Effects of Quantum Interference on the Profile of Excitation Spectra in the Atomic Sodium D_1

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Energy Spectra of the Local States in the Forbidden Gap of Monoclinic TlInS2xSe2(1?x) Crystals

Near IR properties of the mixed TlInS_2xSe_2(1–x) have been studied previously by the present authors. In this work the temperature and frequency dependence's of the conductivity and the current-voltage characteristics (in relatively weak electric field), have been investigated for monoclinic TlInS_2xSe_2(1–x) crystals, which are perspective materials for IR applications. From the temperature dependence's of conductivity in the direction perpendicular to c- axis the band gap E^g = 2.22 eV was determined for --TlInS₂ crystals. The impurity centres were determined located at 0.43, 0.73 eV and 0.35, 0.48, 1.12 eV for the direction of current i//c and i c, respectively. The concentration of the centres located at 0.48 and 1.12 eV were calculated to be N_A – N_D = 4.8 · 10⁹ cm^–3 and 1.9 · 10¹¹ cm^–3, respectively. It was found that in the solid solutions TlInS_2xSe_2(1–x) for 0.3 x 1, the conductivity follows the dependence (v) = ₀·^s in the temperature range between 100 to 600 K. In the temperature range of 80-400 K charge bounce plays an important role in the conductivity mechanism. Occurrence of the deep and low-levels impurity centres and a tail of the density of energy states in TlInS_2xSe_2(1–x) crystals make them perspective for practical applications: switching and memory effects, N-type current-voltage characteristics, induced conductivity etc.     

Dynamics of the Spectra of Multiband Pc1 Pulsations in the Presence of Multiple Regions of Ion–Cyclotron Instability in the Magnetosphere

Radiophysics and Quantum Electronics - We study the dynamics of the spectra of multiband sporadic magnetic pulsations in the Pc1 range (0.2–5.0 Hz) during the event of 5–6 March 2011 by...     

Effect of 1-Aminoanthracene (1-AMA) Binding on the Structure of Three Lipocalin Proteins,the Dimeric β Lactoglobulin,the Dimeric Odorant Binding Protein and the Monomeric α<Subscript>1</Subscript>-Acid Glycoprotein. Fluorescence Spectra and Lifetimes Studies

We studied effect of 1-aminoanthracene (1-AMA) binding on the structures of dimeric β lactoglobulin, dimeric odorant binding protein (OBP) and monomeric α₁-acid glycoprotein (lipocalin family proteins) by monitoring fluorescence excitation spectra and measuring fluorescence lifetimes of the tryptophan residues of the proteins. Results show that binding of 1-AMA to β lactoglobulin and OBP modifies their conformation even at low probe concentration compared to that of the proteins. Structural modification induces a red shift of the fluorescence excitation spectra maximum of tryptophan residues accompanied with an increase of the third fluorescence lifetime and a decrease of its pre-exponential factor. These effects were not observed for α₁-acid glycoprotein, probably as the result of carbohydrate presence. These data raise doubts concerning use of 1-AMA as a probe to study biological properties of β lactoglobulin and OBP.     

Role of Intermolecular Interactions in Forming the Vibrational Spectra of Carbohydrate Nitrate Crystals in the Region 1600–1700 cm−1

To elucidate the role of intermolecular interactions in forming the vibrational spectra of the crystals of carbohydrate nitrates in the region 1600–1700 cm^–1, theoretical calculations are performed (in the approximation of an additive model of interatomic interactions with the use of the Green's functions) for the density of vibrational states and the intensity of absorption bands in the IR spectrum of a methyl--D-glucopyranoside tetranitrate molecule in a crystal. It is shown that the splitting of absorption bands in the IR spectral region under consideration relates to the crystal effect.     

Role of the Carbohydrate Moiety and of α-L-Fucose in the Stabilization and the Dynamics of the Lens culinaris Agglutinin–Glycoprotein Complex. A Fluorescence Study

Interaction between the fluorescent Lens culinaris agglutinin–fluorescein complex (LCA-FITC) and two glycoproteins, lactotransferrin (LTF) and serotransferrin (STF), was studied. The two glycoproteins have the same glycan structures, with one difference: the lactotransferrin glycans contain a fucose residue -1,6-linked to the N-acetylglucosamine residue involved in the N-glycosylamine linkage. Fluorescence intensity quenching of the LCA-FITC complex shows that affinity between LCA and lactotransferrin is 50 times higher than that between LCA and serotransferrin, the fucose playing a major role in this high affinity (K _a is equal to 9.66 and 0.188 M ^–1 for the LCA–LTF complex and LCA–STF complex, respectively). Time-resolved anisotropy decay indicates that the rotational correlation time of LCA (20 ns) does not change to a large extent whether the glycoproteins are bound to LCA or not. This suggests that there is no extended physical contact between LCA and the glycoproteins. The interaction between LCA and the glycoproteins occurs likely only via the carbohydrate chains, the STF and the LTF rotating almost-freely in the vicinity of LCA, with the glycans as an anchor.     

