Tatiana Dolenko

Tatiana Dolenko
Lomonosov Moscow State University | MSU · Faculty of Physics

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58
Publications
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699
Citations

Publications

Publications (58)
Chapter
A neural network solution to the inverse problem of optical spectroscopy for determining ion concentrations in a multicomponent aqueous solution of heavy metal salts and methods for increasing its resilience to noise in the data are considered. It is shown that simultaneous use of the selection of significant input features and the integration of p...
Article
Does the hybridization of the surface of carbon nanoparticles (CNPs) affect the properties of the surface carboxyl and hydroxyl groups and the features of their deprotonation in water? To answer these questions in this work the structures of graphite-and diamond-like carbon cells with OH and COOH groups optimized by the DFT method were studied. It...
Article
A solution of spectroscopic inverse problems, implying determination of target parameters of the research object via analysis of spectra of various origins, is an overly complex task, especially in case of strong variability of the research object. One of the most efficient approaches to solve such tasks is use of machine learning (ML) methods, whi...
Chapter
This study considers a neural network solution to the inverse problem based on the integration of optical spectroscopy methods for determining ion concentrations in aqueous solutions. The effect of integration of physical methods is studied using the selection of significant input features. The previously formulated thesis is confirmed that if the...
Chapter
In this study, we consider adding noise during training of a neural network as a method of improving the stability of its solution to noise in the data. We tested this method in solving the inverse problem of Raman spectroscopy of aqueous ethanol solutions, for a special type of distortion caused by changes in the power of laser pump leading to com...
Chapter
Wavelet neural networks (WNN) are a family of approximation algorithms that use wavelet functions to decompose the approximated function. They are more flexible than conventional multi-layer perceptrons (MLP), but they are more computationally expensive, and require more effort to find optimal parameters. In this study, we solve the inverse problem...
Article
Full-text available
Aqueous micellar solutions of sodium dodecyl sulphate (SDS) were investigated using X-ray scattering technique in the concentration range 0.008–0.1 M and analyzed by a model-independent approach. The obtained diameter of the spherical micelle (6.0 nm) with concentration 0.01 M is greater than that analyzed by direct modeling and by small-angle neut...
Article
Hypothesis: Nanodiamonds, one of the most promising nanomaterials for the use in biomedicine, placed in the organisms are bound to interact with various amphiphilic lipids and their micelles. However, while the influence of surfactants, the close relative of lipids, on the properties of colloidal nanodiamonds is well studied, the influence of nanod...
Chapter
The present paper is devoted to an elaboration of a method of diagnosis of alcoholic beverages using artificial neural networks: the inverse problem of spectroscopy – determination of concentrations of ethanol, methanol, fusel oil, ethyl acetate in water-ethanol solutions – was solved using Raman spectra. We obtained the following accuracies of con...
Chapter
In most cases, inverse problems are ill-posed or ill-conditioned, which is the reason for high sensitivity of their solution to noise in the input data. Despite the fact that neural networks have the ability to work with noisy data, in the case of inverse problems, this is not enough, because the incorrectness of the problem “outweighs” the ability...
Article
Efficiency of adsorption of nucleic acid nitrogenous bases on carboxylated detonation nanodiamond (DND-COOH) particles in aqueous media at pH=7.4-7.6 and pH=13.4 were investigated using Raman spectroscopy and infrared (IR) absorption spectroscopy. A significant difference in adsorption activity of nanodiamonds toward four different individual nitro...
Article
In this study, a new approach to the implementation of optical imaging of fluorescent nanoparticles in a biological medium using artificial neural networks is proposed. The studies were carried out using new synthesized nanocomposites - nanometer graphene oxides, covered by the poly(ethylene imine)-poly(ethylene glycol) copolymer and by the folic a...
Article
This study considers solving the inverse problem of determination of salt or ionic composition of multi-component solutions of inorganic salts by their Raman spectra using artificial neural networks. From the point of view of data analysis, one of the key problems here is high input dimensionality of the data, as the spectrum is usually recorded in...
Conference Paper
Full-text available
In this study artificial neural networks were used for elaboration of the new method of monitoring of excreted nanocomposites-drug carriers and their components in human urine by their fluorescence spectra. The problem of classification of nanocomposites consisting of fluorescence carbon dots covered by copolymers and ligands of folic acid in urine...
