On the effect of inhomogeneous magnetoelectric (flexomagnetoelectric) interaction on the spectrum and properties of magnons in multiferroics

The features of the magnon spectrum in easy-plane multiferroics (such as BiFeO₃), which allow inhomogeneous magnetoelectric (flexomagnetoelectric) interaction P[(L?)L ? LdivL], where L and P are the antiferromagnetic moment and electric polarization, respectively, have been theoretically analyzed. It has been shown that, in contrast to the magnon spectrum of a usual easy-plane antiferromagnet, a multiferroic with this magnetic structure is characterized by, first, the interaction between magnons of both branches propagating along the weak ferromagnetic moment and the appearance of a minimum (or zero) of the frequency of one of the branches, which reflects the instability of the system with respect to the transition to an inhomogeneous state with increasing flexomagnetoelectric interaction and, second, the nonequivalence (nonreciprocity) of the propagation of spin waves along and against the antiferromagnetism vector, which coincides with the toroidal moment in this system.     

Magnetic and electronic properties of Cr- and Mn-doped SnO2: ab initio calculations

The ab initio calculations, based on the Korringa–Kohn–Rostoker (KKR) approximation method combined with the coherent potential approximation (CPA), indicated as KKR–CPA, have been used to study the stability of ferromagnetic and ferrimagnetic states, for systems that are SnO₂ doped and co-doped with two transition metals, that is, chromium and manganese. Our results indicate that the ferromagnetic state is more stable than the spin-glass state for the (Sn_1−xCr_xO₂; x = 0.07, 0.09, 0.12 and 0.15)-doped system, while the spin-glass state is more stable than the ferromagnetic state for the (Sn_1−xMn_xO₂; x = 0.02 and 0.05)-doped system. However, the ferromagnetic and/or the ferrimagnetic states are stable for the (Sn_0.98−xMn_0.02Cr_xO₂; x = 0.05, 0.09 and 0.13)-doped system depending on the Cr concentration. Moreover, we estimated the Curie temperature (T_c) for the Cr-doped tin dioxide (SnO₂), and we explained the origin of magnetic behaviour through the total density of states for different doped and co-doped SnO₂ systems.     

Schwarzian derivative as a proof of the chaotic behaviour

In recent years, a sufficient condition for determining chaotic behaviours of the non-linear systems has been characterized by the negative Schwarzian derivative (Hac?bekiro?lu et al, Nonlinear Anal.: Real World Appl. 10, 1270 (2009)). In this work, the Schwarzian derivative has been calculated for investigating the quantum chaotic transition points in the high-temperature superconducting frame of reference, which is known as a nonlinear dynamical system that displays some macroscopic quantum effects. In our previous works, two quantum chaotic transition points of the critical transition temperature, T _c, and paramagnetic Meissner transition temperature, T _PME, have been phenomenologically predicted for the mercury-based high-temperature superconductors (Onba?l? et al, Chaos, Solitons and Fractals 42, 1980 (2009); Aslan et al, J. Phys.: Conf. Ser. 153, 012002 (2009); Çataltepe, Superconductor (Sciyo Company, India, 2010)). The T _c, at which the one-dimensional global gauge symmetry is spontaneously broken, refers to the second-order phase transition, whereas the T _PME, at which time reversal symmetry is broken, indicates the change in the direction of orbital current in the system (Onba?l? et al, Chaos, Solitons and Fractals 42, 1980 (2009)). In this context, the chaotic behaviour of the mercury-based high-temperature superconductors has been investigated by means of the Schwarzian derivative of the magnetic moment versus temperature. In all calculations, the Schwarzian derivatives have been found to be negative at both T _c and T _PME which are in agreement with the chaotic behaviour of the system.     

Synthesis and EPR spectroscopy of nitroxyl derivatives of the C60 fullerene

The 2,2,5,5-tetramethyl-3-imidazoline-3-oxy-1-oxyl-4-(azidophenyl) derivatives of the C₆₀ fullerene with one (compound I), two (compound II), and three (compound III) nitroxyl groups are synthesized and studied by EPR spectroscopy. It is demonstrated that successive addition of nitroxyl radicals to C₆₀ leads to a decrease in the rotational mobility of molecules. Chromatographically inseparable isomers are found for compounds II and III.     

