The new approach to a pattern recognition of volatile compounds: the inflammation markers in nasal mucus swabs from calves using the gas sensor array

This paper discusses the application of two approaches (direct and inverse) to the identification of volatile substances by means of a gas sensor array in a headspace over nasal mucus swab samples taken from calves with differing degrees of respiratory damage. We propose a unique method to visualize sensor array data for quality analysis, based on the spectra of cross mass sensitivity parameters. The traditional method, which requires an initial sensor array trained on the vapors of the individual substances (database accumulation)-with their further identification in the analyzed bio-samples through the comparison of the analysis results to the database-has shown unsatisfactory performance. The proposed inverse approach is more informative for the pattern recognition of volatile substances in the headspace of mucus samples. The projection of the calculated parameters of the sensor array for individual substances in the principal component space, acquired while processing the sensor array output from nasal swab samples, has allowed us to divide animals into groups according to the clinical diagnosis of their lung condition (healthy respiratory system, bronchitis, or bronchopneumonia). The substances detected in the gas phase of the nasal swab samples (cyclohexanone, butanone-2,4-methyl-2-pentanone) were correlated with the clinical state of the animals, and were consistent with the reference data on disease markers in exhaled air established for destructive organism processes

Features ofweb-publications for promotion of information services of UrFU

В статье проанализированы публикации Дирекции информационных технологий УрФУ, посвященные продвижению информационных сервисов. Показаны стилистические различия текстов, распространяемых по разным каналам и рассчитанных на разную целевую аудиторию.Thearticle analyzes the publications of the Directorate of information technology, Ural Federal University, dedicated to advancing information services. The article shows the stylistic differences of the texts that are distributed through different channels and for different target audience

ИНФОРМАТИВНОСТЬ ВЫХОДНЫХ СИГНАЛОВ «ЭЛЕКТРОННОГО НОСА» НА ПЬЕЗОСЕНСОРАХ

The purpose of this research was assessing the influence of the various factors on the output signals of the static "electronic nose" based on the piezoelectric sensors, and determining the informative nature of these signals for the identification and determination of the marker-substances related to the pathogenic processes in the equilibrium gas phase over the aqueous solutions. Individual substances contained in bio samples in the presence of pathogenic and neoplastic processes, such as ammonia, amines, carboxylic acids, ethanol, 1-butanol, acetone, ethyl acetate, phenol, hydrogen sulfide and water were selected as the marker-substances. The selective coating of sensors was chosen based on the results of the numerous studies for the living systems of different nature in order to determine the deviations from the norm, which included standard chromatographic phases and specific sorbents (indicators, crown ethers). It was shown that the analytical information of the electronic nose based on the piezoelectric sensors no more dependent on the experimental conditions than other popular, widely used methods of analysis. The informative value of the sensors array’ output signals which were used to identify the substances was described. The array set of piezoelectric sensors identification parameters was established in order to detect amines, organic acids, alcohols, ethyl acetate, acetone in the equilibrium gas phase over the aqueous solutions. The influence of the sensors order in the array on the values of three-element identification parameters has been demonstrated. The scheme of the identification parameters application, including nonselective ones, has been proposed for detecting the organic substances coincidentally at least two parameters. The possibility of an application of these parameters to identify amines, acids, alcohols, ketones in the equilibrium gas phase over the aqueous solutions of mixtures from these substances has been proven. This approach was characterized by high sensitivity and specificity, and may be used for the identification of substances in equilibrium gas phase over the samples with high water content (blood, urine, lymph, perspiration, juices, beverages).Key words: piezoelectric sensors, electronic nose, analytical signals, marker-substances, identification parameters, informativenessDOI: http://dx.doi.org/10.15826/analitika.2017.21.2.001T.A. Kuchmenko and A.A. Shuba* Voronezh State University of Engineering Technologies, faculty of ecology and chemical technology, Revolution Avenue, 19, Voronezh, 394036, Russian Federation Обсуждается влияние температуры, влажности, режимов измерения, собственных характеристик пьезорезонаторов, природы и массы сорбента, природы и содержания аналита, типа проб на выходные данные массива пьезосенсоров, в том числе на параметры, используемые для идентификации веществ в смесях, и пути устранения или минимизации этого влияния. Показано, что аналитическая информация «электронного носа» на пьезосенсорах не более зависима от условий эксперимента, чем популярные, широко распространенные методы анализа. Описана информативность выходных сигналов массива сенсоров, используемых для идентификации веществ. Установлены идентификационные параметры массива пьезосенсоров для обнаружения аминов, органических кислот, спиртов, этилацетата, ацетона в равновесной газовой фазе над водными растворами. Продемонстрировано влияние порядка расположения сенсоров в массиве на значения трехэлементных идентификационных параметров. Предложена схема применения идентификационных параметров, в том числе неселективных, для обнаружения органических веществ по совпадению не менее двух параметров. Доказана возможность применения данных параметров для идентификации аминов, кислот, спиртов, кетонов в равновесной газовой фазе над водными растворами их смесей. Данный подход характеризуется высокой чувствительностью и специфичностью и может быть использован для идентификации веществ в равновесной газовой фазе над пробами с большим содержанием воды (кровь,  моча, лимфа, пот, соки, напитки).Ключевые слова: пьезосенсоры, электронный нос, вещества-маркеры, аналитический сигнал, идентификационные параметры, информативность.DOI: http://dx.doi.org/10.15826/analitika.2017.21.2.001

