This review presents data on the use of FT-IR spectroscopy for cancer diagnosis. The objects of study, namely biological fluids, tissues, and model systems for studying experimental neoplasia, as well as the methodological features of working with each system under investigation are described. A detailed description of the spectral features applicable for cancer detection is given, including the use of IR spectroscopy to monitor the treatment process, evaluate the effectiveness of drug therapy, determine the stage of the disease, etc. Statistical methods for processing the data obtained by IR spectroscopy are shown. The main limitations of IR-spectroscopy for the detection of oncological disease and the potential of its introduction into clinical practice are described.

The IR spectra of hydroxo complexes of lanthanides (Ln) with β-ketoesters methyl, ethyl, and allyl acetoacetate having the general formula LnL₂OH·H₂O (Ln = La, Gd, Lu; L - β-ketoesterate anion) were studied in the 400-1700 cm^{- 1} range. In order to interpret the spectra and assign bands caused by vibrations of the β-ketoesterate ligands, a normal coordinate analysis of the model complexes LnL(OH)₂ (Ln = La, Lu) was performed at the approximation of PBE0/ECP46(60)MWB+DZP. The experimental data coupled with theoretical calculations show that the radius of the Ln(III) ion and the structure of the hydrocarbon radical of the alkoxy substituent have a negligible effect on the value of π-electron delocalization in the [OCCCO] conjugated system of the chelate fragments, whereas the decrease of the Ln(III) ionic radius leads to increase of conjugation in the esteric C(O)O group of ligands.

ZnS single crystals were used to investigate the possibility of applying the luminescence spectra decomposition of Mn²⁺ ions into individual components. We employed the normal distribution for analyzing changes of the crystal lattice during plastic deformation. Relative quantitative changes of manganese luminescence centers with different local surroundings during the plastic deformation were obtained. The uniform distribution of Mn²⁺ ions over the sample volume was taken into account. Thus, the changes in the crystal lattice of ZnS single crystals with the addition of Mn²⁺ ions were shown.

A crystal of LiY_0.3Lu_0.7F₄ doped with Pr³⁺ ions was grown by the Bridgman-Stockbarger method and its spectroscopic properties were investigated in detail. The absorption and luminescence spectra of the polarized light were measured, and the lifetime of excited states of³P_J is determined. Transition intensities in the absorption and emission were calculated in accordance with the theory of the f-f-transition intensity taking into account the interconfigurational interaction. Cross sections of stimulated emission were found by Füchtbauer-Ladenburg method. Under InGaN laser diode pumping the continuous wave laser generation at 522.6 nm (³Р₁-³Н₅) was demonstrated for a Pr-doped mixed fluoride crystals. A maximum output power of 0.38 W and a slope efficiency of 19% were achieved.

The influence of nonlinear gain mechanisms such as carrier heating and spatial and spectral hole burning on the real and imaginary parts of the refractive index is described. The dependence of the total amplitude-phase coupling parameter for nonlinear gain on the laser frequency and pump level is obtained. Carrier heating is shown to be the main nonlinear gain mechanism affecting the above-mentioned parameter.

We developed an experimental technique of double stationary visible (l = 532 nm) and pulsed infrared (l = 10.6 mm) laser excitation of the electron-vibrational singlet and triplet states of eosin molecules in polyvinyl alcohol. After infrared excitation, delayed fluorescence (τ_df » 0.15 s) and thermoluminescence (τ_ТL = 4.7 s) of eosin molecules in polymer matrix occur. The rate constants of these processes depend on the temperature and the presence of the water in the polymer. The kinetics of low-temperature processes of thermoluminescence generation and quenching after IR laser pulse is studied. Two characteristic stages of the processes with different activation energies of thermoluminescence are determined: film heating in the 80-270 K temperature range (57.4 J/mole) and ice melting in the polymer matrix within the 270-330 K temperature interval (13.3 kJ/mole).

