This PDF file contains the front matter associated with SPIE Proceedings Volume 10716, including the Title Page, Copyright information, Table of Contents, and Conference Committee listing.

Photodynamic therapy is well-established and extensively used method in treatment of different cancer types. This research reveals its potential in the treatment of cultivated human glioblastoma cells with adherent morphology. As the blood-brain barrier (BBB) permeability of the drugs is a significant problem that could not be solved easily for large biomolecules, we search for an appropriate low-molecular weight photosensitizer that could be applied for photodynamic treatment of glioblastoma cells. We used delta-aminolevulinic acid (5-ALA), which could pass BBB and plays the role of precursor of a protoporphyrin IX (PpIX) – photosensitizer, that is accumulated selectively in the tumour cells and could be a proper tool in PDT of glioblastoma. However, differences from patient to patient and between the cell activities could also lead to different effectiveness of the PDT treatment of the tumour areas. Therefore in our study we investigated not only the effect of using different fluence rates and light doses, but aims to establish more efficient values for further clinical applications for each sub-type of the GBM lesions. For the needs of PDT application an illumination device was developed in Laboratory of Biophotonics, BAS based on light-emitting diode (LED) matrix light sources for therapeutic application emitting at 635 nm. The device is optimized for PDT in combination with aminolevulinic acid/protoporphyrin IX applied as a photosensitizer drug. By the means of FACSCalibur flow cytometer (Becton Dickinson, USA) and Cell Quest Software was made evaluation of PDT effect on used human glioblastoma cells. Treatment of glioblastoma tumours continues to be a very serious issue and there is growing need in development of new concepts, methods and cancer-fighting strategies. PDT may contribute in accomplishing better results in cancer treatment and can be applied as well in combination with other techniques.

In this paper investigation of the enhanced fiber-optic low coherence Fabry-Pérot interferometer with zinc oxide (ZnO) film deposited by atomic layer deposition (ALD) was presented. Model of the interferometer, which was constructed of single-mode optical fiber with applied ZnO ALD films, was built. The interferometer was also examined by means of experiment. Measurements were performed for both reflective and transmission modes, using wavelengths of 1300 nm and 1500 nm. The measurements with the air cavity showed the best performance in terms of a visibility of the interference signal can be achieved for small cavity lengths (~ 50μm) in both configurations. Combined with the enhancement of reflectance of the interferometer mirrors due to the ALD film, proposed construction could be successfully applied in refractive index (RI) sensor that can operate with improved visibility of the signal even in 1.3-1.5 RI range as well as with small volume samples, as shown by the modeling.

We have developed a numerical model describing the optical and thermal behavior of optical tissue phantoms upon laser irradiation. According to our previous studies, the phantoms can be used as substitute of real skin from the optical, as well as thermal point of view. However, the thermal parameters are not entirely similar to those of real tissues thus there is a need to develop mathematical model, describing the thermal and optical response of such materials. This will facilitate the correction factors, which would be invaluable in translation between measurements on skin phantom to real tissues, and gave a good representation of a real case application.

Here, we present the model dependent on the data of our optical phantoms fabricated and measured in our previous preliminary study. The ambiguity between the modeling and the thermal measurements depend on lack of accurate knowledge of material's thermal properties and some exact parameters of the laser beam. Those parameters were varied in the simulation, to provide an overview of possible parameters' ranges and the magnitude of thermal response.

In this paper, we demonstrate instruments for laser radiation delivery based on sapphire capillary needles. Such sapphire irradiators (introducers) can be used for various medical applications, such as photodynamic therapy, laser hyperthermia, laser interstitial thermal therapy, and ablation of tumors of various organs. Unique properties of sapphire allow for effective redistribution of the heat, generated in biological tissues during their exposure to laser radiation. This leads to homogeneous distribution of the laser irradiation around the needle, and lower possibility of formation of the overheating focuses, as well as the following non-transparent thrombi.

We have developed a method of terahertz (THz) solid immersion microscopy for imaging of biological objects and tissues. It relies on the solid immersion lens (SIL) employing the THz beam focusing into the evanescent-field volume and allowing strong reduction in the dimensions of the THz beam caustic. By solving the problems of the sample handling at the focal plane and raster scanning of its surface with the focused THz beam, the THz SIL microscopy has been adapted for imaging of soft tissues. We have assembled an experimental setup based on a backward-wave oscillator, as a continuous-wave source operating at the wavelength of λ = 500 μm, and a Golay cell, as a detector of the THz wave intensity. By imaging of the razor blade, we have demonstrated advanced 0.2λ-resolution of the proposed THz SIL configuration. Using the experimental setup, we have performed THz imaging of a mint leaf revealing its sub-wavelength features. The observed results highlight a potential of the THz SIL microscopy in biomedical applications of THz science and technology.

The objective of this study is the application of optical methods for detection of immunological agent concentration. As the agent we used the Cyclaid, produced by Apotex Inc. In this article we investigated different Cyclaid concentrations in water. We used a Fabry-Pérot interferometer working in a reflective mode, the measurements were performed with source with central wavelength λ = 1550 nm. The preliminary investigation have shown that the Fabry-Pérot interferometer can be used to study the Cyclaid concentration.

Skin cancer is one of the fastest growing type of cancer. It represents the most commonly diagnosed malignancy, surpassing lung, breast, colorectal and prostate cancer. So, diagnostics for different types of skin cancer on early stages is a very high challenge for medicine industry.

New optical imaging techniques have been developed in order to improve diagnostics precision. Optical coherence tomography (OCT) is based on low-coherence interferometry to detect the intensity of backscattered infrared light from biological tissues by measuring the optical path length. OCT provides the advantage of real-time, in vivo, low-cost imaging of suspicious lesions without having to proceed directly to a tissue biopsy.

The post-processing techniques can be used for improving the precision of diagnostics and providing solutions to overcome limitations for OCT. Image processing can include noise filtration and evaluation of textural, geometric, morphological, spectral, statistic and other features. The main idea of this investigation is using information received from multiple analyze on 2D- and 3D-OCT images for skin tumors differentiating.

At first, we tested the computer algorithm on OCT data hypercubes and separated B- and C-scans. Combination of 2D and 3D data give us an opportunity to receive common information about tumor (geometric and morphological characteristics) and use more powerful algorithms for features evaluation (fractal and textural) on these separated scans. These groups of features provide closer connection to classical wide-used ABCDE criteria (Asymmetry, Border irregularity, Color, Diameter, Evolution). We used a set of features consisting of fractal dimension, Haralick's, Gabor's, Tamura's, Markov random fields, geometric features and many others.

