Дисертації з теми "Automation of analytical transformations"

Диссертация на соискание ученой степени доктора технических наук по специальности 05.13.07 – автоматизация процессов управления. – Национальный технический университет "Харьковский политехнический институт", Харьков, 2017. Диссертация посвящена решению научно-прикладной проблемы разработки бортовой системы поддержки принятия решений машинистом, созданной на основе обобщенных математических моделей и средств оптимизации динамики подвижных объектов с использованием новых методов и программного обеспечения, а также новой технологии обработки информации на основе стабильно-пластичных нейронных сетей и новых моделей ассоциативной памяти, что создает теоретическую предпосылку разработки автоматических систем управления подвижным составом и позволяет улучшить его энергетические характеристики. Разработана модель дизель-поезда, учитывающая основные виды колебаний вагонов и распределение сил взаимодействия между ними во время движения, а также параллельную работу тяговых приводов, которая адекватно отражает процессы, протекающие на реальном объекте. Разработано программное обеспечение, реализующее человеко-машинную систему, которая позволяет автоматизировать аналитические преобразования геометрической теории управления при синтезе моделей в форме Бруновского для объектов, описываемых системами обыкновенных дифференциальных уравнений высокого порядка с несколькими управлениями. На основе нейронных сетей адаптивной резонансной теории, способных решать задачи с несколькими решениями, предложен новый метод поиска функций преобразования между переменными линейных и нелинейных моделей. С помощью принципа максимума решены две задачи оптимального управления тяговым подвижным составом: максимального быстродействия и минимизации взвешенной линейной комбинации времени и расходов квадрата управления, что позволяет, с одной стороны, получить для каждого участка пути законы управления, которые определяют минимально необходимое время для преодоления перегона, а с другой стороны, получить законы управления, обеспечивающие график движения и минимизацию расхода топливно-энергетических ресурсов. Разработаны стабильно-пластичные нейронные сети Хемминга, Хебба и сети на основе перцептрона, способные распознавать новую информацию и дообучаться в процессе своего функционирования, которые позволяют использовать их как альтернативу дискретным нейронным сетям адаптивной резонансной теории. Разработана бортовая система поддержки принятия решений, которая позволяет в реальных условиях скоростного движения выдавать машинисту закон управления поездом, при котором соблюдается график движения при минимальных затратах топливно-энергетических ресурсов. Для реализации базы данных системы поддержки принятия решений машинистом разработана N-направленная нейросетевая ассоциативная память, которая способна восстанавливать по входному вектору множество из N векторов, ассоциативных к входной информации, и двунаправленная многослойная дискретная ассоциативная память с управляющими нейронами, которая способна восстанавливать цепочки ассоциаций и корректировать результаты с учетом дополнительной информации. Создана база знаний, позволяющая запоминать несколько равноценных решений о законе управления поездом для текущего перегона, нейросетевая система диагностики тяговых двигателей и система, позволяющая прогнозировать возникновение и подавлять развитие буксования колесных пар во время движения. Приведены результаты экспериментальных исследований интеллектуальной системы поддержки принятия решений машинистом и законов оптимального управления подвижным составом, которые подтвердили достоверность предложенных решений по автоматизации процессов управления движением дизель-поезда.
Dissertation for the degree of Doctor of Technical Science on Specialty 05.13.07 – Automation of Control Processes. – National Technical University "Kharkіv Polytechnic Institute", Kharkіv, 2017. The dissertation is devoted to solving scientific and applied problems of increasing energy characteristics of traction rolling stock, traction asynchronous drive through the development and introduction of new onboard intellectual decision support system of machinist that is based on more accurate models and optimize dynamics tools, using new methods and specialized software and new technologies of information processing based on stable and plastic neural networks and new models of associative memory, which creates theoretical precondition for developing of automatic control systems of high-speed rolling stock. Developed a comprehensive diesel-train model that takes into account the principal vibrations of the rolling stock and the distribution of forces of interaction between them, as well as parallel performance of traction drive of wagons with motors that adequately reflects the processes that occur on the real object. Developed specialized software that realizes the man-machine system that automates the conversion of analytical geometric control theory in the synthesis models to the Brunovsky form. Based on the neural networks that can solve problems with multiple solutions, developed a new method of search switching functions between the variables in the form of linear models Brunovsky and variables of nonlinear models control object. Developed stable-flexible Hamming neural networks, Hebb and other networks based on Perceptron, that can recognize new information and studying during its performance and modification Hamming neural network, capable identify several solutions. Has developed structure and components of the onboard intellectual decision support system that allows the actual use of the rolling stock and when happening currently changing road conditions, system can give for machinist new control laws under which adheres to a schedule for the least cost fuel and energy resources. Conducted experimental investigations on mathematical models and real object that confirming the correctness of the proposed solutions, methods and algorithms.

