We have studied the influence of the structure of anionic axial ligands in phthalocyanine complexes of group IIIA and group IVA metals and intermolecular interactions on the absorption spectra of macroheterocycles in solutions, in an organic polymer, and nanoporous silicate gel matrices. It is shown that an effective process of substitution of the anionic ligands Cl^- of the central metal ion for hydroxyl groups OH^- takes place at the stage of synthesis and purification of metallophthalocyanines. The study of the solid-state nanoporous samples obtained by the sol-gel method showed that, in the organo-inorganic silicate material activated by hydroxoaluminum-phthalocyanine, the activator molecules are in a monomeric form. Optically homogeneous luminescent xerogel can be used in optical devices for the wavelength range adjacent to the near-IR region.

The n(ОН) stretching mode bands in IR spectra of the solutions of five o-vinylphenol homologues (o-VPh) in CCl₄ and n-hexane low polarity solvents were studied. Several rotamers with a free OH group were found in the solution of o-VPh and its methyl substituted in n-hexane. According to the calculations by the B3LYP/cc-pVTZ method, the proportion of rotamers in o-VPh homologues with intramolecular hydrogen bond О-Н…p (IHB) varies from 22 to 97% in the gas and in the cyclohexane medium. Theoretical values of the effective enthalpy -ΔН of its IHB vary in the range 0.20-2.24 kcal/mol.

The acid-base properties of azo dyes of different structures in aqueous solutions were studied using the methods of colorimetry and spectrophotometry with chemometric data processing. A comparative analysis of the capabilities of both methods was carried out. It was established that it possible to determine the ionization constants of all the functional groups of the azo compounds studied using the data on the change in the specific color difference depending on the acidity of the medium. It was shown that the use of colorimetric functions of ion-molecule forms of azo-compounds as an analytical signal allows obtaining complete information of the acid-base equilibrium in a wide range of acidity.

Bands characterizing the carbon content in alkyl (7177-7205 cm^{- 1} ) and phenyl (9175-9192 cm^{- 1} ) structural fragments of individual organic compounds were revealed by studying the absorption spectra in the near infrared region 6510-9510 cm^{- 1} . It was found that the dependence of the optical density in the maxima of these absorption bands on the fraction of carbon atoms in the corresponding fragments of molecules has direct character with a strong correlation link. The developed models were proved to be adequate for evaluation of carbon atoms quantity in alkyl-aromatic ethers and phenyl-ketones. The possibility of modeling of the alkyl aromatic esters molecular structure using the obtained regression models was demonstrated on the example of the condensation product of oleic acid and benzyl alcohol synthesized in the laboratory.

The method of electron-photon spectroscopy was applied to an important class of six-membered heterocyclic compounds-pyrimidine nitrogen bases, which are part of nucleic acids. Excited by electron bombarding with energy of 600 eV in a high vacuum, luminescence spectrum of uracil molecules adsorbed on the ceramic surface was analyzed. Broad bands with maxima at 335, 435, and 495 nm were found in the UV and visible regions. The most intense band (l = 335 nm) is related to fluorescence and corresponds to the singlet-singlet transition from the first excited electronic state to the ground state of the molecule. Less intense phosphorescence band (l = 435 nm) is formed by electron transitions from the triplet Т₁ to the ground state. The nature of the band with a maximum of 495 nm is discussed. The obtained luminescence spectrum is compared with the photoluminescence spectra in different phase states.

A comparative study of low temperature thermoluminescence (5-120 K) of silicon organic polymer poly(di-n-hexylsilane) films, nanocomposites (when the polymer is introduced into nanopores of silica МСМ-41 and SBA-15 with diameter of pores 2.8 and 10 nm) as well as solutions of polymer in tetrahydrofuran with different concentration from 10^-3 to 10^-5 mol/L was carried out. It was shown the possibility to control the number of traps for charge carriers, as well as their energy distribution by changing the diameter of silica nanopores. It is established that maxima and half-widths of the thermoluminescence curves of nanocomposites significantly depend on the pore diameter of the nanoporous silica. This result agrees with the data obtained in the investigation of polymer solutions. In the nanocomposite with a minimum pore diameter (2.8 nm), the number and depth of the traps as well as dispersion of their energy are significantly reduced in compare to their values in the polymer film .