We could note about good results on the test sets in differentiation between BCC and Nevus, MM and Healthy Skin. We received dividing MM from Healthy Skin with sensitivity more 90% and specificity more 92% (168 B-scans from 8 species) by using three Haralick’s features like Contrast, Correlation and Energy. The results are very promising to be tested for new cases and new bigger sets of OCT images.

High-quality OCT structural images reconstruction algorithm for endoscopic optical coherence tomography of biological tissue is described. The key features of the presented algorithm are: (1) raster scanning and averaging of adjacent Ascans and pixels; (2) speckle level minimization. The described algorithm can be used in the gastroenterology, urology, gynecology, otorhinolaryngology for mucous membranes and skin diagnostics in vivo and in situ.

The method of Doppler color mapping of one specific (previously chosen) velocity in a turbulent flow inside biological tissues using optical coherence tomography is described. The key features of the presented method are: the raw data are separated into three parts, corresponding to the unmoving biological tissue, the positively and negatively directed biological fluid flows; the further independent signal processing procedure yields the structure image and two images of the chosen velocity, which are then normalised, encoded and joined. The described method can be used to obtain in real time the anatomical maps of the chosen velocities in normal and pathological states. The described method can be applied not only in optical coherence tomography, but also in endoscopic and Doppler ultrasonic medical imaging systems.

Optical structure disturbances localization algorithm for time-resolved diffuse optical tomography of biological objects is described. The key features of the presented algorithm are: the initial approximation for the spatial distribution of the optical characteristics based on the Homogeneity Index and the assumption that all the absorbing and scattering inhomogeneities in an investigated object are spherical and have the same absorption and scattering coefficients. The described algorithm can be used in the brain structures diagnosis, in traumatology and optical mammography.

An early identified cancer is more likely to effective respond to treatment and has a less expensive treatment as well. Dermatoscopy is one of general diagnostic techniques for skin cancer early detection that allows us in vivo evaluation of colors and microstructures on skin lesions. Digital phantoms with known properties are required during new instrument developing to compare sample’s features with data from the instrument. An algorithm for image modeling of skin cancer is proposed in the paper. Steps of the algorithm include setting shape, texture generation, adding texture and normal skin background setting. The Gaussian represents the shape, and then the texture generation based on a fractal noise algorithm is responsible for spatial chromophores distributions, while the colormap applied to the values corresponds to spectral properties. Finally, a normal skin image simulated by mixed Monte Carlo method using a special online tool is added as a background. Varying of Asymmetry, Borders, Colors and Diameter settings is shown to be fully matched to the ABCD clinical recognition algorithm. The asymmetry is specified by setting different standard deviation values of Gaussian in different parts of image. The noise amplitude is increased to set the irregular borders score. Standard deviation is changed to determine size of the lesion. Colors are set by colormap changing. The algorithm for simulating different structural elements is required to match with others recognition algorithms.

In this study we measured spectral features of blood by Raman spectroscopy. Correlation of the obtained spectral data and biochemical studies results is investigated. Analysis of specific spectra allows for identification of informative spectral bands proportional to components whose content is associated with body fluids homeostasis changes at various pathological conditions. Regression analysis of the obtained spectral data allows for discriminating the lung cancer from other tumors with a posteriori probability of 88.3%. The potentiality of applying surface-enhanced Raman spectroscopy with utilized experimental setup for further studies of the body fluids component composition was estimated. The greatest signal amplification was achieved for the gold substrate with a surface roughness of ~ 1 μm. In general, the developed approach of body fluids analysis provides the basis of a useful and minimally invasive method of pathologies screening.

In this work the analysis of the shape and intensity of albumin Raman signals in visible and near-IR ranges was carried out. The experimental setup using lasers from the visible region first of all excites the fluorescence of the albumin solution, the main contribution to which is produced by sodium chloride, which is a component of the tested sample. At the same time, lasers from the near-infrared range excited the Raman signal of albumin most effectively. It was found that the highest ratio of Raman scattering to autofluorescence intensities in the detected signal was obtained using a laser with a wavelength of 1064 nm. To determine the albumin solution concentration by type of spectrum, a regression approach with the projection to latent structures method was applied. The lowest predicted error of albumin concentration of 2-3 g/l was obtained by using the near-infrared range lasers.

Structural changes in blood lymphocytes during the development of alloxan induced diabetes in rats were revealed. The changes were characterized by decreased volume, surface area, flatness coefficient of cells in comparison with normal lymphocytes. A consistent increase in the Young's modulus of rat lymphocytes during the development of diabetes in comparison with the Young's modulus of normal lymphocytes has been established, which indicates a decrease of the elastic-viscous properties of the cell membrane, changes in the molecular structure of its and in the organization of the lymphocyte cytoskeleton. It was found that during the development of induced diabetes the roughness and adhesiveness of the cytoplasmic membrane of blood lymphocytes decrease.

The results of the study of morphological and biophysical parameters of cell membranes of fixed lymphocytes from cattle with and without retroviral infection using atomic force microscopy have been presented. It is found that lymphocytes morphometric characteristics, such as diameter, height, volume, in case of BLV and BIV-BLV infection decrease by 18.5 and 22.7%, 9.0 and 25.0%, 4.4 and 35.3%, respectively, in comparison with the intact ones. It is maybe a sign of the cells immaturity or the degenerative processes development. However, the lymphocytes’ morphometric characteristics in case of BIV infection increase by 45.8%, 12.7% and 35.8%, respectively, compared with the intact lymphocytes. It may be caused by the active replicative processes in BIV-infected cells. It is found that the adhesive properties and the roughness of cell surface of the lymphocytes from cattle with BLV, BIV, BIV-BLV infection increase in 2.3, 3.4, 3.0 times and by 37.3%, 19.2%, 14.8%, respectively, in comparison with the control cows’ lymphocytes. A decrease in the Young's modulus of lymphocytes from cattle with BIV, BLV and BIV-BLV infection of 35.8%, 33.8% and 33.1%, respectively, compared to the control has been shown. It may indicate not only an increase in the cytolemma stiffness, but also an increase in the cell turgor as a result of volume index raising.

A method for measuring of blood velocity in the native vasculature of a chick embryo by the method of micro anemometry from particle images (μPIV) is improved. A method for interrogation regions sorting by the mask of the vasculature is proposed. A method for sorting of the velocity field of capillary blood flow is implemented. The in vitro method was evaluated for accuracy in a glass phantom of a blood vessel with a diameter of 50 μm and in vivo on the bloodstream of a chicken embryo, by comparing the transverse profile of the blood velocity obtained by the PIV method with the theoretical Poiseuille laminar flow profile.

We developed novel schematics of a Laser Doppler anemometer where measuring volume is comparable with the red blood cell (RBC) size and a small period of interference fringes improves device resolution. The technique was used to estimate Doppler frequency shift at flow velocity measurements. It has been shown that technique is applicable for measurements in whole blood.