The effect of laser fluence on the characteristics of carbon nanostructures produced by pulsed laser ablation has been investigated. The beam of a Q-switched Nd:YAG laser of 1064 nm wavelength at 7 ns pulse width and different fluences was employed to irradiate the graphite target in distilled water. The X-ray diffraction pattern, transmission electron microscopy, field emission scanning electron microscopy, Raman spectrum, and linear absorption properties of carbon nanostructures were used to characterize the ablation products. Carbon nanoparticles beside the graphene nanosheets were observed due to variation of laser fluence. The results show that under our experimental condition with increasing laser fluence the amount of carbon nanoparticles in suspensions was increased while the amount of graphene nanosheets was decreased.

ESR spectroscopy allows for detection and quantification of free radicals (FRs) in a sample, which can be associated with the degree of monomer-to-polymer conversion (DC) of dental composites. This research seeks to probe the capacity of a translucent fiberglass post (TFP) to transmit light through its axis and promote polymerization by analyzing the amount of FRs in the sample as a function of the increasing length of a cylindrical TFP. A photopolymerizable dental composite resin was used to ensure that all FRs detected by ESR spectroscopy were generated by light-cure. The results revealed that the introduction of a 4 mm post decreased the DC by approximately 50% compared with irradiation in the absence of the post. In addition, increasing the length of the post dramatically reduced the amount of free radicals detected. This suggests that the TFP may have absorbed a large portion of the radiation, and the DC of resinous materials in the apical part of the root canal may be not sufficient to guarantee the fixation of the post.

Site-selective binding between pioglitazone hydrochloride (PGH) and trypsin (TRP) was investigated by fluorescence spectroscopy, ultraviolet spectroscopy, synchronous fluorescence spectroscopy, and circular dichroism spectroscopy. The results demonstrated that PGH could quench the intrinsic fluorescence of TRP strongly by a static quenching process. The microenvironment of tryptophan (Trp) and tyrosine (Tyr) residue was both changed, and the polarity of the hydrophobic environment in the TRP cavity was enhanced and the hydrophobicity was weakened. The results demonstrated that the interaction between PGH and TRP was taking place via hydrogen bond and hydrophobic force with 1:1 binding ratio. The binding constants K_a, the number of binding sites n, and thermodynamic parameters were obtained. The participation of amino acid residues and synchronous spectroscopy showed that the main site of the reaction between PGH and TRP was at the hydrophobic cavity. The binding rate of PGH to protein in 298 K was ~65-85% and for the combined model was W = -0.08684R² + 0.1048R + 0.8503. This provides the theoretical basis for the dosage of the drug.

It has been explored to what extent the ratio of the two main fluorophores in honey, originating from proteins and phenolic compounds, change between the honey extraction stage and packaging in the jars. Fluorescence spectroscopy combined with multivariate curve resolution alternating least squares (MCR-ALS) was used to determine the ratio of the spectral components originating from phenolics and proteins (Ph/Pr)_fl, as a ratiometric indicator of variability in selected Lime tree (Tilia L.) honey samples. Spectrophotometric quantification of phenols and proteins in the honey samples was also performed and their ratio (Ph/Pr)_sp calculated. The values of the (Ph/Pr)_fl ratio and honey protein content after packaging depended on the quality of homogenization before packing in jars. Colorimetric and fluorometric results for phenols and proteins were in compliance. The examples are the values 3.34, 3.30 and 9, 3.14 for (Ph/Pr)_fl and corresponding values 2.64, 2.18 and 12.75, 2.31 for (Ph/Pr)_sp, in all pairs, the first value presenting the sample after extraction and the second value the sample after packing in jars. Both methods show that in the former case there is no change in the phenol/protein ratio, and in the latter case the ratio decreased.