On Monoids in the Category of Sets and Relations

The category R e l is the category of sets (objects) and relations (morphisms). Equipped with the direct product of sets, R e l is a monoidal category. Moreover, R e l is a locally posetal 2-category, since every homset R e l(A,B) is a poset with respect to inclusion. We examine the 2-category of monoids R e l M o n in this category. The morphism we use are lax. This category includes, as subcategories, various interesting classes: hypergroups, partial monoids (which include various types of quantum logics, for example effect algebras) and small categories. We show how the 2-categorical structure gives rise to several previously defined notions in these categories, for example certain types of congruence relations on generalized effect algebras. This explains where these definitions come from.     

Three-dimensional magnetic properties of soft magnetic composite materials

A three-dimensional (3-D) magnetic property measurement system, which can control the three components of the magnetic flux density B vector and measure the magnetic field strength H vector in a cubic sample of soft magnetic material, has been developed and calibrated. This paper studies the relationship between the B and H loci in 3-D space, and the power losses features of a soft magnetic composite when the B loci are controlled to be circles with increasing magnitudes and ellipses evolving from a straight line to circle in three orthogonal planes. It is found that the B and H loci lie in the same magnetization plane, but the H loci and power losses strongly depend on the orientation, position, and process of magnetization. On the other hand, the H vector evolves into a unique locus, and the power loss approaches a unique value, respectively, when the B vector evolves into the round locus with the same magnitude from either a series of circles or ellipses.     

Role of critical fluctuations in the formation of a skyrmion lattice in MnSi

The region in the H–T phase diagram near the critical temperature (T _c ) of the cubic helicoidal MnSi magnet is comprehensively studied by small-angle neutron diffraction. Magnetic field H is applied along the [111] axis. The experimental geometry is chosen to simultaneously observe the following three different magnetic states of the system: (a) critical fluctuations of a spin spiral with randomly orientated wavevector k _f , (b) conical structure with k _c ∥ H, and (c) hexagonal skyrmion lattice with k_sk ⊥ H. Both states (conical structure, and skyrmion lattice) are shown to exist above critical temperature T _c = 29 K against the background of the critical fluctuations of a spin spiral. The conical lattice is present up to the temperatures where fluctuation correlation length ξ becomes comparable with pitch of spiral d _s . The skyrmion lattice is localized near T _c and is related to the fluctuations of a spiral with correlation length ξ ≈ 2d _s , and the propagation vector is normal to the field (k_sk ⊥ H). These spiral fluctuations are assumed to be the defects that stabilize the skyrmion lattice and promote its formation.     

Antiproton reflection by a solid surface

The AE?IS experiment (Antimatter Experiment: Gravity, Interferometry, Spectroscopy (Drobychev et al., 2007)), aims at directly measuring the gravitational acceleration g on a beam of cold antihydrogen ( $\overline{\rm H}$ ). After production, the $\overline{\rm H}$ atoms will be driven to fly horizontally with a velocity of a few 100 m/s for a path length of about 1 meter. The small deflection, few tens of μm, will be measured using two material gratings coupled to a position-sensitive detector working as a Moiré deflectometer similarly to what has been done with atoms (Oberthaler et al., Phys Rev A 54:3165, 1996). Details about the detection of the $\overline{\rm H}$ annihilation point at the end of the flight path with a position-sensitive microstrip detector and a silicon tracker system will be discussed.     

Organic radical molecular solids based on [(TCNQ)n] (n=1 or 2): Syntheses, crystal structures, magnetic properties and DFT analyses

Four molecular solids consisting of the 7,7,8,8-tetracyanoquinodimethane (TCNQ) radical and benzylpyridinium or benzylquinolinium derivatives with molar ratios of 1:1 (1-3) and 2:1 (4) have been prepared and characterized. In the crystals of 1 and 3, TCNQ⁻ monoanions and the corresponding cations form segregated stacks, which are regular in 1 but irregular in 3. Instead of segregated stacks, TCNQ⁻ monoanions in 2 form isolated π-dimers. In the crystals of 4, two crystallographic independent TCNQ species possess almost equal fractional negative charge (ca. −0.5). Two types of TCNQ species form a tetrad, these tetrads make a TCNQ stack with the pattern …BAAB…BAAB… along the crystallographic a-b direction. The magnetisms for 1-4 can be simply explained by the formation of singlet spin state. A broken symmetry approach in a density functional theory framework at the ub3lyp/6-31 g level was used to calculate the magnetic exchange constants in 1-4. The results qualitatively demonstrate the observed magnetic properties.     