Article
Full-text available
The considered multi-parameter inverse problem is determination of concentrations of salts or ions in multi-component water solutions of inorganic salts by Raman spectroscopy with subsequent spectra analysis by a non-linear adaptive method (multilayer perceptron type artificial neural networks (ANN) and by a linear adaptive method (partial least sq...
Article
CDOM (coloured or chromophoric dissolved organic matter) is present in all types of natural water and plays a significant role in its optical properties. The humic-type fluorescence band (emission in the blue region with a maximum within 400 to 500 nm) essentially depends both on the CDOM source and on the wavelength of the exciting radiation. Desp...
Article
Full-text available
In the given study the new approach to solution of the problem of monitoring the removal of luminescent nanocomposites and their components from the body with urine is proposed. The monitoring is performed by luminescence spectra with the help of classical perceptron type neural networks and of wavelet neural networks. A comparative analysis of the...
Conference Paper
The paper presents a study of aspects of using single and multiple output artificial neural networks to determine concentrations of inorganic salts in multicomponent water solutions by processing their Raman spectra. The dependence of the results on complexity of the inverse problem has been demonstrated. The results are compared for two data array...
Article
Influence of nanodiamonds (ND) of 35 and 100 nm in size, containing NV centers, on the strength of hydrogen bonds under heating of the ND water suspensions in the range of 5–95 °C was studied by Raman spectroscopy. General tendency of both NDs to weaken hydrogen bonds in water was found. Substantial influence of functional state of ND surface on hy...
Chapter
The paper presents a study into several aspects of solution of the inverse problem on determination of concentrations of components in a multi-component water solution of inorganic salts by processing Raman spectra of the solutions by perceptron type artificial neural networks. The studied aspects are: (1) determination of the optimal architecture...
Article
Full-text available
Raman spectra are a valuable source of information about the studied object widely used in laser spectroscopy of liquids. Estimating the values of object parameters from Raman spectra is an incorrect inverse problem with high input dimensionality, which may be successfully solved by artificial neural networks. One of the ways to reduce this dimensi...
Article
Interactions of oxidized detonation nanodiamond and carbon dots with protic solvent molecules in suspensions of water, methanol, and isopropyl alcohol were studied by Raman and fluorescence spectroscopy. The structure of the solvent at the interface with nanoparticles and the strength of the hydrogen bonds between the functional groups on the surfa...
Chapter
The studied inverse problem is determination of ionic composition of inorganic salts (concentrations of up to 10 ions) in multi-component water solutions by their Raman spectra. The regression problem was solved in two ways: 1) by a multilayer perceptron trained on the large dataset, composed of spectra of all possible mixing options of ions in wat...
Article
Full-text available
Nanodiamond particles are widely recognized candidates for biomedical applications due to their excellent biocompatibility, bright photoluminescence based on color centers and outstanding photostability. Recently, more complex architectures with a nanodiamond core and an external shell or nanostructure which provides synergistic benefits have been...
Conference Paper
The studied inverse problem is determination of partial concentrations of inorganic salts in multi-component water solutions by their Raman spectra. The problem is naturally divided into two parts: 1) determination of the component composition of the solution, i.e. which salts are present and which not; 2) determination of the partial concentration...
Article
Full-text available
A multifunctional core-shell nanocomposite platform consisting of a photoluminescent nanodiamond (ND) core with uniform porous silica coatings is presented. This design intended for drug delivery applications allows simultaneous stable fluorescent imaging with high loading capacity of bioactive molecules. Despite irregularly shaped starting cores,...
Article
Full-text available
Recent advances within materials science and its interdisciplinary applications in biomedicine have emphasized the potential of using a single multifunctional composite material for concurrent drug delivery and biomedical imaging. Here we present a novel composite material consisting of a photoluminescent nanodiamond (ND) core with a porous silica...
Conference Paper
In their previous papers, the authors of this study have suggested and realized a method of simultaneous determination of temperature and salinity of seawater using laser Raman spectroscopy, with the help of neural networks. Later, the method has been improved for determination of temperature and salinity of natural water using Raman spectra, in pr...
Article
Full-text available