Infrared Spectra of Poly(Ethylene Terephthalate) γ-Irradiated in Organic Solvents

The infrared spectra of poly(ethylene terephthalate) γ-irradiated in presence of organic solvents were recorded over the spectral region 200–300 cm^?1. The analysis of these spectra showed that the combined effect of solvent and γ-irradiation results in appearance of two strong bands at 1550 and 1630 cm^?1, increase in the intensities of the gauche bands at 1450 and 1370 cm^?1 and decrease in the intensity of the trans-band at 1340 cm^?1. The aromatic ring C=C stretching band at 1410 cm^?1 was also affected. The profound spectral changes were observed only in samples irradiated in presence of solvents and were not observed in samples treated with solvents or only irradiated in atmosphere of air, these spectral changes were attributed to the changes in the intermolecular of intramolecular forces as a result of penetration of solvent molecules in the polymer and the ionizing effect of γ-iffadiation. It was found that the extent of the intensity variations depends on the nature of the solvent.     

Electronic Spectra of a Series of Iron(II) α-iminooxime Macrocyclic Complexes Containing Axial N-Heterocyclic Ligands

Abstract

The influence of the axial N-heterocyclic ligands on the charge-transfer spectra of a series of iron(II)-iminooxime macrocyclic complexes is reported. Spectral correlations are discussed, based on the deconvolution of the absorption profiles and on the dependence of the charge-transfer energies with the Hammett [sgrave]^+/- substituent parameters.     

The Infrared and Raman Spectra of β-and α-Tricalcium Phosphate (Ca3(Po4)2)

Factor group analysis was applied to interpret the vibrational spectra of β-and α-tricalcium phosphate (Ca₃(PO₄)₂). The analysis predicts the number of bands formed due to the splitting of the fundamental vibrational modes of the PO₄ ^3-ion. The number of the infrared and Raman bands predicted by this analysis for the two phases are drastically different and can be ascribed to the difference in atomic arrangements in the two phases resulting in greater shielding of the PO₄ ^3-ions in the β-phase than in the α-phase. Discrepancies in the number of predicted and experimentally-observed bands can be attributed to the weak intensities of some vibrational modes or the convolution of vibrations and limited spectral resolution.     

Spectral and Photophysical Properties of α-carboline (1-Azacarbazole) in Aqueous Solutions

The absorption and fluorescence spectra of α-carboline, 9H-pyrido[2,3-b]indole, AC, in organic aprotic solvents containing different water proportions and in acid/base aqueous solutions inside and outside the pH range have been examined. In the organic aprotic solvents, the addition of increasing concentrations of water sequentially quenches and shifts to the red the fluorescence spectra of AC. These spectral changes have been rationalized assuming the formation, at the lower water concentrations, of a discrete ground state non-cyclic weakly fluorescent AC hydrate emitting at 376 nm that, upon increasing the water concentrations, evolves to a higher order AC poly hydrate emitting at 397 nm. The changes of the AC absorption spectra in aqueous acid/basic solutions indicate the existence of three ground state prototropic species; the pyridinic protonated cation, C (pK_a?=?4.10?±?0.05), the neutral, N (pK_a?=?14.5?±?0.2), and the pyrrolic deprotonated anion, A. Conversely, the changes of the AC fluorescence spectra in these media indicate the existence of four excited state species emitting at 376 nm, 397 nm, 460 nm and 465 nm. Since the emissions at 376 nm and 397 nm satisfactorily match those of the hydrates observed in the organic-water mixtures, they were consistently assigned to two differently hydrated ground state N species. The remaining emissions at 460 nm and 465 nm have been assigned without ambiguity, on the basis of their excitation spectra, to the C and A species, respectively. The excited-state pK_as of the prototropic species of AC have been estimated by using the Förster-Weller cycle.     

On the Reasons of Assymetricity of the Shape of Contour of Vibrational Line ν1(A 1) in Raman Spectra of LiNO3 Melt

Optics and Spectroscopy - The reasons leading to the asymmetry of the shape of the ν1(А1) contour of the nitrate ion in the spectra of lithium nitrate melts were analyzed. It was shown...     

Excitation and structure of hypernuclear resonances in (K −,π ¯0)-reactions on 1p-shell nuclei

The available experimental data on the excitation functions (EF) of the 1p-shellΛ-hy-pernuclei in (K ^?, π^?) reactions atθ _π = 0^° has been analysed in terms of shell model and weak coupling scheme. It is substantiated by the experimental data on the neutron spectroscopic factors and on the fragmentation of nuclear hole excitations. The pronounced nuclear spectroscopic characteristics in the hypernuclear spectra are indicative of a weak coupling ofΛ-hyperon with nuclear subsystem. The analysis has made it possible to determine the difference is single-particle energies ofΛ-hyperon in the 1p- and 1s-states and to obtain additional evidence for the smallness of theΛ-nucleus spin-orbit interaction. The resonance structure of EF of hypernuclei, which were not studied in (K ^?,π ₀ ^? ) reactions, is predicted. The interrelated aspects of the studies of the (K ^?,π ₀ ^? ), (K ^?,π ₀ ^? β^′), and (K ^?, π⁺) reactions which are of interest to spectroscopy ofΛ-andΣ-hypernuclei are discussed.     

