoelastic coupling in accordance with slow relaxation of the magnetization. The classification of Li2(Li1 -xFex) N as ferromagnet is stressed and contrasted with highly anisotropic and slowly relaxing paramagnetic behavior.

Investigation of some parameters influencing the sensitivity of human tooth enamel to gamma radiation using electron paramagnetic resonance

International Nuclear Information System (INIS)

El-Faramawy, N.

2008-01-01

Electron paramagnetic resonance (EPR) has been successfully used as a physical technique for gamma radiation dose reconstruction using calcified tissues. To minimize potential discrepancies between EPR readings in future studies, the effects of cavity response factor, tooth position and donor gender on the estimated gamma radiation dose were studied. It was found that the EPR response per sample mass used for assessment of doses in teeth outside of the 70-100 mg range should be corrected by a factor which is a function of the sample mass. In the EPR measurements, the difference in sensitivity of different tooth positions to γ-radiation was taken into consideration. It was determined that among all the premolars and molars tooth positions, the relative standard deviation of sensitivity was 6.5%, with the wisdom teeth and the first molars having the highest and lowest sensitivity to γ-radiation, respectively. The current results reveal no effect of the donor gender on the sensitivity to γ-radiation. (author)

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

International Nuclear Information System (INIS)

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

1981-01-01

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

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

DEFF Research Database (Denmark)

Davies, Michael Jonathan

2016-01-01

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

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

Science.gov (United States)

Janesko, Benjamin G.

2018-02-01

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

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

Science.gov (United States)

Straube, Arthur V; Tierno, Pietro

2014-06-14

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

NATO Advanced Research Workshop on Nuclear Magnetic Resonance of Paramagnetic Macromolecules

CERN Document Server

1995-01-01

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

Retrospective radiation dosimetry using electron paramagnetic resonance in canine dental enamel

International Nuclear Information System (INIS)

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

2005-01-01

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

Electron paramagnetic resonance dosimetry in fingernails

International Nuclear Information System (INIS)

Romanyukha, Alex; Benevides, Luis A.; Reyes, Ricardo; Trompier, Francois; Clairand, Isabelle; Swartz, Harold M.

2008-01-01

Full text: Based on the capabilities of new instrumentation and the experience gained in the use of teeth for 'after-the-fact' dosimetry, we have undertaken a systematic electron paramagnetic resonance (EPR) study of irradiated fingernails. There have been only a modest number of previous studies of radiation-induced signals in fingernails. While these have given us some promising aspects, overall results have been inconsistent. The most significant problem of EPR fingernail dosimetry is the presence of two signals of non-radiation origin that overlap the radiation-induced signal (RIS), making it almost impossible to do dose measurements below 5 Gy. Historically, these two non-radiation components were named mechanically-induced signal (MIS) and background signal (BKS). In order to investigate them in detail, three different methods of MIS and BKS mutual isolation have been developed and implemented. Having applied these methods, we were able to understand that fingernail tissue, after cut, can be modeled as a deformed sponge, where the MIS and BKS are associated with the stress from elastic and plastic deformations respectively. A sponge has a unique mechanism of mechanical stress absorption, which is necessary for fingernails in order to perform its everyday function of protecting the fingertips from hits and trauma. Like a sponge, fingernails are also known to be an effective water absorber. When a sponge is saturated with water, it tends to restore to its original shape, and when it looses water, it becomes deformed again. The same happens to fingernail tissue. Our suggested interpretation of the mechanical deformation in fingernails gives also a way to distinguish between the MIS and RIS. Obtained results show that the MIS in irradiated fingernails can be almost completely eliminated without a significant change to the RIS by soaking the sample for 10 minutes in water. This is an ongoing study but even at its present state of development, it has shown that it

Effects of pre-irradiation annealing at high temperature on optical absorption and electron paramagnetic resonance of natural pumpellyite mineral

Energy Technology Data Exchange (ETDEWEB)