Квантовые точки: опыт и перспективы применения в аналитических системах

The article is of a review nature, in which the dynamics of publication activity is analyzed and the possibilities of using quantum dots to solve various analytical problems are evaluated. The attention is paid to both traditional and relatively rare areas of analytical application of these nanostructures. A brief review of the types, advantages and disadvantages of synthesis methods, the influence of external factors on the band gap and luminescence intensity of inorganic nanosized phosphors, quantum dots of different nature, is presented. The areas of application and the main tasks solved with the use of quantum dots are systematized. Their analytical characteristics, operational properties and ways of regulating them are discussed. An effective way to control the analytical properties of the systems based on quantum dots is a directional change of the affinity for components by varying the nature of the stabilizing or modifying shell. Semiconductor colloidal quantum dots coated with a larger bandgap shell were selected for analytical use as the most commonly used systems due to their good photostability and fluorescence quantum yield. The advantages and disadvantages of other types of shells, as well as ways of modifying them, are shown. Solutions for organic analysis and medical diagnostics are considered. Systems of quantum dots used as biosensors with various guiding agents are considered, and their properties, advantages and disadvantages compared. Little studied issues and solutions in the direction of using quantum dots for developing sensor systems and their use for non-invasive analysis of living systems based on the results of detection of volatile organic compounds are identified.Keywords: quantum dots, application, analysis, reviewСтатья носит обзорный характер, в ней анализируется динамика публикационной активности, оцениваются возможности применения квантовых точек для решения различных аналитических задач. При этом внимание уделяется как традиционным, так и сравнительно редким направлениям аналитического применения этих наноструктур. Представлен краткий обзор типов, достоинств и недостатков способов синтеза, влияния внешних факторов на ширину запрещенной зоны и интенсивность люминесценции неорганических наноразмерных люминофоров - квантовых точек разной природы. Систематизированы области применения и основные задачи, решаемые с применением квантовых точек. Обсуждаются их аналитические характеристики, эксплуатационные свойства и способы управления ими. Показано, что эффективным способом управления аналитическими свойствами систем на основе квантовых точек является направленное изменение сродства к компонентам за счет варьирования природы стабилизирующей или модифицирующей оболочки. Для использования в аналитических целях выделены полупроводниковые коллоидные квантовые точки, покрытые оболочкой с большей шириной запрещенной зоны, как наиболее часто используемые системы, благодаря их хорошим фотостабильности и квантовому выходу флуоресценции. Показаны преимущества и недостатки других типов оболочек, а также способы их модификации. Рассмотрены решения для органического анализа и медицинской диагностики. Рассмотрены системы квантовых точек, применяемые в качестве биосенсоров, с различными направляющими агентами, сопоставлены их свойства, достоинства и недостатки. Определены мало проработанные вопросы и решения в направлении применения квантовых точек для разработки сенсорных систем, использования их для неинвазивного анализа живых систем по результатам детектирования легко летучих органических соединений.Ключевые слова: квантовые точки, применение, анализ, обзо