A method of chemical separation of the components of bone tissue, based on their selective solubility, with the subsequent determination of microelements by atomic absorption spectrometry, is proposed. The total concentrations of Mg, Zn, Fe, Sr, Cu, Mn, and Pb, and the concentrations of these elements in solutions with pH 6.5, 10, and 12 after their interaction with the bone preparation were determined. The obtained concentrations of the “soluble” fractions of trace elements are critically analyzed taking into account the possible reactions of formation and precipitation new insoluble phases in alkaline solutions. Based on the data obtained, the ability of elements to form mobile fractions in the composition of bone tissue can be represented as follows: Mg > Zn ≥ Fe > Sr > Cu; at the same time, noncrystalline Mg is predominantly localized in water or biological liquids of the bone, and noncrystalline Zn - in the alkali-soluble organic component of the bone, Pb and Mn are practically not detected in solutions, i.e., localized in the crystalline phase.

Soil and water samples collected from chromite mine environment were analyzed by proton induced X-ray emission (PIXE) for determination of toxic metal ion concentrations. The soil samples were collected from an active mine quarry, overburden dumps, fallow, and cultivated lands adjacent to the mines. The water samples were collected from the mine quarry, natural stream, and ground water in the mining area. Different elements such as Ti, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pb, and Zr were detected both in soil and water samples. The concentrations of Fe, Cr, and Mn in the samples were relatively high as compared to other elements. The concentrations of Cr in the soil and water samples collected from the chromite mine environment were found in the ranges of 792 to 33705 mg/kg and 4 to 308 μg/L, respectively. The concentration of all elements in the soil samples collected from the active mining sites, as well as from fallow and cultivated lands, exceeded their permissible limits. However, the concentration of Cr in the water samples of the mine quarry treated with ferrous alums, the Damsala Nala river upstream, and ground water outside the mining area was found within the permissible range.

NSb thin films were grown on GaAs substrates by metal organic chemical vapor deposition (MOCVD) and investigated by temperature-dependent spectroscopic ellipsometry (TD-SE). The refractive index, extinction coefficient, and dielectric function of the InSb films were extracted. The variation of critical point energies (E₁, E₁+Δ₁, E₂, E₁') related to the excited state transitions of InSb and the second energy derivatives of the dielectric function at different temperatures showed that the InSb thin film had high electrical and optical stability at the evaluated temperatures. TD-SE analysis revealed a temperature range suitable for the use of InSb/GaAs-based devices. Beyond 250^oC, InSb was heavily oxidized to form a thin In-O layer, causing a pronounced change in the optical constants. The results indicated that optimized InSb thin films grown on GaAs by MOCVD possess good optical and structural properties.

An IR spectroscopy-based method was devised for estimating the degree of substitution of hydroxyl groups with nitrate groups into the positions 2, 3 and 6 of the glucopyranose ring individually in cyclodextrin partial nitrates. Gauge dependencies as well as the values of molar extinction coefficient were obtained for groups in each position. Primary sources of errors affecting the accuracy of determining the localization of functional groups in β-cyclodextrin were analyzed. Relative error of the evaluation of the number of nitrate groups in positions 2 and 3 of cyclodextrin glucopyranose ring is 10 % and 20 % for position 6.

Performed the analysis of the calculation methods of mean molecular mass MM determination using density values. Experimentally determined the dependence of density r from proton spin-lattice Т_1H and spin-spin Т_2Н relaxation times of oil. Using obtained correlations calculated dependences of MM from relaxation times Т_1,2Н. Examination by compare experimental and theoretical dependences ММ(Т_2Н) showed, that relaxation times allows expressly determine ММ.

A spectral-kinetic recorder operating in a special time-gating mode has been developed for time-shifted measurement of time-resolved spectra and the kinetics of the spectral line emission in atomic emission analysis. The luminescence kinetics of copper, zinc, tin, and lead spectral lines were recorded in the case of two-pulse laser ablation of samples of pure metals and multicomponent alloys. It was determined that the luminescence kinetics of spectral lines can be approximated by exponential dependences with high accuracy for pure metals, while for multicomponent samples, the exponential decay of the analytical signal occured only at interpulse laser intervals <3 μs.