Javier-Ccallata, Henry, E-mail: henrysjc@gmail.com [Escuela de Ingeniería Electrónica y Telecomunicaciones, Universidad Alas Peruanas Filial Arequipa, Urb. D. A. Carrión G-14, J. L. Bustamante y Rivero, Arequipa (Peru); Laboratório de Sistemas Nanoestruturados, Departamento de Física, Universidade Federal de Santa Catarina, Florianópolis, Santa Catarina (Brazil); Filho, Luiz Tomaz [Departamento de Física Nuclear, Instituto de Física, Universidade de São Paulo, Rua do Matão, travessa R, 187, CEP 05508-900 São Paulo, SP (Brazil); Faculdade de Tecnologia e Ciências Exatas, Universidade São Judas Tadeu, Rua Taquari 546, São Paulo, SP (Brazil); Sartorelli, Maria L. [Laboratório de Sistemas Nanoestruturados, Departamento de Física, Universidade Federal de Santa Catarina, Florianópolis, Santa Catarina (Brazil); Watanabe, Shigueo [Departamento de Física Nuclear, Instituto de Física, Universidade de São Paulo, Rua do Matão, travessa R, 187, CEP 05508-900 São Paulo, SP (Brazil)

2013-09-15

Highlights: •Natural pumpellyite mineral presents superposition bands around 900 and 1060 nm due Fe{sup 2+}and Fe{sup 3+}. •High temperature annealing influences the EPR and OA spectra. •The behavior of EPR line for 800 and 900 °C can be attributed to forbidden dd transitions due the Fe{sup 3+}. -- Abstract: Natural silicate mineral of pumpellyite, Ca{sub 2}MgAl{sub 2}(SiO{sub 4})(Si{sub 2}O{sub 7})(OH){sub 2}·(H{sub 2}O), point group A2/m, has been studied concerning high temperature annealing and γ-radiation effects on Optical Absorption (OA) and Electron Paramagnetic Resonance (EPR) properties. Chemical analysis revealed that besides Si, Al, Ca and Mg, other oxides i.e., Fe, Mn, Na, K, Ti and P are present in the structure as impurities. OA measurements of natural and annealed pumpellyite revealed several bands in the visible region due to spin forbidden transitions of Fe{sup 2+} and Fe{sup 3+}. The behaviour of bands around 900 and 1060 nm, with pre-annealing and γ radiation dose, indicating a transition Fe{sup 2+} → e{sup −} + Fe{sup 3+}. On the other hand, EPR measurements reveal six lines of Mn{sup 2+}, and satellites due to hyperfine interaction, superimposed on the signal of Fe{sup 3+} around of g = 2. For heat treatment from 800 °C the signal grows significantly and for 900 °C a strong signal of Fe{sup 3+} hides all Mn{sup 2+} lines. The strong growth of this signal indicates that the transitions are due to Fe{sup 3+} dipole–dipole interactions.

Polynuclear water-soluble dinitrosyl iron complexes with cysteine or glutathione ligands: electron paramagnetic resonance and optical studies.

Science.gov (United States)

Vanin, Anatoly F; Poltorakov, Alexander P; Mikoyan, Vasak D; Kubrina, Lyudmila N; Burbaev, Dosymzhan S