ЭКСПРЕССНЫЙ СПОСОБ АНАЛИЗА КРЕПКИХ СПИРТНЫХ НАПИТКОВ МАССИВОМ ПЬЕЗОСЕНСОРОВ «ЭЛЕКТРОННЫЙ НОС»

A new way of express analysis of alcohol-containing liquids with the possibility of identification of fusel oil set components using chemical gas sensors has been developed. The sorption of the volatile organic components of the basic alcohol-containing liquids’ volatile fraction has been studied. The optimum set of piezosensors was chosen, and most importantly, it was adapted to the basic test substances (propanone, 1-propanol, 2-propanol, 1-butanol, 2-butanol, ethanol, butanone, acetaldehyde, ethyl acetate, butyl acetate, water). The possibility of applying an express method of piezoelectric quartz crystal micro-weighing for the identification of gross falsification of alcohol-containing beverages with the high ethanol content was positively evaluated. Several methodical approaches were offered to identify the individual vapor components in the mixture of fusel oils. The sample analysis of the alcohol-containing liquids was done simultaneously by the method of gas chromatography. The correlation between the area of the “visual print” signals, the optimized composition of chemical sensors and the parameters of gas chromatography was established. The newly developed method significantly reduces the time and the economic costs allowing you to quickly identify volatile organic substances in alcoholic beverages, and it is also helpful and suitable for the routine analysis.Keywords: the component of fusel oil, alcohol-containing liquids, quality, electronic nose, chemical sensorsDOI: http://dx.doi.org/10.15826/analitika.2017.21.3.003 T.A. Kuchmenko, E.V. Bodrenko, E.P. AnokhinaVoronezh state university of engineering technologies, pr. Revoliutsii, 19, Voronezh, 394036, Russian FederationРазработан экспрессный способ анализа спиртосодержащих жидкостей набором химических газовых сенсоров с установлением проб низкого качества, фальсификатов и возможностью идентификации компонентов сивушного масла без разделения. Изучена сорбция легколетучих органических компонентов, входящих в  основную легколетучую фракцию спиртосодержащих жидкостей. Выбран оптимальный набор пьезосенсоров, который адаптирован к основным тест-веществам (пропанон, пропанол-1, пропанол-2, бутанол-1, бутанол-2, этанол, бутанон, ацетальдегид, этилацетат, бутилацетат, вода). Положительно оценена возможность применения экспрессного способа пьезокварцевого микровзвешивания для выявления грубых фальсификатов спиртосодержащих напитков с высоким содержанием этанола. Предложены методические подходы для идентификации в смеси паров отдельных компонентов сивушного масла. Установлена корреляция между площадью «визуального отпечатка» сигналов химических сенсоров и параметрами газовой хроматографии. Разработанный способ существенно уменьшает временные и экономические затраты рутинного анализа, позволяет в короткие сроки выявить фальсификаты и пробы, не соответствующие нормам, определить легколетучие органические вещества сивушного масла в алкогольных напитках без разделения и иной пробоподготовки.Ключевые слова: компоненты сивушного масла,  спиртосодержащие жидкости, качество, электронный нос, химические сенсорыDOI: http://dx.doi.org/10.15826/analitika.2017.21.3.00

