Perturbative Study of Bremsstrahlung and Pair-Production by Spin-½ Particles in the Aharonov–Bohm Potential

In the presence of an external Aharonov–Bohm potential, we investigate the two QED processes of the emission of a bremsstrahlung photon by an electron, and the production of an electron–positron pair by a single photon. Calculations are carried out using the Born approximation within the framework of covariant perturbation theory to lowest non-vanishing order in α. The matrix element for each process is derived, and the corresponding differential cross-section is calculated. In the non-relativistic limit, the resulting angular and spectral distributions and some polarization properties are considered, and compared to results of previous works.     

Study of defects in Fe–Re and Fe–Mo alloys by the Mössbauer and positron annihilation spectroscopies

The room temperature positron annihilation lifetime spectra and ⁵⁷Fe Mössbauer spectra were measured for pure Fe as well as for iron-based Fe_1?xRe_x and Fe_1?xMo_x solid solutions with x in the range 0.01≤x≤0.05. The measurements were performed in order to learn more about creation of structural defects during formation and further mechanical processing of the iron systems under consideration. The spectra were collected at least twice for each studied sample synthesized in an arc furnace—after cold rolling to the thickness of about 40 μm as well as after subsequent annealing at 1270 K for 2 h. It was found that in the annealed samples positrons live much shorter than in the not annealed ones which suggest that the latter samples are more defected as it could be expected. Moreover simultaneous analysis of the positron and Mössbauer data shows that cold rolling leads to creation of two types of defects. It seems that they are dislocations and vacancies. Finally from the Mössbauer data it follows that vacancies are located mainly in the vicinity of non-iron atoms, Re or Mo. This speaks in favour of the suggestion that in iron matrix the impurities mentioned above and vacancies interact attractively which supports the known from the literature, theoretical calculations on the Mo-vacancy interaction in iron.     

Symmetry and Fourier analysis of the ab initio-determined torsional variation of structural and Hessian-related quantities for application to vibration–torsion–rotation interactions in CH3OH

The aim of the present paper is to investigate the use of quantum chemistry calculations to obtain the torsional dependence of various structural and vibrational-force-field-related quantities that could help in estimating the vibration–torsion–rotation interaction terms needed to treat perturbations observed in the spectra of methanol-like molecules. We begin by using the Gaussian suite of programs to determine the steepest-descent path from a stationary point at the top of the internal rotation potential barrier in methanol to the equilibrium structure at the bottom of the barrier. This procedure requires determining the gradient ?V of the potential (as calculated in mass-weighted Cartesian coordinates) along the internal rotation path. In addition, we use the Gaussian suite to calculate the Hessian ??V along this path and to generate from these second derivatives the 3N ? 7 small-amplitude vibrational frequencies and the 3N Cartesian vibrational displacements for each of these vibrations. We then symmetrize the internal coordinates used in presenting the structures, gradients, Hessians and vibrational displacements along the path to take into account the periodic variation of the behavior of the three methyl hydrogen atoms H_i as they pass in turn through the C_s-plane of the HOC frame. The symmetrized linear combinations of the CH_i stretches, of the OCH_i bends, and of the HOCH_i dihedral angles of the methyl group depend on the internal rotation angle γ and they are determined by considering coordinate transformations from the G₆ permutation-inversion group appropriate for internally rotating methanol. This symmetrization procedure permits us to explore the feasibility of expressing the structures, gradients, Hessians, and vibrational displacement vectors along the internal rotation path as short Fourier series in γ, which is one of the main goals of this paper. In summary, we find that the symmetrized structures, gradients, and Hessians, as well as nine of the 11 projected vibrational frequencies and the vibrational displacement vectors for the three vibrations occurring primarily in the HOC frame can be expressed by short Fourier series expansions to their precision in the Gaussian output, and that these series involve only sin 3nγ or only cos 3nγ terms, as required by G₆ symmetry considerations. A preliminary discussion is given of why short Fourier expansions fail for the projected frequencies of the two methyl asymmetric stretches, and for the vibrational displacement vectors of the methyl group vibrational modes. Looking more closely at the symmetrized and projected 3N × 3N Hessian, we find algebraically that only elements in the (3N ? 7) × (3N ? 7) small-amplitude-vibrational block of the Hessian are useful for spectroscopic problems. Non-zero elements in the rest of the 3N × 3N symmetrized and projected Hessian cannot be converted into quantities needed for perturbation studies.     

A modified Einstein–Nernst relation between mobility and diffusion of charges to evaluate the non-equilibrium, transient processes of ions in electrolytes

Transient correction terms to the nonlinear differential equations, describing the dynamics of migration and diffusion of the ion charges in electrolytes, have been recently defined and numerically evaluated. The system of equations has been modified in accordance with the obtained non-equilibrium corrections and the system variables have been evaluated in the case when the corrections are space-averaged. The purpose of the present work is to obtain a general solution when both the time and space dependencies of the correction terms are preserved i.e. without space-averaging of the corrections. The obtained, under these conditions, set of dynamical equations has been analytically transformed to a simpler form, which is easier to be tackled numerically. The corrected results, in contrast to the results of uncorrected equations, show much faster convergence to equilibrium of the physical system and manifest the presence of characteristic pre-electrode maxima of the transient ion currents.     