At present, saliva and its properties are being actively studied. Human saliva is a unique biological material that has potential in clinical practice. A detailed analysis of the characteristics and properties of saliva is relevant for diagnostic purposes. In this paper, the properties and characteristics of saliva are studied using optoelectronic methods: dynamic light scattering, electrophoretic light scattering and optical microscopy. Mixed saliva from a healthy patient and patient with diabetes mellitus type 2 was used as an object of the study. The dynamics of the behavior of a healthy and patient with diabetes mellitus type 2 is visible according to the results obtained. All three methods confirm hypothesis of structural changes in mixed saliva in the disease of diabetes mellitus type 2.

Methods of t-LASCA and s-LASCA imaging have been firstly adapted to the problem of monitoring of blood microcirculation in chicken embryo model. Set-up for LASCA imaging of chicken embryo is mounted. Disorders of blood microcirculation in embryonated chicken egg, infected by Chlamydia trachomatis, are detected. Speckle-imaging technique is compared with white-light ovoscopy and new method of laser ovoscopy, based on the scattering of coherent light, advantages of LASCA imaging for the early detection of developmental process of chlamydial agent is demonstrated.

Principles of two-cascaded laser speckle-microscopy prospect for application to express diagnostics of chlamydial infection are developed. Prototype of two-cascaded speckle-microscope is designed and tested. Specific case of illumination of bacterial cells by dynamic speckles is considered. Express method of detection of epithelial cells, containing defects, which are caused by Chlamydia trachomatis bacteria, is suggested. Results of improved recognition of C. trachomatis bacteria are discussed.

Method of phase-shifting speckle-interferometry has been used as a new tool with high potency for modern bioinformatics. Virtual phase-shifting speckle-interferometry has been applied for detection of polymorphism in the of Chlamydia trachomatis omp1 gene. It has been shown, that suggested method is very sensitive to natural genetic mutations as single nucleotide polymorphism (SNP). Effectiveness of proposed method has been compared with effectiveness of the newest bioinformatic tools, based on nucleotide sequence alignment.

Method of speckle-microscopy has been adapted to the problem of detection of Chlamydia trachomatis microbial cells in clinical samples. Prototype of laser scanning speckle-microscope has been designed. Spatial resolution and output characteristics of this microscope have been analyzed for the case of scanning of C. trachomatis bacteria inclusions – Elementary Bodies (EBs) inside the human cells, fixed on the glass. It has been demonstrated, that presence of C. trachomatis microbial cells in the sample can be easily detected using speckle microscopy.

Theory of diffusing wave spectroscopy has been firstly adapted to the problem of rapid detection of Chlamydia trachomatis bacteria in blood samples of Chlamydia patients. Formula for correlation function of temporal fluctuations of speckle intensity is derived for the case of small number of scattering events. Dependence of bandwidth of spectrum on average number of scatterers is analyzed. Set-up for detection of the presence of C. trachomatis cells in aqueous suspension is designed. Good agreement between theoretical results and experimental data is shown. Possibility of detection of the presence of C. trachomatis cells in probing volume using diffusing wave spectroscopy with a small number of scatterers is successfully demonstrated for the first time.

Theory of formation of speckled speckles at diffraction of focused Gaussian beam in the suspension, containing of Chlamydia trachomatis (CT) is presented. Optical model of scattering of light in suspension of Chlamydia is suggested. Formula for bandwidth of spectrum of intensity fluctuations in speckled speckles is derived. It has been demonstrated, that speckle-microscopy can be used for detection of CT bacteria for any concentration of the relevant cells in suspension.

New method of coding of genetic information using coherent optical fields is developed. Universal technique of transformation of nucleotide sequences of bacterial gene into laser speckle pattern is suggested. Reference speckle patterns of the nucleotide sequences of omp1 gene of typical wild strains of Chlamydia trachomatis of genovars D, E, F, G, J and K and Chlamydia psittaci serovar I as well are generated. Algorithm of coding of gene information into speckle pattern is optimized. Fully developed speckles with Gaussian statistics for gene-based speckles have been used as criterion of optimization.

The essence of the phenomenon of ischemic preconditioning is increasing myocardium resistance to long periods of ischemia that occurs after several short ischemia-reperfusion periods. The aim of this pilot study was to determine the temperature and vascular response in double brachial occlusions and to assess the prospects of using this maneuver for remote ischemic preconditioning. Infrared thermography-based measurements were used to assess hemodynamics both left and right hands during the baseline, ischemia and hyperemia periods. Double ischemia with a period of 2 min was implemented by a cuff compression of the brachial artery of the right hand. A study group was constituted of eight men and six women without cardiovascular abnormalities at the age of 22 to 35 years. As a result, we have determined that a temperature and vascular response to ischemia of right hand is accompanied by the vascular reaction of the contralateral left hand, especially after the inflation and deflation of the cuff. These vascular reactions are reproducible, systemic and appear to be at least neurological in nature. An experimental confirmation of the systemic vascular «training effect» after multiple brachial ischemia-reperfusion periods is a subject of further investigations.

We have performed the in vitro terahertz (THz) spectroscopy of human brain tumors. In order to fix tissues for the THz measurements, we have applied the gelatin embedding. It allows for preserving tissues from hydration/dehydration and sustaining their THz response similar to that of the freshly-excised tissues for a long time after resection. We have assembled an experimental setup for the reflection-mode measurements of human brain tissues based on the THz pulsed spectrometer. We have used this setup to study in vitro the refractive index and the amplitude absorption coefficient of 2 samples of malignant glioma (grade IV), 1 sample of meningioma (grade I), and samples of intact tissues. We have observed significant differences between the THz responses of normal and pathological tissues of the brain. The results of this paper highlight the potential of the THz technology in the intraoperative neurodiagnosis of tumors relying on the endogenous labels of tumorous tissues.

These days, the biological effects of electromagnetic (EM) radiations on the brain, especially in the frequency range of mobile communications, have caught the attention of many scientists. Therefore, in this paper, the propagation of mobile phone electromagnetic waves in the brain tissues is investigated analytically and numerically. The brain is modeled by three layers consisting of skull, grey and white matter. First, we have analytically calculated the microwave reflection, transmission, and absorption coefficients using signal flow graph technique. The effect of microwave frequency and variations in the thickness of layers on the propagation of microwave through brain are studied. Then, the penetration of microwave in the layers is numerically investigated by Monte Carlo method. It is shown that the analytical results are in good agreement with those obtained by Monte Carlo method. Our results indicate the absorbed microwave energy depends on microwave frequency and thickness of brain layers, and the absorption coefficient is optimized at a number of frequencies. These findings can be used for comparing the microwave absorbed energy in a child's and adult's brain.