An iterative method is developed to obtain the vibrational spectrum of laser organic dyes from the spectra of their secondary radiation which manifests itself in multiply scattering media as a coupled process of chaotic generation (CG) and stimulated Raman scattering (SRS). The developed method significantly increases the detection capabilities of weak Raman lines due to the batch processing of a set of experimental SRS-CG spectra, which makes it possible to optimize decomposition of these spectra and averaging of the vibrational spectra obtained from the set of experimental SRS-CG spectra. The method was tested on the spectra of an SRS-CG laser dye of pyromete 597 in a vesicular film. The results obtained are in good agreement with the Raman spectra calculated by the Hartree-Fock method.

We has been studied the temperature effect on the photoluminescence and absorption of the active medium (erbium phosphate glass of the LGS-DE type) and the passive Q-switch (Co²⁺:MgAl₂O₄ crystal) of a diode-side pumped Yb,Er-laser. The obtained data are applied to the analysis of the spectral and energetic characteristics of compact erbium emitters. It is established that within the temperature range 233-328 K the dominating lasing channel is the optical transition between the lower Stark sublevels of the erbium ion states⁴I_13/2 and⁴I_15/2 (l = 1532.0-1533.9 nm). The rate equations system taking into account the thermal population of the Stark sublevels of the states⁴I_13/2 and⁴I_15/2 has been proposed for the description of the experimental temperature dependence of the threshold absorbed power of the pumping radiation. This system can be also applied for modeling the energetic and temporal characteristics of Yb,Er-emitters.

X-ray photoelectron spectroscopy is used to detect the formation of different chlorometallate anions and to differentiate the electronic environment of each element present in chlorometallate anions. The impact of the degree of the charge delocalization of chlorometallate anions on the Cl 2p binding energy is demonstrated in detail. The basicity of chlorostannate and chloroferrate anions is estimated based upon the measured N 1s binding energy. It is found that chlorostannate and chloroferrate anions can be considered as the least basic anions.

We investigated the Raman spectra and conductivity of KCH₃COO-Ca(CH₃COO)₂ and LiCH₃COO-KCH₃COO-CsCH₃COO vitrified acetate systems doped with fine powders of Al₂O₃ and SiO₂ at various concentrations. It is established that for the temperature lower than that of the glass formation the addition of fine powders of Al₂O₃ and SiO₂ stipulates the growth of the conductivity of heterophase glasses. It is shown that in a heterogeneous system there are two types of acetate ions differing in their relaxation time.

We used infrared spectrometry to study the composition of SiO_x films obtained by the method of ion-beam sputtering (IBS) of silicon and quartz targets. Films of 150-390 nm were formed on silicon substrates. It was found that an increase in the partial pressure of oxygen in the working gas, an increase in the temperature of the substrate, and the presence of a positive potential on the target during the reactive IBS of silicon led to a shift in the main absorption band of ν_as to the high-frequency region and an increase in the composite index from 1.41 to 1.85. During the IBS of a quartz target the stoichiometry of the films deteriorates with the increase of the energy of the sputtering argon ions. It can be due to increasing the deposition rate. An increase in the current of the thermionic compensator, an increase in the substrate temperature, and the addition of oxygen contributed to the formation of SiO_x films with improved stoichiometry.

We studied the Raman and photoluminescence spectra of nanostructured ZnO films with adsorbed C60 molecules. The possibility of forming the intensive electronic coupling C60-ZnO in this composite is investigated. It is shown that such an electron coupling can be significantly enhanced by irradiating the composite with high intensity UV laser radiation (λ = 325 nm).

A mixture of xenon with a non-toxic halogen carrier Xe-KBr was used to create a plasma radiation source at the 282 nm transition of the XeBr^* molecule excited by a high-voltage pulsed-periodic discharge. The luminescence spectra of the plasma of a longitudinal pulsed-periodic discharge in the Xe-KBr mixture at low pressures are experimentally studied. The most intensive UV bands of exciplex XeBr^* molecules are recorded in the spectral range 250-350 nm. The spectral, temporal, and energetic characteristics of the radiation source are presented, as well as the dependence of the XeBr^* exciplex molecule formation efficiency on the discharge excitation conditions. The optimal conditions for the excitation of the UV radiation in the pulsed-periodic discharge plasma are determined.