2010-09-15

Electron paramagnetic resonance and optical spectrophotometric studies have demonstrated that low-molecular dinitrosyl iron complexes (DNICs) with cysteine or glutathione exist in aqueous solutions in the form of paramagnetic mononuclear (capital EM, Cyrillic-DNICs) and diamagnetic binuclear complexes (B-DNICs). The latter represent Roussin's red salt esters and can be prepared by treatment of aqueous solutions of Fe(2+) and thiols (small er, Cyrilliccapital EN, Cyrillic 7.4) with gaseous nitric oxide (NO) at the thiol:Fe(2+) ratio 1:1. capital EM, Cyrillic-DNICs are synthesized under identical conditions at the thiol:Fe(2+) ratios above 20 and produce an EPR signal with an electronic configuration {Fe(NO)(2)}(7) at g(aver.)=2.03. At neutral pH, aqueous solutions contain both M-DNICs and B-DNICs (the content of the latter makes up to 50% of the total DNIC pool). The concentration of B-DNICs decreases with a rise in pH; at small er, Cyrilliccapital EN, Cyrillic 9-10, the solutions contain predominantly M-DNICs. The addition of thiol excess to aqueous solutions of B-DNICs synthesized at the thiol:Fe(2+) ratio 1:2 results in their conversion into capital EM, Cyrillic-DNICs, the total amount of iron incorporated into M-DNICs not exceeding 50% of the total iron pool in B-DNICs. Air bubbling of cys-capital EM, Cyrillic-DNIC solutions results in cysteine oxidation-controlled conversion of capital EM, Cyrillic-DNICs first into cys-B-DNICs and then into the EPR-silent compound capital HA, Cyrillic able to generate a strong absorption band at 278 nm. In the presence of glutathione or cysteine excess, compound capital HA, Cyrillic is converted into B-DNIC/M-DNIC and is completely decomposed under effect of the Fe(2+) chelator small o, Cyrillic-phenanthroline or N-methyl-d-glucamine dithiocarbamate (MGD). Moreover, MGD initiates the synthesis of paramagnetic mononitrosyl iron complexes with MGD. It is hypothesized that compound capital HA, Cyrillic represents a polynuclear

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

Science.gov (United States)

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

2017-12-01

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

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

Czech Academy of Sciences Publication Activity Database

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

2010-01-01

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

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

International Nuclear Information System (INIS)

Babajlov, S.P.

2008-01-01

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

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

Science.gov (United States)

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

2018-05-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-05-16

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

Oscillator strengths and transition probabilities from the Breit–Pauli R-matrix method: Ne IV

Energy Technology Data Exchange (ETDEWEB)

Nahar, Sultana N., E-mail: nahar@astronomy.ohio-state.edu

2014-09-15

The atomic parameters–oscillator strengths, line strengths, radiative decay rates (A), and lifetimes–for fine structure transitions of electric dipole (E1) type for the astrophysically abundant ion Ne IV are presented. The results include 868 fine structure levels with n≤ 10, l≤ 9, and 1/2≤J≤ 19/2 of even and odd parities, and the corresponding 83,767 E1 transitions. The calculations were carried out using the relativistic Breit–Pauli R-matrix method in the close coupling approximation. The transitions have been identified spectroscopically using an algorithm based on quantum defect analysis and other criteria. The calculated energies agree with the 103 observed and identified energies to within 3% or better for most of the levels. Some larger differences are also noted. The A-values show good to fair agreement with the very limited number of available transitions in the table compiled by NIST, but show very good agreement with the latest published multi-configuration Hartree–Fock calculations. The present transitions should be useful for diagnostics as well as for precise and complete spectral modeling in the soft X-ray to infra-red regions of astrophysical and laboratory plasmas. -- Highlights: •The first application of BPRM method for accurate E1 transitions in Ne IV is reported. •Amount of atomic data (n going up to 10) is complete for most practical applications. •The calculated energies are in very good agreement with most observed levels. •Very good agreement of A-values and lifetimes with other relativistic calculations. •The results should provide precise nebular abundances, chemical evolution etc.

Magnetic properties of intermetallic compounds La(Ni,Co,Cu)3

Science.gov (United States)

Tazuke, Y.; Tanikawa, H.; Okano, A.; Miyaji, T.

2006-09-01

LaNi3 exhibited a metallic antiferromagnetic property with T N = 30 K. La(Ni1-x Cox )3 with x = 0.01, 0.03 and 0.05 exhibited ferromagnetic properties, T C increasing linearly with increasing x . La(Ni1-2z Coz Cuz )3 with z = 0.015 exhibited a ferromagnetic property with a small T C. A La(Ni1-y Cuy )3 sample with y = 0.01 exhibited a Pauli-paramagnetic property; those with y = 0.02, 0.03 and 0.04 exhibited gradual metamagnetic behavior and that with y = 0.05 exhibited a ferromagnetic property. The gradual metamagnetic M -H variations are numerically simulated by using Landau-type free energies. The results suggest that the gradual metamagnetic behavior occurs from an antiferromagnetic state to a ferromagnetic one.