This study focuses on the effect of the flavonoid-containing Gratiola officinalis L. extract with antitumor activity on the intensity of peroxidation and the content of vitamin E in the blood serum of animals with transplanted liver cancer PC-1. Intramuscular and oral administrations of the Gratiola officinalis extract in a dose of 110 mg/kg reduce MDA concentration (more than 20 times) and lipid hydroperoxide (more than 1.5 times) in rats with transplanted tumors. This effect leads to decrease in intensity of lipid peroxidation processes in animals. The Gratiola officinalis extract administration increases the vitamin E concentration (more than 1.3 times) in the serum of rats. This result enables to suggest that the extract of Gratiola officinalis contains the tocopherols. Thus, the study of mechanisms of the Gratiola officinalis extract influence on the activity of peroxidation processes and on the activation of the antioxidant system is promising.

The influence of low-intensity electromagnetic radiation on the process of self-assembly, spectral-fluorescent characteristics and lethal effect of bacterial lipopolysaccharide (endotoxin) was performed. A solution of bacterial lipopolysaccharide exposed to electromagnetic waves with a frequency of 1 GHz, the power density of 0.1 μW/cm² for 10 min. In experiments on a large group of control and irradiated mice, a comparative analysis of the estimated lethal dose of endotoxin was performed. It was proved that UHF radiation of certain parameters reduces the lethal effects of bacterial lipopolysaccharide on 26%.

The results of strobe-photographic study of steam-gas cavities formation in a bulk of saline as a result of high-power Yb,Er:Glass laser pulses impact are presented. The data on dynamics of laser pulse transmission through the laserproduced steam-gas cavity for different values of the distance h between the fiber end and the cuvette bottom (quartz plate) are presented. It was observed that the steam-gas cavity might be used for effective non-contact delivery of laser radiation to the submerged target: transmission value at maximum steam-gas cavity size reached 0.87 for h = 0.5 mm. The influence of steam-gas cavities parameters on ablation efficiency of eye lens destruction in vitro is also discussed. The ablation of cataract eye lens in liquid environment is more effective than in air. The efficiency of eye lens ablation decreases with the increase of h . The maximal values of ablation efficiency (2.14·10^-3 mm³/pulse) were obtained in the case of underwater ablation at h = 0 mm.

Laser microperforation of a human nail plate is an effective method to increase the speed of local drugs delivery in the treatment of nail diseases. In this paper we present the study results of the influence of spatial parameters of Er:YLFlaser- produced microhole array in human nail plate (the diameter of microholes and their packing density) on the rate (v_sp) of 0.25 % water-alcohol solution of methylene blue penetration through a single microhole and on the time (T_mp) required for uniform distribution of this drug under the nail plate. In experiments, the diameter of microholes was 220 ± 10 μm, 300 ± 10 μm or 350 ± 10 μm. The packing density for microholes of each of these diameters was 100 μholes/cm², 400 μholes/cm² and 950 μholes/cm². It is shown that v_sp is mainly determined by the microhole diameter, and the packing density does not have a significant influence on it. It was experimentally established that the rate v_sp is maximal for microholes with 350 μm diameter at packing density of 950 μholes/cm² and reaches a value of 6.3 μm/s, and the time T_mp is minimal and equal to 180 ± 10 s at the same values of microhole diameter and packing density.

Optical and histological methods were used to examination of influence the power and pulse duration of 980-nm diode laser to the dimensions and morphology of tissue around fractional micro injuries created by the radiation of that laser in the oral mucosa of rats in vivo. The power of laser radiation (P) varied in the range of 1÷21 W, and its pulse duration (t_p) - in the range 50÷500 ms.

Histological examination showed that in the mucosa of the oral cavity after the laser fractional irradiation, there following effects are found: a tissue defect, a transudate in the lumen of ablative micro injury, stretching and compacting effect of the nuclei of the basal epithelium, the disappearance of granules of the keratohialin, destroying the structure of the connective tissue, erythrocyte stasis in the vessels, the disappearance of transverse striation in the muscle fibers in muscle layer.

It has been found that ablative micro injury begins to form up at P = 5 W, t_p = 100 ms and affects only the epithelial layer of the mucosa. At P = 7 W, t_p = 120 ms, the ratio of width to depth of ablative micro injury is 1 : 1, and at P = 10 W, t_p = 100 ms, an ablative micro column with ratio of 1 : 1.5 is formed in the epithelial and submucosal layers of the mucosa. The laser effect with P = 15 W, t_p = 200 ms leads to lengthening of the ablation micro-column to 1 : 2, with the bottom of the ablative micro column reaching the muscular layer. With a further growth of laser power or pulse duration, the width of the micro injury increases, and the growth of the micro injury depth is slowed down so that the micro column buildup is ceased.

The paper presents the investigation of change of tumor optical properties of the rat tumor doped by gold nanoparticles after laser-induced plasmon-resonant photothermal treatment. To obtain the model tumors the rats have been implanted by suspension of alveolar kidney cancer cells. An hour before the experiment the animals have been injected by the suspension of gold nanorods intratumorally. For irradiation a diode laser with wavelength 808 nm has been used. After the irradiation the tumor has been removed and sliced. Spectra of total and collimated transmission and diffuse reflectance of the samples of different layers of the tumors have been measured in the wavelength range 350-2500 nm. Absorption, scattering, reduced scattering coefficients and scattering anisotropy factor of tumor tissues have been calculated with inverse adding-doubling method. The results of the experiment have shown that after doping the tumor tissue by the plasmon resonant nanoparticles and NIR laser irradiating, there is the decreases of absorption as well as scattering properties of the tumor and surrounding tissues. However, despite the sufficiently high temperature on the surface (about 80°C), the changes in the center of the tumor are insignificant.

Connection is not strong enough In case of insufficient or excessive temperature of the laser welding. As a result, the temperature measurement in laser welding is an important problem. Measurement area surface is small (3.12 mm2) and measurements shall be carried out by a Non-contact method, which makes them challenging. Method of temperature measurement by an infrared sensor in two positions has been offered. This method allows you to measure the temperature at a distance of up to 5 cm from the measured area with an accuracy of 8%.

The bleaching of polyacrylamide tattooed skin-mimicking phantoms by a series of laser pulses in a single session is studied. It is shown that compared to the single-pulse procedures tattoo removal by series of laser pulses allows not only for reducing the necessary laser fluence, but also for improving the degree of bleaching. The dynamics of formation and dissolution of microscopic gas bubbles in tattooed skin phantoms exposed to laser radiation is also studied. A laser-induced tattoo bleaching mechanism is suggested, based on the process of selective photo-thermolysis of pigmented particles in conditions where the thermal conductivity of the medium surrounding the particles is decreased because of the microbubbles formed therein.