<Emphasis Type="Italic">T</Emphasis>-invariance conditions for sequential multistep statistical nuclear reactions

A generalized version of the R-matrix theory is used to determine the amplitudes of sequential n-step statistical nuclear reactions. T-invariance conditions for these amplitudes are analyzed. Within the scope of the unified theory, integral formulas are constructed for the decay amplitudes of the intermediate states of compound nuclei via the matrix elements QHP of the system Hamiltonian H, where Q and P operators perform projections onto resonance and energy-continuous states of the system, respectively.     

Three-wave mixing and light diffraction by transient light induced gratings for the study of fast relaxation processes

The action of two successive intense ultrashort coherent light pulses with different wave vectorsk ₁ andk ₂ on a nonlinear inhomogeneously broadened medium is considered. The resulting spatial and temporal polarization and saturation structure is calculated within a two level density matrix approach. Without use of perturbation theory, both the dynamic behaviour of the nonlinear medium under hole burning conditions and the temporal behaviour of the output pulse in the2k ₁ -k ₂ direction generated by the polarization of the medium during and after the action of the second pulse are discussed. The diffraction of a third probe pulse by the saturation grating as well as by the polarization of the medium is calculated. Possibilities for measuring the longitudinal, transverse and inhomogeneous relaxation times are discussed.     

A practical multi-step synthesis of ethyl N-functionalized $$\varvec{\upbeta }$$-amino benzimidazole acrylate derivatives as promising cytotoxic agents

A series of 16 new ethyl \(\upbeta \)-amino benzimidazole acrylate derivatives 12(a–p) with a (2E)-s-cis/trans conformation and bearing two points of diversity was designed and synthesized by using a multi-step strategy (reductive amination, deprotection in acidic media and transamination) in moderate to good yields from ethyl 3-dimethylamino-2-(1H-benzimidazol-2-yl)acrylate (5) and monosubstituted N-Boc diamines (7a,7b) as starting building blocks. Products 12 were evaluated for their in vitro cytotoxic potential against six selected human cell lines (Huh7-D12, Caco2, MDA-MB231, HCT116, PC3 and NCI-H727). Compounds 12a, 12e and 12l exhibited selective and micromolar antitumor activities against Huh7-D12 and Caco2 cell lines.     

Phosphorus(V)corrole- Porphyrin Based Hetero Trimers: Synthesis,Spectroscopy and Photochemistry

‘Axial-bonding’-type hetero trimers have been constructed by employing a simple ‘inorganic’ reaction such as axial bond formation of main group element containing phosphorus corrole. The approach is simple and modular in nature. The architecture of these hetero trimers such that, while a phosphorus(V)corrole forms the basal scaffolding unit, either two free-base porphyrins [(H ₂ ) ₂ –PCor] or Zn^II porphyrins [(Zn) ₂ –PCor] occupy the two axial sites via an aryloxy bridge. Both hetero trimeric species have been completely characterized by mass (FAB), UV/Vis, proton nuclear magnetic resonance spectroscopies and also by the differential pulse voltammetric method. Comparison of their spectroscopic and electrochemical data of these trimers with those of the corresponding reference compounds reveal that there is no apparent ring-to-ring interactions in these ‘vertically’ linked hetero trimers. Reduced fluorescence quantum yields were observed for [(H ₂ ) ₂ –PCor] and [(Zn) ₂ –PCor] when compared to corresponding monomeric chromophores. Finally, a comparison is made between the presently reported phosphorus(V)corrole based hetero arrays and the previously reported analogous arrays based on Ge(IV)corrole with regard to their spectroscopic properties and photochemical activities.     