Monitoring the pH-Dependent Oximation of Methyl Ethyl Ketone and Benzaldehyde by in situ Fourier Transform IR Spectroscopy in a Heterogeneous Liquid–Liquid Two-Phase System

In situ Fourier transform IR spectroscopy was a useful tool in monitoring the pH-dependent and two-step oximation of methyl ethyl ketone and benzaldehyde in a liquid–liquid two-phase system, one phase of which was water. Carrying out the oximations at pH 8, the oximation was complete within 45 min and the corresponding carbonyl compound–hydroxylamine adduct (2) could be detected as an intermediate, but at pH 10, the corresponding oxime (3) was formed faster, practically without the appearance of the intermediate. At pH ～ 2.5 using methyl ethyl ketone, the protonated form of the corresponding oxime (3'a) developed gradually without the transient appearance of the intermediate (2). pH dependence of the 3a → 3'a and 3'a → 3a interconversions were studied in separate experiments.     

A feasible method of improving the quantum yield of CdTe/CdS quantum dots by the first heating–cooling cycle and their application in cancer cell recognition

In this article, water-soluble CdTe/CdS quantum dots (QDs) were synthesized in aqueous solution with captosuccinic acid as stabilizer. The absorption and fluorescence spectra showed that the as-prepared QDs had good optical properties. It was observed that the quantum yield (QY) of QDs was greatly increased after a heating–cooling cycle (from 22 to 41%). Then, the QDs were used to prepare fluorescent probes. The experiment results showed that the transferrin (Tf) could conjugate to QDs effectively and the HepG2 cells could be recognized successfully. This study is of great significance for the preparation of high-quality QDs and their applications in life science.     

Chemical Analysis of Historic Art and Painting Conservation Materials (19th and 20th Centuries) from the National Museum in Krakow by Gas Chromatography–Mass Spectrometry and Fourier Transform Infrared Spectroscopy

Chemical composition of varnishes Vernis a Tableaux Vibert by Lefranc & Cie, Schutzfirnis für Oelgemalde Schmincke's Retuschier-Firnis by Schmincke & Co. Düsseldorf, Tempera-Firnis by Schmincke & Co. Düsseldorf, Bernstein-Gemaldefirniss für Ludwig'sche Petroleumfarben by Dr. Schoenfeld Düsseldorf, and Vernis Martin Pour Laquer by Lefranc & Cie Paris; oil medium Copal en pâte by Duroziez; essential oils Oleum Cupressi by Polak & Schwarz and Oleum Calami by Polak & Schwarz; fixative for charcoal, crayons, and pastels Nr 840/4 by Iskra & Karmański; and restoring medium for paintings Prof. Dr. Büttner's Phobus by Schmincke Düsseldorf were analyzed with gas chromatography–mass spectrometry. The analyses were conducted to obtain information about the exact composition of these products, which are stored at the National Museum in Krakow and were used by conservators. The results of research facilitate understanding of processes used in paintings and planning methods for their conservation.     

Nile Red Synchronous Scan Fluorescence Spectroscopy to Follow Matrix Modification in Sol–Gel Derived Media and its Effect on the Peroxidase Activity of cytochrome <Emphasis Type="Italic">c</Emphasis>

The highly solvatochromic dye Nile red is used in conjunction with synchronous scan fluorescence spectroscopy to elucidate changes in the internal environment of cytochrome c, upon incorporation into differently modified sol–gel derived media. Nile red was first studied in a variety of solvents in order to quantify changes in polarity. Matrix modifications involved the addition of several silanes, intended to interact with any unreacted hydroxyl entities left from the matrix forming reaction, while polymers were used to help reduce shrinkage and modify the internal pore environment. Slight unfolding of the protein was observed on incorporation into the sol–gel derived media. During the aging process further changes were monitored by using difference synchronous scan fluorescence spectra and complementary measurements of catalytic activity, expressed as the initial velocity. Combining Nile red synchronous scan fluorescence with cytochrome c activity data lead to a method to elucidate effects linked to protein conformation and those related to the sol–gel derived host. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Electronic and Magnetic States of Pr and Mn in the Pr<Subscript>1–<Emphasis Type="Italic">x</Emphasis></Subscript>Sr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>MnO<Subscript>3</Subscript> Films Studied by XANES and XMCD Spectroscopy

The spectral dependences of X-ray absorption near-edge spectroscopy (XANES) and X-ray magnetic circular dichroism (XMCD) and the field dependences of XMCD near the K edge of Mn and the L_2,3 edges of Pr in the Pr_0.8Sr_0.2MnO₃ and Pr_0.6Sr_0.4MnO₃ films at T = 90 K are studied. The spectral dependences point to a mixed valence state of Mn and Pr in the films. It is found that, as compared to XANES, XMCD is more sensitive to the valence state of Pr⁴⁺. The field dependences of XMCD point to ferromagnetic behavior of Mn ions and the Van Vleck paramagnetism of Pr ions, which makes a significant contribution to the total magnetization of the films. It is shown that as the Sr concentration increases, the XMCD intensity at the K edge of Mn increases, which indicates a growth of the total magnetic moment of the film due to an increase in the 4p–3d hybridization.