Constrained Correlation Dynamics of QED in Canonical Form(Ⅱ)Equal Time Limit and Two-Body Correlation Dynamics

The equations of motion for multi-time correlation Green's functions are transformed into those for equal-time correlation Green's functions,which include the equations of motion for electron's and photon's density matrices as well as vertex functions.In two-body correlation truncation approximation,we present the explicit expressions for the equations of motion,Gauss law and Ward identities explicitly.     

Spectra of carbon disulphide in the 3400–4400 cm−1 region by Fourier transform spectroscopy

Fourier transform spectra have been recorded for carbon disulphide (CS₂) in the region between 3400 cm^?1 and 4400 cm^?1. A data analysis has determined new molecular constants: 14 bands were observed for the main isotopic form ¹²C³²S₂, two bands for the isotopomer ¹²C³²S³⁴S and one each for ¹²C³²S³³S and ¹³C³²S₂.     

Mechanism for Conversion of the Type of Conductivity in p-Hg1–xCdxTe Crystals upon Bombardment by Low-Energy Ions

The main peculiarities of the p–n conversion of the type of conductivity in narrow-band p-Hg_1–x Cd _x Te solid solutions containing vacancies of mercury upon bombardment by low-energy ions are explained based on the traditional notions about the chemical diffusion of mercury. These peculiarities are related, on the one hand, to the features of the defect formation in Hg_0.8Cd_0.2Te (containing a small amount of high-mobility interstitial mercury atoms with a great amount of low-mobility vacancies) and, on the other hand, to the high concentrations of intrinsic electrons and holes efficiently screening the electric field of the defect layer. The high conversion rate realized upon ion bombardment, as compared to the conversion rate taking place upon annealing in mercury vapors, is due to the fact that nonequilibrium interstitial mercury atoms are produced in abundance near the surface of the crystal subject to bombardment. This effect depends substantially on the electric field appearing near the outer boundary of the converted layer; therefore, as the Hg content, and, hence, the width of the forbidden band, is increased, one should expect a noticeable decrease in p-n conversion rate.     

Arrays of Charged (±2π)-Twist Disclinations in Ferroelectric Liquid Crystals

The notion of an electrostatic charge of (±2)-twist disclinations is used to approximate the evaluation of the electrostatic interaction energy among disclinations forming arrays in finite samples of ferroelectric chiral smectic C liquid crystals. Screening effects of free charges in a material surrounding the disclination are taken into account by introducing a phenomenological depolarisation factor.The electrostatic interaction energy is important in chiral smectic C materials with high values of the spontaneous polarisation when screening effects of free charges are small. Then the electrostatic interaction leads to elimination of disclinations from the sample. When there is a high concentration of free charges in the sample (smaller value of depolarisation factor), the electrostatic interaction energy is of the order of the elastic interaction energy of disclinations what influences the equilibrium of disclination arrays in the sample. Two disclination configurations are considered. In the Brunet-Williams configuration the disclinations of opposite topological charge have also the opposite electrostatic charge so their attraction is augmented. This attraction can be balanced by the helical structure in the central part of the sample when the sample thickness is rather high.On the contrary, in the Glogarová-Pavel configuration the disclinations of opposite topological charge have the electrostatic charge of the same sign. The equilibrium in this configuration is either a balance of elastic attraction and electrostatic repulsion if elastic and Coulomb forces are of the same order or it is governed by the value of the anchoring energy when electrostatic interaction prevails over the elastic one.     

Isotope Effects During Metabolism of (±)-Tramadol Isotopomers by Human Liver Microsomes

Tramadol (T), racemic 1(e)-(m-methoxyphenyl)-2(e)-(dimethylaminomethyl)-cyclohexane-1(a)-ol is an effective analgesic drug. Metabolites were formed by O- and N-demethylation. Six deuterated tramadol isotopomers have been synthesized; their kinetic isotope effects in oxidative demethylation reactions were investigated in vitro using human liver microsomes. In comparison to unlabelled (±)-tramadol, (±)-T-OCD₃ and (±)-T-D₉ displayed an unequivocal (< 3), (±)-T-ND₆ and (±)-T-ND₃ a noticeable, and (±)-T-cyclohexyl-D₃ as well as (±)-T-¹⁵ND₂ no measurable isotope effect. Metabolic switching (favoring the N-demethylation) was observed only after incubation of a tramadol with a trideuterated methoxy group. Additional N-CD₃-groups prevented this metabolic switching. Metabolic switching favoring the O-demethylation was not observed. The isoenzyme responsible for the O-demethylation was always saturated under the experimental conditions required to detect the metabolites.

The two tramadol isotopomers containing deuterium in metabolic inert positions (other than the methyl groups, i.e., (±)-T-¹⁵ND₂ and (±)-T-cyclohexyl-D₃) were expected to display no isotope effects. This expectation could be verified in this study.