Based on the systematized collection of the Raman spectra of about 40 monounsaturated olefins, spectral regularities and invariant relations were established that formed the basis of the method for determining total olefins (total unsaturation per 100 carbon atoms) and their main classes in solutions of saturated hydrocarbons. Self-adjusting of the model by calculating the proportion of spectrally unresolvable C=C components with the use of the intensity of conjugated methyl groups increased its accuracy. In terms of repeatability, speed and cost-effectiveness of the analysis, the Raman-method is superior to standard methods of gas and adsorption chromatography and other modern spectral-correlation methods. The accuracy and stability of the results repeatability is confirmed by more than annual series of parallel comparisons with the data of known method. It is shown that five types of olefins in paraffin model solutions are sufficient to construct calibration curves in units of the number of C=C-bonds per 100 carbon atoms. These units allow recalculating data to the iodine scale and unifying the calibration model for different fractions regardless of the length of the hydrocarbon chains. The Raman technique can be extended to analyze other mixtures of non-aromatic hydrocarbons and be used for remote control of processes via fiber optic cables in industrial production.

The Langevin equation describing the motion of a transparent spherical nanoparticle under the influence of the resulting force of light pressure in a field of a continuous focused Gaussian laser beam is solved by numerical methods with zero initial conditions. The focal length of the lens, which is necessary for the localization of a spherical nanoparticle near the point of the beam focal waist, has been determined. The coordinates where the components of the radiation forces take extreme values are determined, and their dependence on the lens focal length is analyzed.

The low-resolution frequency spectra of the molecule of deuterium-substituted isopropyl alcohol (CD₃)₂CDOH in the range of 0-1200 GHz were calculated using additive modeling of low-resolution molecular spectra by high-resolution microwave ones. The most probable frequency range of the absorption spectra maxima was determined.

A new method for solving the problem of separation of vibrational and rotational motions in a molecule is proposed and a formula for rotational energy levels is derived. The general form of kinetic energy operator for arbitrary generalized coordinates is used. It is shown that the motions are separated exactly for a triatomic nonlinear molecule. The problem of a polyatomic molecule is reduced to the triatomic one.

The luminescent properties of complex compounds of europium(III), gadolinium(III), and terbium(III) with dodecyl-, 4-octadecyloxybenzoic acids have been studied. According to the phosphorescence spectra of the gadolinium(III) complexes measured at 77 K, the energies of the excited triplet states of the anions of the used acids (T₁) were determined. Based on the luminescence mechanism, it was established that intramolecular energy transfer from the organic ligand to the lanthanide ion is effective for the europium(III) complexes. To increase the luminescence intensity of the terbium(III) complex compounds, compounds of the composition LnL₃Phen were obtained, where Phen is 1,10-phenanthroline. Using experimental spectra, an increase in the integrated luminescence intensity of the Tb³⁺ ion compared to TbL₃ was shown.

The photoluminescence properties of cerium dioxide nanoparticles ablated by pulsed laser radiation have been studied. It is shown that annealing of nanoparticles in the range of 400-1000°C changes the luminescence spectrum. The obtained data allow judging the formation of defects in oxygen vacancies in the surface layers of the ablated nanoparticles. The activation energy of photoluminescence of the nanoparticles has been determined. A qualitative explanation of the revealed regularities is presented.

The features of plasmon-polaritons excited by both TE and TM polarized waves on the boundary of a dielectric and a magnetoelectric hyperbolic metamaterial (МHM) have been investigated for the case when the optical axis is perpendicular to the boundary. The possibility is shown and conditions are determined for localization of the generated plasmon-polaritons. The dependence of the decay constant of the surface plasmon-polariton in the dielectric and MHM on the dielectric properties of bordered media is found.