The characteristic absorption spectra of paraformaldehyde and metaldehyde in the terahertz frequency region are obtained by terahertz time-domain spectroscopy (THz-TDS). In order to reduce the absorption of terahertz (THz) wave by water vapor in the air and the background noise, the measurement system was filled with dry air and the measurement were conducted at the temperature of 24°C. Meanwhile, the humidity was controlled within 10% RH. The THz frequency domain spectra of samples and their references from 0 to 2.5 THz were analyzed via Fourier transform. The refractive index and absorption coefficients of the two aldehydes were calculated by the formulas models. From 0.1 to 2.5 THz, there appear two weak absorption peaks at 1.20 and 1.66 THz in the absorption spectra of paraformaldehyde. Only one distinct absorption peak emerges at 1.83 THz for metaldehyde. There are significant differences between the terahertz absorption coefficients of paraformaldehyde and metaldehyde, which can be used as “fingerprints” to identify these substances. Furthermore, the relationship between the average absorption coefficients and mass concentrations was investigated and the average absorption coefficient-mass concentrations diagram of paraformaldehyde and metaldehyde were shown. For paraformaldehyde, there is a linear relationship between the average absorption coefficient and the natural logarithm of mass concentration. For metaldehyde, there exists a simpler linear relationship between the average absorption coefficient and the mass concentration. Because of the characteristics of THz absorption of paraformaldehyde and metaldehyde, the THz-TDS can be applied to the qualitative and quantitative detection of the two aldehydes to reduce the unpredictable hazards due to these substances.

A new XFA procedure of determining the thickness of layers in two-layer Ti/V-systems is proposed. It is based on the application of easy-to-make unified thin-film layers obtained by the method of sputtering titan on a polymer substrate. Correction coefficients are calculated, which permits to take into account the following factors: the absorption of primary radiation of the X-ray tube, the absorption of the analytical line of the element of the bottom layer in the top layer, and the strengthening of the fluorescence intensity of the top layer by the radiation of atoms of the bottom layer.

Raman spectroscopy, ultraviolet, visible, and near infrared (UV-Vis-NIR) reflectance spectroscopy, and X-ray fluorescence (XRF) spectroscopy were used to characterize black Tahitian cultured pearls and imitations of these saltwater cultured pearls produced by γ-irradiation, and by coloring of cultured pearls with silver nitrate or organic dyes. Raman spectra indicated that aragonite was the major constituent of these four types of pearl. Using Raman spectroscopy at an excitation wavelength of 514 nm, black Tahitian cultured pearls exhibited characteristic 1100-1700 cm^-1 bands. These bands were attributed to various organic components, including conchiolin and other black biological pigments. The peaks shown by saltwater cultured pearls colored with organic dyes varied with the type of dye used. Tahitian cultured and organic-dye-treated saltwater cultured pearls were easily identified by Raman spectroscopy. UV-Vis-NIR reflectance spectra showed bands at 408, 497, and 700 nm derived from porphyrin pigment and other black pigments. The spectra of dye-treated black saltwater pearls showed absorption peaks at 216, 261, 300, and 578 nm. The 261-nm absorption band disappeared from the spectra of γ-irradiated saltwater cultured pearls. This suggests the degradation of conchiolin in the γ-irradiated saltwater cultured pearls. XRF analysis revealed the presence of Ag on the surface of silver nitrate-dyed saltwater cultured pearls.

The composition and physical-chemical properties of the oil deposits formed in the pipeline when transporting oil of the Azerbaijani fields are studied by atomic absorption, chromatography-mass spectrometry, gamma-spectrometry, scanning electron microscopy methods. It is shown that up to 20% of the deposits are paraffins, tars and other heavy fractions of oil, and about 80% of the deposits are asphaltenes and mechanical impurities (compounds of Fe, S, Mn, Ca, Si). The content of the polycyclic aromatic hydrocarbons and radionuclides is within the permissible norm, and the content of some heavy metals exceeds the permissible norm up to 1000 times. These data should be used in the management of oil transportation by pipelines.

To select the optimal wavelengths in the light extinction spectroscopy measurement, genetic algorithm-particle swarm optimization (GAPSO) based on genetic algorithm (GA) and particle swarm optimization (PSO) is adopted. The change of the optimal wavelength positions in different feature size parameters and distribution parameters is evaluated. Moreover, the Monte Carlo method based on random probability is used to identify the number of optimal wavelengths, and good inversion effects of the particle size distribution are obtained. The method proved to have the advantage of resisting noise. In order to verify the feasibility of the algorithm, spectra with bands ranging from 200 to 1000 nm are computed. Based on this, the measured data of standard particles are used to verify the algorithm.

A methodology is proposed to identify genetically modified sugarcane from non-genetically modified sugarcane by using terahertz spectroscopy and chemometrics techniques, including linear discriminant analysis (LDA), support vector machine-discriminant analysis (SVM-DA), and partial least squares-discriminant analysis (PLS-DA). The classification rate of the above mentioned methods is compared, and different types of preprocessing are considered. According to the experimental results, the best option is PLS-DA, with an identification rate of 98%. The results indicated that THz spectroscopy and chemometrics techniques are a powerful tool to identify genetically modified and non-genetically modified sugarcane.