Quantum dots: experience and prospects of application in analytical systems

Статья носит обзорный характер, в ней анализируется динамика публикационной активности, оцениваются возможности применения квантовых точек для решения различных аналитических задач. При этом внимание уделяется как традиционным, так и сравнительно редким направлениям аналитического применения этих наноструктур. Представлен краткий обзор типов, достоинств и недостатков способов синтеза, влияния внешних факторов на ширину запрещенной зоны и интенсивность люминесценции неорганических наноразмерных люминофоров - квантовых точек разной природы. Систематизированы области применения и основные задачи, решаемые с применением квантовых точек. Обсуждаются их аналитические характеристики, эксплуатационные свойства и способы управления ими. Показано, что эффективным способом управления аналитическими свойствами систем на основе квантовых точек является направленное изменение сродства к компонентам за счет варьирования природы стабилизирующей или модифицирующей оболочки. Для использования в аналитических целях выделены полупроводниковые коллоидные квантовые точки, покрытые оболочкой с большей шириной запрещенной зоны, как наиболее часто используемые системы, благодаря их хорошим фотостабильности и квантовому выходу флуоресценции. Показаны преимущества и недостатки других типов оболочек, а также способы их модификации. Рассмотрены решения для органического анализа и медицинской диагностики. Рассмотрены системы квантовых точек, применяемые в качестве биосенсоров, с различными направляющими агентами, сопоставлены их свойства, достоинства и недостатки. Определены мало проработанные вопросы и решения в направлении применения квантовых точек для разработки сенсорных систем, использования их для неинвазивного анализа живых систем по результатам детектирования легко летучих органических соединений.The article is of a review nature, in which the dynamics of publication activity is analyzed and the possibilities of using quantum dots to solve various analytical problems are evaluated. The attention is paid to both traditional and relatively rare areas of analytical application of these nanostructures. A brief review of the types, advantages and disadvantages of synthesis methods, the influence of external factors on the band gap and luminescence intensity of inorganic nanosized phosphors, quantum dots of different nature, is presented. The areas of application and the main tasks solved with the use of quantum dots are systematized. Their analytical characteristics, operational properties and ways of regulating them are discussed. An effective way to control the analytical properties of the systems based on quantum dots is a directional change of the affinity for components by varying the nature of the stabilizing or modifying shell. Semiconductor colloidal quantum dots coated with a larger bandgap shell were selected for analytical use as the most commonly used systems due to their good photostability and fluorescence quantum yield. The advantages and disadvantages of other types of shells, as well as ways of modifying them, are shown. Solutions for organic analysis and medical diagnostics are considered. Systems of quantum dots used as biosensors with various guiding agents are considered, and their properties, advantages and disadvantages compared. Little studied issues and solutions in the direction of using quantum dots for developing sensor systems and their use for non-invasive analysis of living systems based on the results of detection of volatile organic compounds are identified.Исследование выполнено за счет гранта Российского научного фонда № 23-23-00609, https://rscf.ru/project/ 23-23-00609.This work was supported by the Russian Science Foundation (grant no. № 23-23-00609, https://rscf.ru/project/ 23-23-00609

New way of definition of an androstenon

By means of "an electronic nose" the problem of detection in salted pork fat of an androstenon is solved, even small concentration of which negatively affect consumer appeal of a product. The massif from eight differently selective gas sensors is applied to detecting of an androstenon. The massif is previously trained on easily volatile compounds of various classes (alcohols, ketones, water, nitrogen-containing connections). Significant differences in analytical signals of the massif of sensors at the maintenance of an androstenon in model test of salted pork fat at the level of 0.5 threshold limit values are established. Except an androstenon in crude salted pork fat also early signs of damage and also the overestimated moisture content are reliably fixed. Changes in test of salted pork fat at violation of storage conditions also authentically are registered a set of sensors though at the same time changes in color and a salted pork fat smell by tasters are not recorded. establishments of subtle differences in a smell of tests of salted pork fat are calculated parameters A (i/j) which are qualitative criteria of piezo-quartz microweighing. Parameters allow to identify in mix of substance and to track significant changes in structure of an equilibrium gas phase over tests. Responses of sensors with the modifiers sensitive to damage biomarkers are informative: alcohols, acids, ketones, nitrogen - and sulfur-containing connections while presence and the maintenance of an androstenon fix sensors with the modifiers sensitive to aromatic and cyclic hydrocarbons. A lot of the tests necessary for the analysis with double repetition did not exceed 5 g, measurement time – 60 with, the volume of an equilibrium gas phase of 5 cm3, an error – 10%. The analyzer of gases is reliable and easy-to-work.