Electron paramagnetic resonance (EPR) in characterization of rocks and minerals

Energy Technology Data Exchange (ETDEWEB)

Valezi, D.F.; Mauro, E. di [Universidade Estadual de Londrina (UEL), PR (Brazil). Centro de Ciencias Exatas. Lab. de Fluorescencia e Ressonaancia Paramagnetica Eletronica (LAFLURPE); Zaia, D.A.M.; Carneiro, C.E.A. [Universidade Estadual de Londrina (UEL), PR (Brazil). Centro de Ciencias Exatas. Dept. de Quimica; Costa, A.C.S. da [Universidade Estadual de Maringa (UEM), PR (Brazil). Centro de Ciencias Agrarias. Dept. de Agronomia

2011-07-01

Full text. his work is based on the study of several stones and minerals from the Parana state, Brazil. They were analyzed by the Electron Paramagnetic Resonance (EPR) technique. The measurements were made on a spectrometer JEOL (JES-PE-3X), operating on X-band and at room temperature, with the exception of the mineral Goethite, which was measured with temperature variation. In all the samples were determined spectroscopic factors (or g factor) and line widths of paramagnetic species. A great number of the samples showed in their spectra, the presence of iron complexes. Phyllite and shale showed a resonance signal with approximately g = 2, and line width with about 1000 Gauss, which indicates the presence of the hematite mineral hematite in these rocks. Shale and coal samples showed the presence of free radical, it was identified as a very intense signal, centered at about g = 2.003. Phyllite sample showed in its spectra a resonance signal between the third and fourth line of the g marker (Mg O:Mn{sup 2+}) used in the measurements, and also a signal at g = 4.3, these characteristics may indicate the presence of Kaolinite in the sample. Limestone showed a signal with line width of about 600 Gauss, centered around g = 2, this signal is probably due to a mixture of ferrihydrite and some other compound, besides the presence of manganese, displaying a spectra with its six peculiar lines, due to hyperfine splitting. The two different types of limestone presented a overlap of two distinct spectra lines for the manganese, in the first limestone sample, rich in calcite, the existence of these different spectra is a result of the manganese substitution in a single site with different orientations of the calcite; the other limestone sample, this one abundant in dolomite, the existence of these different spectra is the result of the manganese substitution in different dolomite sites, taking the place of calcium and or of the magnesium. Now, we are focusing our research in the

Structure and physical properties of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Yuan, Fang; Forbes, Scott [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada); Ramachandran, Krishna Kumar [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Mozharivskyj, Yurij, E-mail: mozhar@mcmaster.ca [Department of Chemistry and Chemical Biology, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1 (Canada)

2015-11-25

The Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} phase was prepared by arc-melting, while the Cr{sub 5}B{sub 3}-type Ta{sub 5}Ge{sub 3} one was synthesized through sintering at 1000 °C. X-ray single crystal diffraction was employed to elucidate their structure. According to the magnetization measurements, both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} are Pauli paramagnets, with Ta{sub 5}Ge{sub 3} showing a Curie-Weiss-like paramagnetic behavior at low temperatures likely due to presence of paramagnetic impurity. Both Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} display a very low electrical resistivity from 2 to 300 K. The resistivity is constant below 20 K, but displays a positive temperature coefficient above 20 K. Electronic structure calculations with the TB-LMTO-ASA method support the metallic character of the two phases and suggest that the bonding is optimized in both phases. - Highlights: • Synthesis of Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases with high purity by arc-melting and sintering, respectively. • Magnetization data and electrical resistivity of the Cr{sub 5}B{sub 3}-type Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phases. • Crystal and electronic structure analysis for Ta{sub 5}Si{sub 3} and Ta{sub 5}Ge{sub 3} phase by X-ray diffraction and TB-LMTO-ASA calculations.