The influence of red laser irradiation on the growth of colonies of Staphylococcus aureus and photodynamic effect of the photosensitizer Photoditazine were performed. It was established that the emission of red laser light caused an inhibition of bacterial growth. This effect on standard strain of Staphylococcus aureus was evident only when relatively high doses of radiation (180 j/cm²). Photosensitivity of the methicillin-resistant strains was much higher: bacteriostatic effect of red light was observed already at the dose of 60 j/cm² . Pre-treatment of bacterial cells by Photoditazine significantly enhances the inhibitory effect of the laser light.

We report on use of opto-electronic tweezers based sorting approach, termed as smart sweepers, for sorting the microscopic particles by using the Dielectrophoretic (DEP) force response of cells on applied a.c. bias frequency. The applied a.c. bias was kept in negative DEP region, close to the crossover frequency of one of the particles. A line shaped intensity pattern, generated by a cylindrical lens, was scanned across the mixture sample. The particles whose cross over frequency was close to the applied bias frequency, experienced negligible negative DEP(n-DEP) force. On the other hand, the other type of particle experienced large repelling force and were forced to move along the scanning direction of the line shaped intensity profile. We, as a proof of concept, demonstrated the working principle of opto electronic smart sweepers by sweeping out the polystyrene particles from a mixture consisting of polystyrene microspheres (PSM) and red blood cells (RBCs) and leaving RBCs in the region of interest.

In this paper we present results of preliminary research of using nitrogen-doped diamond (NDD) films as reflective layer in Fabry-Pérot interferometer. NDD films were deposited on Si substrates by Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD) with the use of CH₄, H₂ and N₂ gas mixtures. During deposition process methane flow rate varied while nitrogen flow was constant. We performed series of measurements which showed that NDD can be used as a mirror in Fabry-Pérot interferometer. The best signal visibility and repeatability of measurements were obtained for sample made with 3 sccm methane flow rate.

We have developed cryo-applicators based on the sapphire shaped crystals fabricated using the edge-defined film-fed growth (EFG) and noncapillary shaping (NCS) techniques. Due to the unique physical properties of sapphire: i.e. high thermal, mechanical, and chemical strength, impressive thermal conductivity and optical transparency, these cryo-applicators yield combination of the tissue cryo-destruction with its exposure to laser radiation for controlling the thermal regimes of cryosurgery, and with the optical diagnosis of tissue freezing. We have applied the proposed sapphire cryo-applicators for the destruction of tissues in vitro. The observed results highlight the prospectives of the sapphire cryo-applicators in cryosurgery.

In this article the interaction between ionically stabilized magnetic nanoparticles and blood serum albumin proteins in liquid medium are discussed. Some distributions of nanoparticles’ agglomerate sizes in solutions of albumin molecules, magnetic nanoparticles and their mixtures both under the influence of magnetic field and free from it are presented. It is shown that magnetic nanoparticles interact with albumin molecules, forming agglomerates. It is also shown that at the influence of magnetic field sizes of agglomerates increase proportionally to the magnetic field density.

Gold nanoparticles are intensively studied in biomedicine. Assessment of their biocompatibility is highly important. Currently there is lack of evidence, concerning nanotoxicity of ultrasmall gold nanoparticles < 5 nm. Existing data are rather contradictory. The aim of that study was to evaluate the toxicity of 2 nm colloidal gold, using microalga Dunaliella salina. Cellular barriers of that microalga are very similar to animal cells so it might be considered as a valuable model for nanotoxicity testing. Chlorophyll content as a test–function was used. Spectrophotometric method for chlorophyll determination in vivo in suspensions of D.salina cultures was applied. Calculated EC50 48h value of ionic gold was 25.8 ± 0.3 mg Au/L. EC50 value of phosphine-stabilized gold nanoclusters was 32.2 ±1.1 mg Au/L. It was not possible to calculate EC50 for 15 nm citrate gold nanoparticles, as they were non-toxic at all concentrations tested. These results are confirmed by fluorescent –microscopic monitoring of the same probes. It was shown that 10-fold growth of phosphine-stabilized gold nanoparticles (from 2.3 ± 0.9 nm to 21.1 ± 7.5 nm) led to 7-fold decrease of their toxicity.

Colloidal suspensions and tunable self-assembly of colloidal particles attract a great interest in recent years. In this paper, we propose a new setup and technology for studies of self-assembly of colloidal particles, interection of which between themselves is tuned by external rotating electric fields. We reveal wide prospectives of electric field employment for tunable self-assembly, from suspensions of inorganic particles to ensembles of biological cells. These results make enable particle-resolved studies of various collective phenomena and fundamental processes in many-particle systems in equilibrium state and far from it, while the dynamics can be resolved at the level of individual particles using video microscopy. For the first time, we demonstrate that, apart from ability to prepare photonic crystalline films of inorganic silica particles, the tunable self-assembly provides a novel technological way for manipulation with ensembles of biological cells by control of interactions between them.

Using fluorescence spectroscopy system with fibre-optical probe, we investigated the dynamics of propagation and circulation in the microcirculatory system of experimental nanocapsules fluorescent-labelled (rhodamine TRITC) nanocapsules. The studies were carried out in clinically healthy Wistar rats. The model animals were divided into control group and group received injections of the nanocapsules. The fluorescent measurements conducted transcutaneously on the thigh surface. The administration of the preparation with the rhodamine concentration of 5 mg/kg of animal weight resulted in twofold increase of fluorescence intensity by reference to the baseline level. As a result of the study, it was concluded that fluorescence spectroscopy can be used for transdermal measurements of the rhodamine-loaded capsules in vivo.

Study of the penetration depth of synthesized copper nanoparticles into cut samples of human dentin was conducted. The scanning electron microscopy was used to determine the elemental composition of fresh transverse cleavage of the dentin cut for determination of the copper nanoparticles penetration with an effective antiseptic effect. The morphology of the cut surface of the dentin of a human tooth was studied and the lower limit of the diffusion boundary was determined. It was found that copper nanoparticles penetrate into the dentin cut to a depth of ~ 1.8 μm with the diffusion coefficient of 1.8×10^–11 cm²/s. Despite the rather small size of the synthesized copper nanoparticles (20-80 nm), a rather small penetration depth can be explained by the high aggregation ability of copper nanoparticles, as well as the ability of a micellar solution of sodium dodecyl sulfate, in which nanoparticles were stabilized, to form conglomerates in micelles of much larger sizes.

For clinical application in photothermal therapy the nanoparticles should be efficient light-to-heat converters and luminescent markers. In this work, we investigate upconversion nanoparticles with NaY_xGd_1-xF₄ (x=0-1) host lattice as self-monitored thermo-agents for bioimaging and local laser hyperthermia with real-time temperature control.