Vibrational spectroscopy provides invaluable information about hydrogen bonding in aqueous solutions. To study changes in H-bonding due to increase of ethanol concentration in water, we perform research on water–ethanol binary mixtures with various mixing ratios using a combination of Raman scattering and IR absorption techniques. We study Raman sp...
Article
Full-text available
Although vodka is a reasonably pure mixture of alcohol and water, beverage drinks typically show differences in appeal among brands. The question immediately arises as to the molecular basis, if any, of vodka taste perception. This study shows that commercial vodkas differ measurably from ethanol-water solutions. Specifically, differences in hydrog...
Article
Full-text available
The results of Raman spectroscopy research of aqueous ethanol solutions with various mixing ratios are presented. The analysis of the behavior of Raman spectra with changes in ethanol concentration from 0 to pure ethanol is given. The analysis of contour of stretching OH-band provided information about changes in hydrogen bonding along with increas...
Article
Full-text available
In this study, an investigation of the behaviour of stretching bands of CH and OH groups of water–ethanol solutions at alcohol concentrations ranging from 0 to 96% by volume has been performed. A new approach to decomposition of the wide structureless water Raman band into spectral components based on modern mathematical methods of solution of inve...
Article
Full-text available
The role of Fermi resonance in formation of valence band of water Raman scattering was investigated. Simultaneous measurement of characteristics of bending and valence bands of water in D2O solutions, KBr, and KCl and using genetic algorithms in conjunction with variation methods allowed increasing accuracy of estimation of Fermi resonance coupling...
Article
A review is given of lasers utilizing multicomponent dye solutions and photochemical lasers relying on fast proton phototransfer reactions in organic compounds. An analysis is made of the influence of fast reversible photochemical reactions and electron energy transfer processes on broadening of the spectral tuning range of dye laser radiation. Cri...
Article
The problem of determination of oil pollution (OP) in nature water in situ remains topical. Laser fluorimetry as an approach to solution of this problem provides high sensitivity and the opportunity of implementation in remote mode. In this paper, we suggested to use artificial neural networks to extract small contributions of oil pollution to the...
Article
In this paper research of behavior of dependencies of characteristics of water Raman scattering valence band on type and concentration of inorganic salts was carried out. It was shown that influence of anions on Raman scattering valence band is much stronger than influence of cations. Explanation of obtained results using theory of ion hydration wa...
Article
This paper is devoted to successful application of artificial neural networks (ANN) for more precise analysis of Raman spectra, and for the solution of the inverse problems of laser Raman spectroscopy. The characteristic peculiarities of the valence band shape of Raman scattering by water molecules in the solutions of KBr, KCl, KI, NaCl, NaI electr...
Article
Laser Raman spectroscopy can be an effective method for simultaneous determination of tem- perature and salinity of nature waters. In this paper, a new way of processing spectra is sug- gested. Artificial neural networks are applied to solve the two-parameter inverse problem of de- termining temperature and salinity using the shape of the valence b...
Article
Full-text available
We discuss the problems with and the real possibilities of determining oil pollution in situ in coastal marine waters with fluorescence spectroscopy and of using artificial neural networks for data interpretation. In general, the fluorescence bands of oil and aquatic humic substance overlap. At oil concentrations in water from a few to tens of micr...
Article
Inverse problems in laser spectroscopy are reported to be successfully solved by application of artificial neural networks, a powerful data processing technique that performs better than traditional variation algorithms of solving inverse problems.
Conference Paper
Full-text available
Two methodological approaches to inverse problems solu- tion with the help of neural networks are considered: "ex- periment-based" and "model-based". Their merits, draw- backs, and characteristics of their use are discussed. Suc- cessful application of neural networks for solution of three inverse problems in laser spectroscopy of water media is re...
Article
The central problem in laser sensing of natural organic complexes (NOC) in water, is their identification and determination of their state. This is an essential condition for quantitative characterization of an object by optical methods (e.g. fluorimetry). It is very difficult to solve the NOC identification problem dealing only with spectra. It is...
Article
A matrix method synthesizing methods of kinetic and non-linear laser fluorimetry is presented in this paper. It is assumed that in the case of a rational selection of the range for photon flux density of the exciting radiation, and of the range of time for measurements of fluorescence kinetics, it is possible to determine a substantial number of mo...

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