Studying the crowd movement is an important practical task, the solution of which is used in video surveillance systems to prevent emergencies. Generally, a group of people moving at high speed is of more interest than motionless or slow moving people. In this paper, we propose a new method for analyzing the crowd movement based on integral optical flow in a video sequence. We define and calculate several properties of moving crowd including density, motion speed, motion direction and symmetry, in/out index. These properties are useful for further analysis of video scene.

The collimated light beam at the output of a semiconductor laser module has been experimentally studied. The intensity distribution in the cross-section of this beam has no axial symmetry of infinite order and varies with the longitudinal coordinate. The spatial intensity distribution in the light fields formed by means of a conical lens (axicon) from the radiation of the semiconductor laser module and a helium-neon laser has been compared. Criteria are proposed for an objective numerical estimation of the quality of zero order Bessel light beams and trial calculations have been performed to obtain the quality parameters of Bessel light fields formed by the axicon from the radiation of the semiconductor laser module and helium-neon laser.

The recording media for polarization holography based on new azobenzene containing monomers with octylmethacrylte are created, and their electrophysical and information properties are investigated. The possibility of improving the diffraction efficiency of the holograms recorded in these media in the external electric field is demonstrated. The field was formed by charging a free surface of the polymer film in a corona discharge. The effect of improving the diffraction efficiency is larger in the copolymer where azobenzene fragments possess larger dipole moments.

The efficiency of additional information on the optical transmission in solving the inverse problem of ellipsometry by the minimization method is practically shown for tin doped and non-doped In₂O₃ films on Al₂O₃ (012) substrates. This approach is provide uniquely determining the thickness and refractive index of the thin films with a rough surface. The results of solving the inverse problem in the framework of one-, two-, and multilayer models are compared, while the latter provides the best description of the experimental data and correct parameters of the samples. The investigated film properties are found using the above methods and models depending on different magnetron sputtering modes, and these dependencies do not contradict the general idea of the formation of films of this material.

The spin Hamiltonian parameters (SHPs), i.e., g factors and hyperfine structure constants, and local structures are theoretically studied by analyzing tetragonally elongated 3d⁹ clusters for Cu²⁺ in xK₂SO₄ - (50 - x)Na₂SO₄-50ZnSO₄ glasses with various K₂SO₄ concentrations x. The concentration dependences of the SHPs are attributed to the parabolic decreases of the cubic field parameter Dq, orbital reduction factor k, relative tetragonal elongation ratio τ, and core polarization constant κ with x. The [CuO₆]^10- clusters are found to undergo significant elongations of about 17% due to the Jahn-Teller effect. The calculated cubic field splittings and the SHPs at various concentrations agree well with the experimental data.

Fe₃O₄ nanoparticles were first modified with tetraethoxylsilane to form Fe₃O₄/SiO₂ nanoparticles, followed by the addition of 3-aminopropyltriethoxysilane and 3-thiolpropyltriethoxysilane to introduce -NH₂ and -SH groups to the surface of Fe₃O₄/SiO₂ nanoparticles. Gold nanoparticles were further assembled on the surface of Fe₃O₄/SiO₂ via the electrostatic adsorption of -NH₂ and the Au-S bond to produce stable core-shell Fe₃O₄/SiO₂/Au gold/magnetic nanoparticles. These Fe₃O₄/SiO₂/Au gold/magnetic nanoparticles were characterized by a variety of techniques such as transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX), and afterwards conjugated with tetrodotoxin antibodies (Ab) and used as a Raman active substrate (Fe₃O₄/SiO₂/Au-Ab) with Rhodamine B (RhB)-labeled tetrodotoxin antibody as a Raman reporter (Ab-RhB). Upon mixing these reagents with tetrodotoxin (TTX), a sandwich complex [Fe₃O₄/SiO₂/Au-Ab···TTX···Ab-RhB] was generated due to the specific antibody-antigen interactions. The immunocomplex was subsequently separated by an externally applied magnetic source and concentrated into a pellet point, where the laser interrogation of the pellet produced a strong signal characteristic of RhB. The logarithmic intensity of the signal was found to be proportional to the concentration of TTX with a limit of detection of 0.01µg/mL and a detection linearity range of ~0.01-0.5 µg/mL. The established method eliminates the complicated procedures of traditional centrifuging, column separation, and incubation and achieves a rapid detection of tetrodotoxin with improved detection sensitivity.