The ability of non-contact temperature sensing using NaY_xGd_1-xF₄ on one hand and laser induced heating on the other hand was shown. It was found, that the heat conversion luminescence efficiency is strongly affected by the concentration ratio of Gd³⁺ to Y³⁺ ions in host lattice. The optimal composition among the studied is NaY_0.4Gd_0.4Yb_0.17E_r0.03 with luminescence efficiency of 3.5% under 1 W/cm² pumping power. Higher Gd³⁺ concentrations lead to higher heating temperature, but also to the decrease of the luminescence intensity and the accuracy of the ratiometric temperature determination. It was also shown that the optimization of Yb³⁺ doping concentration is one of the possible ways for optimization of the conditions of laser induced photothermal effects.

Experimental in vitro study of hyperthermia with use of upconversion nanoparticles on HeLa and C6 cell lines was performed. The investigated nanoparticles are capable of in vitro photothermal heating, luminescent localization and thermal sensing.

In this work we investigated the use of composite crystalline core/shell nanoparticles LaF3:Nd³⁺(1%)@DyPO4 for fluorescence-based contactless thermometry, as well as laser-induced hyperthermia effect in optical model of biological tissue with modeled neoplasm. In preparation for this, a thermal calibration of the nanoparticles luminescence spectra was carried out. The results of the spectroscopic temperature measurement were compared to infrared thermal camera measurements. It showed that there is a significant difference between temperature recorded with IR camera and the actual temperature of the nanoparticles in the depth of the tissue model. The temperature calculated using the spectral method was up to 10 °C higher.

Photonic crystal fibers with hollow core (HC PCFs) are a specific class of optical fibers characterized by microstructure with periodic holes oriented along fiber. The combination of HC PCF with Raman spectroscopy for biosensors creation is attractive in the terms of the low sample volume, the possibility to increase the integration time without sample degradation and maintaining constant focus during experiments. Here we propose layer-by-layer polyelectrolyte coating of HC PCF inner surface in order to obtain charge-selective absorption of analyte, stabilization of Surface-Enhanced Raman scattering (SERS)-active gold nanoparticles. Distance between SERS hotspots and glass reduces nonlinear signals from glass, and increases signal-to-noise ratio of SERS spectra.

We study the surface enhanced Raman scattering of Methylene Blue (MB) dye molecules induced by large quasihomogeneous arrays of plasmon coupled 5-8 nm Au nanoparticle separated by distances less than 10 nm. Also, the variation of the fluorescence enhancement/SERS properties for as-prepared coupled particles and agglomerated particles obtained upon heat treatment and percolation-like films is analyzed for two measurement protocols, i.e. when measured through the solution and for a monolayer of MB molecules chemisorbed on a surface.

We study an ability of a large quasi-homogeneous monolayer of Au plasmon coupled nanoparticles separated from continuous Au film by polymer spacer to enhance a fluorescence of adsorbed molecular species. A fluorescence response of Methylene Blue molecules is studied as a function of polymer film thickness. A change of plasmonic properties of a system, its ability to enhance a fluorescence and the possible heating of a structure upon light absorption are discussed.

In this contribution, we report an efficient synthesis of Cd-free Ag−In−S /ZnS (AIS/ZnS) quantum dots (QDs) using low toxic precursors and investigation of their optical properties. The nanocrystals (NCs) have been successfully obtained directly in aqueous media in the presence of thioglycolic acid (TGA) as stabilizing and reactivity-controlling agent. The coating with ZnS shell leads to the photoluminescence (PL) emission peak blue-shift and the emission intensity enhancement. In order to increase the quantum yield (QY) the nanocrystals were transferred to the organic phase; an influence by post-synthesis treatments of heating was investigated.

In this paper, the regularity of local light absorption by gold nanostars (AuNSts) model is studied by method of numerical simulation. The mutual diffraction influence of individual geometric fragments of AuNSts is analyzed. A comparison is made with an approximate analytical approach for estimating the average bulk density of absorbed power and total absorbed power by individual geometric fragments of AuNSts. It is shown that the results of the approximate analytical estimate are in qualitative agreement with the numerical calculations of the light absorption by AuNSts.

The tunneling photo effect has been studied in a microdiode with an electrostatic field localized at an emitter based on a nanosized DLC structure. It is established the photocurrent, when the carbon nanoemitter is exposed by laser and tunable low-coherent radiation in the spectral range from UV to near IR with photons of low energy (below work function). A linear dependence of the photocurrent on the level of optical power in the range of micro- and milliwatt power is established. The effect of saturation of the current-voltage characteristics of the tunnel photocurrent associated with a finite concentration of non-equilibrium photoelectrons is observed. The observed spectral Watt-Amper characteristics can be adequately interpreted using a modified Fowler–Nordheim equation for non-equilibrium photoelectrons.

A model for calculating the electrostatic field in the system "probe of a tunnel microscope - a nanostructure based on a DLC film" was developed. A finite-element modeling of the localization of the field was carried out, taking into account the morphological and topological features of the nanostructure. The obtained results and their interpretation contribute to the development of the concepts to the model of tunnel electric transport processes. The possibility for effective usage of the tunneling microscopy methods in the development of new nanophotonic devices is shown.

The paper provides a justification and a comparative analysis of the scaling directions of the developed and investigated planar triode field emission cathode unit with the aim of increasing the maximum field current density up to 0.75 A-cm^-2 without sacrificing durability. The design features of the vacuum device with a planar structure provided low-voltage control - at 150 V in the mode of long-term durability and not more than 250 V in the mode of the maximum permissible emission current.

The treatment with high frequency currents (HFC) is traditionally used to improve the mechanical properties of metal products, in particular hardness and wear resistance. A new method of carburization of titanium samples in a solid carburizer using HFC is proposed in the work. The temperature of the carburization is characterized by a wide range from 1000 to 1400 °C. As a result of thermochemical treatment, a hard coating of TiC (H ≥ 20 GPa) with a microstructure (d = 7-14 μm) consisting of nanoparticles (d = 10-12 nm) is formed on the titanium surface. These coatings are widely used in friction pairs for various purposes, including machinery, instrumentation and medicine.

Electrospark alloying (ESA) technology has existed for a long time (since the middle of the 20th century) but its potential has not been exhausted yet. In the present paper it is proposed to increase the mechanical properties of steel and titanium products by doping with a hard carbide alloy based on "WC-TiC-Co" system. As a result, the hardness of coatings obtained by ESA reaches at least 18-22 GPa with a layer thickness of up to 0.5 mm. The proposed solution can improve the functional qualities of various friction surfaces that are used in engineering, as well as in friction elements.