Energy levels, wavelengths, transition probabilities, and line strengths are calculated for the allowed electric dipole 4s²4p²-4s4p³ and 4s²4p²-4s²4p4d transitions of Ge-like ions with Z = 53, 55 and 57, I XXII, Cs XXIV, and La XXVI. By employing active-space techniques to expand the configuration list, we also include the Breit interaction and quantum electrodynamical (QED) effects to correct the atomic state wave functions and the corresponding energies. Both valence correlation and core polarization effects are included. The results are compared with the available experimental and other theoretical results.

Coal-rock interface recognition is one of the key unaddressed problems in unmanned mining, so a novel method for it is proposed. Firstly, electron spin resonance (ESR) is used to directly measure 10 kinds of coals/rocks common in China. Secondly, the free radical characteristics of different particle coals/rocks such as the Lande factor g, line width ΔH, and the concentration of the free radical Ng in the X-band ESR are studied. Lastly, the statistical classifier method of support-vector machine is employed to build a classification model with the input of the parameters of the ESR absorption spectra. Based on the ESR-SVM model, the recognition rate of coals/rocks reaches 100%, the recognition rate of different coals reaches 100%, and the recognition rate of different bituminous coals reaches 88.3%. The experimental results demonstrate that the proposed method is fast, stable, and accurate for the detection of the coal-rock interface and can be a promising tool for the classification of different coals.

Laser-induced breakdown spectroscopy (LIBS) combined with laser-induced fluorescence (LIF) is applied to realize sensitive analysis of trace copper in water for the first time. A wood slice substrate is selected as water absorber to convert liquid sample analysis to solid sample analysis to eliminate drawbacks of the water matrix in direct analysis of liquid samples by the LIBS or LIBS-LIF technique. Copper atoms in the laser-induced plasma are resonantly excited at 324.75 nm from the ground state to a higher state with a tunable dye laser. The fluorescence of copper atoms from this higher state to a lower state at 510.55 nm is selectively monitored with high detection sensitivity. A calibration curve of copper in water analyzed with the LIBS-LIF technique has been built and the limit of detection reaches 3.6 ppb, which is 4-5 orders better than that obtained in direct analysis of aqueous solutions by the LIBS technique. The combination of this simple sample pretreatment method with the LIBS-LIF technique demonstrates rapid, sensitive, and reliable analysis of trace copper in water.

A detailed characterization of painting materials by Raman and time gated laser induced fluorescence (TG-LIF) spectroscopy is proposed. The complementary capabilities of the considered techniques are investigated on a set of laboratory samples realized simulating real artworks. The achieved results confirmed the capability of Raman spectroscopy to characterize pigments and dyes, while the identification of binders and protective materials proved to be difficult because of their intense fluorescence. For this reason, the analyzed samples were also classified by TG-LIF spectroscopy in terms of their characteristic emission wavelengths and decay times. The complementary capabilities of Raman and TG-LIF are confirmed, and a correlation between their results is assessed in order to obtain a complete characterization of the analyzed samples.

Detection of explosives, especially on-site rapid detection of trace amount of explosives, is of great concern for homeland security and environmental issues. Surface-enhanced Raman Scattering (SERS) spectroscopy is demonstrated to enable high sensitivity to detect trace explosives levels. Herein we have assembled silver nanoparticles (AgNPs) on normal glass slides (GS) to form a novel SERS substrate. It is noteworthy that this substrate realizes the regulation of hot spots and its uniform distribution. By using this substrate, cyclotetramethylenetetranitramine (HMX) has been successfully measured to as low as 3×10^-8M. Moreover this SERS substrate can also be employed in the detection of other explosives, such as cyclotrimethylenetrinitramine (RDX) and trinitrotoluene (TNT). The advantages including low cost, ultrahigh sensitivity, and facile manipulation of the sample preparation make the SERS spectroscopy a rapid and powerful on-site instrument in trace detection of explosives.