Order parameter in CeCu{sub 2}Si{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Vieyra, Hugo A.; Brando, Manuel; Oeschler, Niels; Seiro, Silvia; Geibel, Christoph; Steglich, Frank [Max-Planck-Institute for Chemical Physics of Solids, Dresden (Germany); Jeevan, Hirale S. [I. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany); Parker, David [US Naval Research Laboratory, Washington, DC (United States)

2011-07-01

Understanding the interplay between magnetism and unconventional superconductivity remains a key challenge in solid-state physics. A clear example is the archetypical heavy-fermion compound CeCu{sub 2}Si{sub 2} which exhibits superconductivity (T{sub c}=600 mK) in the vicinity of a magnetic quantum critical point. It is believed that magnetic fluctuations mediate superconductivity and its order parameter possesses d-wave symmetry, both ideas still under debate. In this work, a high-quality single crystal with a purely superconducting ground state (S type) has been chosen to investigate the low-temperature thermal- and electric-transport characteristics of the superconducting state. Non-vanishing contributions of low-energy quasiparticle excitations to the thermal transport ({kappa}{sub 0}/T>0) suggest the presence of nodal structure in CeCu{sub 2}Si{sub 2}. In turn, angle-dependent resistivity measurements of the upper critical field H{sub c2} point towards unconventional superconductivity with d-wave symmetry of the order parameter. Theoretical calculations reveal the strong influence of Pauli paramagnetic effects and a d{sub xy} symmetry of the gap function.

Spin rotation after a spin-independent scattering. Spin properties of an electron gas in a solid

International Nuclear Information System (INIS)

Zayets, V.

2014-01-01

It is shown that spin direction of an electron may not be conserved after a spin-independent scattering. The spin rotations occur due to a quantum-mechanical fact that when a quantum state is occupied by two electrons of opposite spins, the total spin of the state is zero and the spin direction of each electron cannot be determined. It is shown that it is possible to divide all conduction electrons into two group distinguished by their time-reversal symmetry. In the first group the electron spins are all directed in one direction. In the second group there are electrons of all spin directions. The number of electrons in each group is conserved after a spin-independent scattering. This makes it convenient to use these groups for the description of the magnetic properties of conduction electrons. The energy distribution of spins, the Pauli paramagnetism and the spin distribution in the ferromagnetic metals are described within the presented model. The effects of spin torque and spin-torque current are described. The origin of spin-transfer torque is explained within the presented model

Soliton generation via continuous stokes acoustic self-scattering of hypersonic waves in a paramagnetic crystal

International Nuclear Information System (INIS)

Bugay, A. N.; Sazonov, S. V.

2008-01-01

A new mechanism is proposed for continuous frequency down-conversion of acoustic waves propagating in a paramagnetic crystal at a low temperature in an applied magnetic field. A transverse hypersonic pulse generating a carrier-free longitudinal strain pulse via nonlinear effects is scattered by the generated pulse. This leads to a Stokes shift in the transverse hypersonic wave proportional to its intensity, and both pulses continue to propagate in the form of a mode-locked soliton. As the transverse-pulse frequency is Stokes shifted, its spectrum becomes narrower. This process can be effectively implemented only if the linear group velocity of the transverse hypersonic pulse equals the phase velocity of the longitudinal strain wave. These velocities are renormalized by spin-phonon coupling and can be made equal by adjusting the magnitude of the applied magnetic field. The transverse structure of the soliton depends on the sign of the group velocity dispersion of the transverse component. When the dispersion is positive, planar solitons can develop whose transverse component has a topological defect of dark vortex type and longitudinal component has a hole. In the opposite case, the formation of two-component acoustic 'bullets' or vortices localized in all directions is possible

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

Science.gov (United States)

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

2011-12-06

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

Evaluation of adriamycin nephropathy by an in vivo electron paramagnetic resonance

International Nuclear Information System (INIS)

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

2005-01-01

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