Aging effect in CaLaBa{Cu1???xFex}3O7???�� with 0 �� x �� 0.07 studied by M?ssbauer spectroscopy

In this work, we study the long-term aging effect caused by Fe atoms in the superconductor CaLaBa{Cu_1???xFe_x}₃O_7????? with 0 ?? x ?? 0.07. XRD confirms that this system has a YBCO-like structure. The critical temperature (T_c) is strongly affected by aging and depends on the amount of Fe in the structure. Room temperature Mössbauer spectroscopy reveals the presence of the typical species A, B?CB ??, C and new species E ?? and F. Interestingly; A, which corresponds to the Fe^3?+? atom located in the Cu(1) of the chains with spin S _z = 3/2, shows a drastic reduction which means migration to the species B, B ?? and C. Species B and B ?? correspond to the Fe^3?+? in the Cu(2) site forming planar quasi-octahedral and planar square pyramidal, while the C specie is a square pyramidal with O(5) respectively (spin S_z = 3/2 in all these cases). Aging causes loss of superconductivity in the samples with 5 and 7% of iron content.     

Special features of the electric components of acoustic waves in the vicinity of nonpiezoactive directions in crystals

The conditions of existence of the zero components of electric field E and electric induction D accompanying a volume acoustic wave propagating in a piezoelectric medium have been studied. General equations describing the positions of the zero-field lines E(m) = 0 and the zero-induction points m₀, such that D(m₀) = 0 on the unit sphere (m² = 1) of the wave propagation directions, are obtained. General theorems determining the conditions ensuring the existence of such lines and points, even in triclinic crystals, are formulated. The relationship between such directions and various elements of the crystal symmetry is analyzed. The vector fields D(m), which are always orthogonal to the wave normals m, in the vicinity of the zero-induction points m₀ exhibit certain orientational singularities characterized by the Poincaré indices n = 0, ±1, ±2. The general analytical expressions are obtained for the n values in crystals with arbitrary anisotropy and specified for a number of crystals belonging to various symmetry classes. The conditions of stability of the orientational singularities with respect to small perturbations of the material moduli and a change in the crystal symmetry are considered.     

Two-dimensional representation of position, velocity and acceleration by PFG-NMR

A novel view on the presentation of pulsed field-gradient nuclear magnetic resonance experiments to encode position and translational displacements is given. A conventional diffusion or flow experiment employing two magnetic field gradients of effective areak ₁, andk ₂ separated by a time interval Δ can formally be expressed as a means to probek space in a two-dimensional way. While for most applications, a full coverage of the [k ₁,k ₂] space is not necessary, an experiment withk ₁ = ?k ₂ can be regarded as a sampling of the secondary diagonal in [k ₁,k ₂] space. Likewise, the main diagonal is represented by the conditionk ₁ =k ₂ and encodes position. Thus, the [r ₁,r ₂] space conjugate to [k ₁,k ₂], which is obtained by Fourier transformation, can be transferred into a position/displacement correlation plot simply by rotation of the coordinate system by an angle of 45°. While displacementR =r ₂ ?r ₁ corresponds to an average velocity? =R/Δ, an extension towards higher-order derivations such as acceleration is straightforward by modification of the pulse sequence. We discuss this new concept in a general way, treating both the magnetic field and the particle position by Taylor expansions with respect to space and time, respectively, and present examples for fluid flowing through capillary systems in the light of the suggested interpretation.     

Electrostatic interaction between two macroparticles in the Poisson-Boltzmann model

Considering the electrostatic energy of the system of two macroparticles in a plasma in the Poisson-Boltzmann model, Resendes et al. [Phys. Lett. A 239, 181 (1998)], Ivanov [Phys. Lett. A 290, 304 (2001)], Gerasimov and Sinkevich {Teplofiz. Vys. Temp. 37, 853 (1999) [High Temp. 37, 823 (1999)]}, and D’achkov {Teplofiz. Vys. Temp. 43, 331 (2005) [High Temp. 43, 322 (2005)]} conclude that attraction between identically charged macroparticles is possible. In the Poisson-Boltzmann model, the distribution of electrons and ions has the Boltzmann form in a self-consistent field that is determined by the Poisson equation. In this work, on the basis of the analysis of the force between two macroparticles in a plasma by using the Maxwell stress tensor, it has been shown that two macroparticles with the same charge always repulse each other in both isothermal and nonisothermal plasmas. The interaction between macroparticles at distances, where Boltzmann exponentials can be linearized, is completely described by the Debye-Hückel theory. The free energy of the system of two particles has been found. It coincides with the Yukawa potential and has no minimum; therefore, such a system is thermodynamically unstable. Since the interaction energy obtained by integrating the interaction force coincides with the free energy of the electric field, the interaction between two macroparticles in the equilibrium plasma is potential.     