Application of artificial smell systems for bakery products state monitoring

Examples of the integrated analytical system "electronic nose" use to discover early signs of bakery products deterioration are studied in the article. The development of physical and chemical analysis methods goes along the path of samples composition differentiating and making decisions on the components set content that determine the product safety and quality. However, the differentiation and descriptor assessment of the integral organoleptic properties, especially of smell and taste, does not reflect the product true state. The development of innovative methods is based on the approximation of instrumental analysis of smell and taste to human perception. The results of quality assessment and changes in the state of white and black bread during storage by the signals of an array of chemical sensors based on highly sensitive piezoelectric scales are presented. Piezoelectric quartz microscales are modified with nanostructured phases of various nature and mass. Modifiers were selected taking into account their selectivity and sensitivity to easily volatile biomolecules, the content of which can be changed with the maturation or spoilage of bread, or during storage. As such phases, biohydroxyapatite, multilayer carbon nanotubes oxidized with nitric acid, zirconium nitrate are used. It was shown that the MAG-8 electronic nose signals based on eight piezosensors with nanostructured phases it is possible to detect changes in the state of bread by the qualitative and quantitative composition of the mixture of volatile biomolecules that the array is tuned to. For samples of a loaf of wheat flour and black bread, the composition of marker substances was determined, reflecting the nature of the products and their change during storage and spoilage. Changes in the content of water, acetic acid, ketones, alcohols, acetates and amines were noted in the article. The calculated parameters of the "electronic nose" associated with the content of these compounds and allowing them to be recognized in a mixture in the presence of other compounds were offered in the work

THE IDENTIFICATION OF MONOETHANOLAMINE IN THE ATMOSPHERE USING TWO SENSORS ON THE BASE OF POTASSIUM FLUORIDE MICROPHASE

The possibility of potassium fluoride microphase application as a modifier of a piezoelectric quartz crystal resonator, which is selective to vapour of based volatile organic compounds in the presence of water vapour, is studied. As an additional progressive impact on the system to increase the sensitivity of the microbalance, it is suggested to form the modifier layers of different thickness (mass). It is founded out that the increase in mass of potassium fluoride microphase changes the sensitivity of the sensor to selected analytes vapour differently. Unlike other substances investigated, amines are adsorbed by the surface of potassium fluoride coating without penetrating into the meso- and micropores. The polarity of analytes, the presence of hydrated functional groups and the residual solvent in the microphase affect the sensitivity of the microbalance in a greater degree. For detecting the vapour of alkylamines and monoethanolamine in gas environment it is preferable to use the sensor with a low-mass potassium fluoride film. In order to reduce the detection limit of the microbalance of mixed vapour of ketones and alkylacetates, a high-mass potassium fluoride film is recommended. Kinetic "visual prints" of a set of two sensors responses with different-mass potassium fluoride microphases have been built and divided into three groups. It is established that geometric form of "visual prints" of sensor responses does not depend on the concentration of substances in the mixture, but their area does. Kinetic "visual print" of sensor responces in monoethanol-amine vapour differs greatly from others. A new kinetic identification parameter A is proposed and calculated for all investigated analytes. A method of high-selective detection of monoethanolamine vapour has been proposed by a set of two sensors with different-mass coating in gas mixtures as well as in various samples containing it