In the course of high-temperature treatment with high-frequency currents (HFC) in the range from 600 to 1300 °C, carbon and tool steels are strengthened. After the heat treatment the hardness reaches 64-70 HRC for carbon steel (carbon content 0.4-0.5%) and 68-71 HRC for tool steel 1.3343 (R6M5 steel analogue with 0.9-1.0% C content, W – 5-6 wt%, Mo – 3.5-5.3 wt%, V – 1.3-1.8 wt%, Cr – 3.8-4.3 wt%, Mn+Si – 0.5-1 wt%, Fe – balance). The resulting structure is a carbide network, and in the case of tool steel – complex carbides around a high-strength martensitic phase.

As a result of heat treatment of titanium in the high-temperature range (1000-1200 °C), a layer of rutile (TiO2) is formed on the surface, the hardness of which can reach 60 GPa. The production of the coating includes an intensive growth of the crystals, spontaneous scale delamination (up to 100 μm thick) and formation of a submicrometric porous-crystalline structure of a superhard thin coating (about 0.5-1.5 μm thick). Preliminary tests have shown that the resulting coatings of the system "steel substrate – Ti+TiO2" can be used as tool coatings in the treatment of structural steel (0.4-0.5 wt.% carbon content), as well as chromium steel 40Cr13 (0.4 wt.% carbon content, chromium – about 13 wt.%) with a hardness within 45 HRC. These coatings are also characterized by biocompatibility, which was previously proved by in vitro and in vivo tests.

In order to create highly efficient medical systems and measuring biosensors, an approach is frequently used, in which the constructive basis of the product is made of a high-strength biocompatible material (titanium, stainless steel), and the functional layer is made of a more expensive metal (Ta, Zr, Au, Pt, etc.) or ceramics (Ta₂O₅, ZrO₂, CaTiO₃, etc.). For a strong connection, e.g. titanium with tantalum, it is proposed to use diffusion butt welding. The heat generated by passing electric current (I is not less than 1.95-2.05 kA, P – not less than 9 kW, t = 250-1000 ms) and applied pressure (30-50 MPa) ensure an integral connection. To improve the quality of the joint, i.e. to exclude cracks and tightness, it is necessary to choose the right combination of the thickness of the welded parts. It was established that when titanium (2 mm thick) and tantalum (0.1-0.5 mm) are combined, a better Ti-Ta welded joint is formed when tantalum foil is used (0.5 mm). Here the distribution of hardness over the cross section of the sample, including the welding areas, is uniform and has no extremely high residual stresses of the tensile type.

The paper presents the results of a theoretical prediction of the energy stability of graphene nanoblisters with various geometrical parameters. As a criterion for the evaluation of the stability of investigated carbon objects we propose to consider the value of local stress of the nanoblister atomic grid. Numerical evaluation of stresses experienced by atoms of the graphene blister framework was carried out by means of an original method for calculation of local stresses that is based on energy approach. Atomistic models of graphene nanoblisters corresponding to the natural experiment data were built for the first time in this work. New physical regularities of the influence of topology on the thermodynamic stability of nanoblisters were established as a result of the analysis of the numerical experiment data. We built the distribution of local stresses for graphene blister structures, whose atomic grid contains a variety of structural defects. We have shown how the concentration and location of defects affect the picture of the distribution of the maximum stresses experienced by the atoms of the nanoblisters.

Nanocarbon material (Ugleron and Astralens) is used for the first time for the production of metal porous cathode (MPC). It can be assumed that its implementation in the MPC matrix can change the mechanism and rate of occurrence of three-phase reactions of formation of active elements and oxygen and, thereby, improve its emission properties. The new technology of manufacturing MPC is aimed at solving the problem of increasing the durability of electro vacuum devices - more than 100,000 hours. The obtained results are intended for use in technologies for manufacturing of electron sources for electro vacuum devices used in space communication and navigation systems. In addition, they can be useful for other areas of electronics that use a metal-porous thermal cathode as sources of electron emission.

There are manufactured models with the use of Ugleron and Astralens in a sponge and emission substance. A layout using Ugleron in the emission substance is tested for durability and currently has an operating time of 40,000 hours. A model with the use of Astralens and Ugleron in a sponge and emission substance respectively is tested for maximum current density. To date, it shows results comparable to the standard cathode. However, there is a suggestion that cathodes with Astralens and Ugleron have a lower evaporation rate of the active substance. There is predicted longer durability than for the standard cathode at the same emissivity.

Photoluminescent (PL) properties of carbon-based nanomaterials obtained on the base of sodium dextran sulfate (DS) were compared. DS water solution, dry powder and co-precipitated inside pores of CaCO₃ microparticles solution were thermally treated and clear difference between these materials was found. Effect of spatial restriction of CaCO₃ pores showed itself in the identity of PL properties for material, obtained by thermal and hydrothermal treatment; in the absence of CaCO₃ microparticles the PL spectra were quite different.

Photoluminescent (PL) carbon nanoparticles (CNPs) have been synthesized by one-step microwave irradiation from water solution of sodium dextran sulfate (DSS) as the sole carbon source. Microwave (MW) method is very simple and cheap and it provides fast synthesis of CNPs. We have varied synthesis time for obtaining high luminescent CNPs. The synthesized CNPs exhibit excitation-dependent photoluminescent. Final CNPs water solution has a blue- green luminescence. CNPs have low cytotoxicity, good photostability and can be potentially suitable candidates for bioimaging, analysis or analytical tests.

Light field intensity distribution in three-dimensional polylactide scaffolds after irradiation with low-intensity light from one side of the samples has been determined in the visible and near-infrared regions of the spectrum. Two different types of scaffolds manufactured by the methods of supercritical fluid foaming and surface selective laser sintering have been investigated. The problem is solved by numerical calculation according to the Monte Carlo method involving experimentally obtained information about effective optical parameters of the scaffold material. Information about intensity distribution of the incident light in the matrix volume is needed to assess the radiation level for the scaffold cells after photobiostimulation. It has been shown that the formation of the light field in case of strongly scattering media, such as polylactide scaffolds, is determined by anisotropy g and the scattering coefficient μs.

Microstructural optical waveguides with the hollow core are actively studied as a promising support for heterogeneous immunoassay in development of new optical biosensor elements for medicine and biology. Overcoming of the limitations associated with the low sorption capacity of glass used for the waveguides production is a crucial step for this assay format. In this work the possibility of silanization of microstructural optical waveguides with the hollow core using (3-glycidyloxypropyl) trimethoxysilane and their further application to enzymatic immunoassay was studied.

Polyelectrolyte microcapsules are one of the most successful developments in the direction of target drug delivery. Nevertheless, to encapsulate low molecular weight compounds and to deliver the targeted drugs it is necessary to modify the surface of the microcapsules. Silica nanostructures obtained as result of hydrolysis of (3-Aminopropyl)- triethoxysilane (APTES) were used for the modification of the microcapsules. This material shows no toxic effect on cells and is capable of biodegradation. Amino-groups in the structure of APTES make it possible for further direct bioconjugation.