High-order harmonic generation (HHG) from the He atom driven by the asymmetric inhomogeneous mid-infrared field, produced by a metallic nanostructure, has been investigated. It is found that due to the asymmetric enhancement of the laser intensity in space, not only the harmonic cutoff can be extended, but also the single harmonic emission event with the single short quantum path contribution can be obtained. Further, by properly adding a terahertz (THz) controlling pulse, the harmonic cutoff can be further extended, showing a 1208 eV super-bandwidth with the intensity enhancement of two orders of magnitude. Finally, by properly superposing the harmonics, a series of the isolated 33 as pulses with the photon energies from 123 eV (10 nm) to 1256 eV (1 nm) can be obtained.

Fragments of two perfume bottles belonging to the Hellenistic and Roman periods, and five bracelets belonging to the Roman, Byzantine, and Ottoman periods, excavated in the archaeological site of Enez during the excavations in 2000, have been investigated. The samples were analyzed using micro-Raman, FTIR and energy dispersive X-ray fluorescence techniques, in order to study the ancient technology of glass production and to determine chemical compositions of the basic components and coloring elements of the glassware. All the investigated glasses can be characterized as low-magnesia-soda-lime silicate glasses, whose colors are induced by metal ions. The melting points of the investigated glasses are estimated to be quite close to each other and around 1000^oC.

The effect of boron (B) doping on high-resolution X-ray diffraction (HXRD) metrology has been investigated. Twelve samples of Si_{1- x} Ge_x films were epitaxially grown on Si (100) substrates with different thicknesses, germanium (Ge) concentrations and with/without B dopants. Secondary ion mass spectroscopy (SIMS) and HXRD were employed for measurements of B doping, Ge concentration, strain, and thickness of the layers. The SIMS results show the absence of B in two samples while the rest of the samples have B doping in the range of 8.40´10¹⁸-8.7´10²⁰ atoms/cm³ with Ge concentration of 13.3-55.2 at.%. The HXRD measurements indicate the layers thickness of 7.07-108.13 nm along with Ge concentration of 12.82-49.09 at.%. The difference in the Ge concentration measured by SIMS and HXRD was found to depend on B doping. For the undoped samples, the difference is ~0.5 at.% and increases with B doping but with no linear proportionality. The difference in the Ge concentration was 7.11 at.% for the highly B doped (8.7´10²⁰ atoms/cm³) sample. The B doping influences the Si_1-xGe_x structure, causing a change in the lattice parameter and producing tensile strains shifting Si_1-xGe_x peaks towards Si (100) substrate peaks in the HXRD diffraction patterns. As a result, Vegard’s law is no longer effective and makes a high impact on the HXRD measurement. The comparison between symmetric (004) and asymmetric (+113, +224) reciprocal space mappings (RSM) showed a slight difference in Ge concentration between the undoped and lower B doped samples. However, there is a change of 0.21 at.% observed for the highly doped Si_1-xGe_x samples. RSM’s (+113) demonstrate the small SiGe peak broadening as B doping increases, which indicates a minor crystal distortion.

Laser-induced breakdown spectroscopy has been applied for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens Maxim. f. biserrata Shan et Yuan used in traditional Chinese medicine. Ca II 317.993 nm, Mg I 517.268 nm, and K I 769.896 nm spectral lines have been chosen to set up calibration models for the analysis using the external standard and artificial neural network methods. The linear correlation coefficients of the predicted concentrations versus the standard concentrations of six samples determined by the artificial neural network method are 0.9896, 0.9945, and 0.9911 for Ca, Mg, and K, respectively, which are better than for the external standard method. The artificial neural network method also gives better performance comparing with the external standard method for the average and maximum relative errors, average relative standard deviations, and most maximum relative standard deviations of the predicted concentrations of Ca, Mg, and K in the six samples. Finally, it is proved that the artificial neural network method gives better performance compared to the external standard method for the quantitative analysis of Ca, Mg, and K in the roots of Angelica pubescens.

The aim of this paper is the application of terahertz (THz) spectroscopy combined with chemometrics techniques to distinguish poisonous and non-poisonous herbs which both have a similar appearance. Spectra of one poisonous and two non-poisonous herbs (Gelsemium elegans, Lonicera japonica Thunb and Ficus Hirta Vahl) were obtained in the range 0.2-1.4 THz by using a THz time-domain spectroscopy system. Principal component analysis (PCA) was used for feature extraction. The prediction accuracy of classification is between 97.78 to 100%. The results demonstrate an efficient and applicative method to distinguish poisonous herbs, and it may be implemented by using THz spectroscopy combined with chemometric algorithms.