Photon electrodynamics and photon structure as a bunch of one of many possible states of electromagnetic field

Fundamental laws of conservation are used to show that electromagnetic field is generally represented (even in vacuum at ρ = 0 and j = 0) using four vectors D, E, B, and H with different equations of state (material equations) that are linear for electromagnetic waves and nonlinear for photons and particles. An equation that describes different states of electromagnetic field (i.e., different but not arbitrary relationships of field vectors E, H, D, and B) is derived. It is shown that electromagnetic wave and photon are different states of electromagnetic field that exhibit different dependences of energy density on field vectors. Partial analytical solutions are obtained for a photon (spatially localized bunch of electromagnetic field energy) that propagates at a velocity of light along a single (as distinct from electromagnetic wave) direction.     

Identification of a novel putative inhibitor of the <Emphasis Type="BoldItalic">Plasmodium falciparum</Emphasis> purine nucleoside phosphorylase: exploring the purine salvage pathway to design new antimalarial drugs

Malaria, a tropical parasitic disease caused by Plasmodium spp., continues to place a heavy social burden, with almost 200 million cases and more than 580,000 deaths per year. Plasmodium falciparum purine nucleoside phosphorylase (PfPNP) can be targeted for antimalarial drug design since its inhibition kills malaria parasites both in vitro and in vivo. Although the currently known inhibitors of PfPNP, immucillins, are orally available and of low toxicity to animals and humans, to the best of our knowledge, none of these compounds has entered clinical trials for the treatment of malaria. Using a pharmacophore-based virtual screening coupled to a consensual molecular docking approach, we identified 59 potential PfPNP inhibitors that are predicted to be orally absorbed in a Caco-2 cell model. Although most of these compounds are predicted to have high plasma protein binding levels, poor water solubility (except for compound 25) and CYP3A4 metabolic stability (except for 4, 7 and 8), four structures (4, 7, 8 and 25) remain as potential leads because of their plausible interaction with a specific hydrophobic pocket of PfPNP, which would confer them higher selectivity for PfPNP over human PNP. Additionally, both predicted Gibbs free energies for binding and molecular dynamics suggest that compound 4 may form a more stable complex with PfPNP than 5\(^{\prime }\)-methylthio-immucillin-H, a potent and selective inhibitor of PfPNP.     

A Pulsed EPR and DFT Investigation of the Stabilization of Coordinated Phenoxyl Radicals in a Series of Cobalt Schiff-Base Complexes

We recently demonstrated how the aerobic addition of acetic acid to N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino Co^II, [Co(1)], leads to the formation of an unusual coordinated Co^III-phenoxyl radical. In this work, some of the structural aspects associated with the Schiff-base-derived ligand (1) that are crucial for the acid-mediated formation of the phenoxyl radical are investigated. For comparison with [Co(1)], we therefore studied the influence of acetic acid on two complexes: (1) the N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-ethane-diamino Co^II complex, [Co(2)], that lacks the cyclohexyl group of [Co(1)], and (2) the N′-disalicylidene-ethylenediamine Co^II salen complex, [Co(3)], that lacks both the tertiary butyl groups and the cyclohexyl groups. It is shown that the cyclohexyl group of [Co(1)] is not involved in the formation or stabilization of the phenoxyl radical, whereas the tertiary butyl groups of [Co(1)] play a crucial role. In addition, the characteristics of the phenoxyl radical, formed after aerobic addition of acetic acid to [Co(2)], are analyzed in detail by pulsed electron paramagnetic resonance, in combination with isotopic labeling. The experimental data are compared to density functional theory computations and to previous data on the acid-mediated phenoxyl radical of [Co(1)].