In the work, an experiment was performed to simulate the process of chitosan microtube formation through the interphase polysalt → polybase chemical reaction, on the one hand, and the formation of spatially separated structures under the conditions of reactive diffusion of one of the components, on the other hand. The formation of alternating dark and light bands or concentric rings of the chitosan polybase as a result of the polymer-analogous transformation is visualized by optical microscopy. The results obtained confirm our assumption that the layered structure of our chitosan microtubes is formed according to the Liesegang reaction mechanism.

Our biocompatible hydrogel systems obtained by the sol-gel technqiue and based on chitosan and silicon polyolates are promising for medical and biological applications. The surface microrelief of these sol-gel materials (hydrogels and xerogels) based on chitosan and silicon tetraglycerolate was explored by AFM and SEM. A significant influence of the component ratio in the mixed system on the morphology and surface profile of the hydrogels and xerogels prepared therefrom was established. An increased content of the structure-forming component (chitosan) in the system was shown to increase the roughness scale of the hydrogel surface and to promote the porosity of the xerogel structure.

A chitosan-iodine complex was obtained by modification of polymer powder in the vapor of an iodine-containing sorbate and studied by electron and IR spectroscopy, optical rotation dispersion. It was found that the electronic spectra of an aqueous solution of the modified chitosan (the source one and that stored for a year) showed intense absorption bands of triiodide and iodate ions, and also polyiodide ions, bound to the macromolecule by exciton bonding with charge transfer. Analysis of the IR spectra shows destruction of the network of intramolecular and intermolecular hydrogen bonds in the iodinated chitosan powder in comparison with the source polymer and the formation of a new chemical substance. E.g., the absorption band of deformation vibrations of the hydroxyl group disappears in the modified sample, and that of the protonated amino group shifts toward shorter wavelengths. The intensity of the stretching vibration band of the glucopyranose ring atoms significantly reduces. Heating of the modified sample at a temperature below the thermal degradation point of the polymer leads to stabilization of the chitosan-iodine complex. Based on our studies, the hydroxyl and amino groups of the aminopolysaccharide have been recognized as the centers of retention of polyiodide chains in the chitosan matrix.

The spectral-kinetic characteristics of luminescence of 17 polycyclic aromatic hydrocarbons (PAH) sorbed from a “water-organic solvent” medium on cellulose diacetate (CDA) matrices were studied. A significant increase in the fluorescence signal on the CDA matrix was observed for 13 PAHs in comparison with aqueous solutions. The highest detection sensitivity was found for pyrene, benzo(a)pyrene, and benzo(k)fluoranthene. The fluorescence spectra of two PAH indicator pairs (anthracene–phenanthrene and pyrene–fluoranthene) used to control toxicant emission sources were studied with the simultaneous presence of isomers in the analyte, depending on the excitation wavelength. For both isomer pairs, it has been found that the spectra of their solid-state luminescence overlap insignificantly, the characteristic peaks do not coincide and do not overlap, the sensitivities of detection are close to each other, which makes it possible to consider this technique as promising to control PAH contamination sources.

The results of research the changes in the absorption spectra of aqueous solutions of ascorbic acid under the influence of laser radiation are presented. The solutions were irradiated with the radiation of semiconductor lasers with wavelengths of 408 and 532 nm, YAG: Nd³⁺ laser with a wavelength of 1064 nm and a nitrogen laser with a wavelength of 337.1 nm. The photoinduced changes in the spectrum are revealed, which indicate the breakage of π → π bonds in the molecule of ascorbic acid during its destruction.

The results of numerical calculations of IR absorption and Raman spectra of ascorbic acid in polar and nonpolar solutions are presented. The dependence of the change in the total energy and the dipole moment of the molecule on the characteristics of the solvents was investigated using the two solvation models. Spectral bands and the corresponding structural groups of the molecule are found, the characteristics of which are most vulnerable to solvents.

The aim of the work is the investigation of bending on the properties of hypothetical one-atom-thick copper clusters (CC) (with 10 and 22 atoms). Time-dependent density functional theory with PBE0 functional and lanl2dz basis set were used for all calculations. The bending was performed by changing angle between copper atoms from 180° to 144° and 163.7° (2° step size) for CC with 10 and 22 atoms, correspondingly. The dependences of absorbance spectra in UVvisible-NIR range (400-2000 nm range) and various energetic characteristics (final energy, chemical potential, and binding energy) on bending angle were investigated. Non-bended (linear) clusters were assigned as references. First, absorbance spectra of all CC contain interband transitions (3d→4sp) in UV-visible range (below 600 nm). Linear configuration of CC also contain intensive absorbance band in NIR region (at 900 and 1700 nm for CC with 10 and 22 atoms) which is associated with 4s electron oscillations along clusters (longitudinal transitions). Significant dumping of low energy 4s transitions (HOMO→LUMO) and interband transitions in the range 600‒500 nm was observed during the bending of CC. Obtained results are in agreement with experimental results for 2D copper nanostructures from literature. We explain such influence of bending by formation merging 4s orbitals which form new 4s oscillations in-plane of bending (in the case of ring-like CC – diametral oscillations). An influence of bending on energy, stability, and chemical potential (Fermi level) of CC was also investigated and discussed.

The interaction of glycerol immersion agent with collagen mimetic peptide ((GPH)₉)₃ and a fragment of the microfibril 5((GPH)₁₂)₃ was studied by the classical molecular dynamics method using the GROMACS software. The change in geometric parameters of collagen α-chains at various concentrations of an aqueous solution of glycerol is analyzed. It is shown that these changes nonlinearly depend on the concentration and are limited to a certain level, which correlates with the experimental data on optical clearing efficiency of human skin. A hypothesis on the cause of the decreased efficiency of optical skin clearing at high immersion agent concentrations is put forward. The molecular mechanism of immersion optical clearing of biological tissues is discussed.

FT-IR spectra of grape seed oil and glycerol were registered in the 650-4000 cm-1 range. Molecular models of glycerol and some fatty acids that compose the oil under study – linoleic, oleic, palmitic and stearic acids – as well as their triglycerides were developed within B3LYP/6-31G(d) density functional model. A vibrating FT-IR spectrum of grape seed oil was modeled on the basis of calculated values of vibrating wave numbers and IR intensities of the fatty acids triglycerides and with regard to their percentage. Triglyceride spectral bands that were formed by glycerol linkage vibrations were revealed. It was identified that triglycerol linkage has a small impact on the structure of fatty acids and, consequently, on vibrating wave numbers. The conducted molecular modeling became a basis for theoretical interpretation on 10 experimentally observed absorption bands in FT-IR spectrum of grape seed oil.