Дисертація на здобуття наукового ступеня доктора технічних наук за спеціальністю 05.13.07 – автоматизація процесів керування. – Національний технічний університет "Харківський політехнічний інститут", Харків, 2017. Дисертація присвячена вирішенню науково-прикладної проблеми розробки бортової системи підтримки прийняття рішень машиністом, що створена на основі узагальнених математичних моделей та засобів оптимізації динаміки рухомих об'єктів з використанням нових методів та програмного забезпечення, а також нової технології обробки інформації на основі стабільно-пластичних нейронних мереж та нових моделей асоціативної пам'яті, яка створює теоретичну передумову розробки автоматичних систем керування рухомим складом та дозволяє поліпшити його енергетичні характеристики. Розроблено модель дизель-поїзда, що враховує основні види коливань вагонів та розподіл сил взаємодії між ними, а також паралельну роботу тягових двигунів обмоторених вагонів, що адекватно відображає процеси, які протікають на реальному об'єкті. Розроблено спеціалізоване програмне забезпечення, що реалізує людино-машинну систему, яка дозволяє автоматизувати аналітичні перетворення геометричної теорії керування при синтезі моделей у формі Бруновського. На основі нейронних мереж, що здатні вирішувати завдання з декількома рішеннями, розроблено новий метод пошуку функцій переходу між змінними нелінійних і лінійних моделей у формі Бруновського. Розроблені стабільно-пластичні нейронні мережі Хеммінга, Хебба та мережі на основі перцептрона, здатні розпізнавати нову інформацію й донавчатися в процесі функціонування, та модифікацію нейронної мережі Хеммінга, що здатна визначати декілька рішень. Розроблено структуру та складові бортової системи підтримки прийняття рішень, що дозволяє в реальних умовах експлуатації рухомого складу й поточній зміні дорожньої обстановки видавати машиністу закон керування, при якому дотримується графік руху за мінімальних витрат паливо-енергетичних ресурсів. Проведені дослідження на математичних моделях і реальному об'єкті, результати яких підтверджують правильність запропонованих рішень, методів та алгоритмів.
Dissertation for the degree of Doctor of Technical Science on Specialty 05.13.07 – Automation of Control Processes. – National Technical University "Kharkіv Polytechnic Institute", Kharkіv, 2017. The dissertation is devoted to solving scientific and applied problems of increasing energy characteristics of traction rolling stock, traction asynchronous drive through the development and introduction of new onboard intellectual decision support system of machinist that is based on more accurate models and optimize dynamics tools, using new methods and specialized software and new technologies of information processing based on stable and plastic neural networks and new models of associative memory, which creates theoretical precondition for developing of automatic control systems of high-speed rolling stock. Developed a comprehensive diesel-train model that takes into account the principal vibrations of the rolling stock and the distribution of forces of interaction between them, as well as parallel performance of traction drive of wagons with motors that adequately reflects the processes that occur on the real object. Developed specialized software that realizes the man-machine system that automates the conversion of analytical geometric control theory in the synthesis models to the Brunovsky form. Based on the neural networks that can solve problems with multiple solutions, developed a new method of search switching functions between the variables in the form of linear models Brunovsky and variables of nonlinear models control object. Developed stable-flexible Hamming neural networks, Hebb and other networks based on Perceptron, that can recognize new information and studying during its performance and modification Hamming neural network, capable identify several solutions. Has developed structure and components of the onboard intellectual decision support system that allows the actual use of the rolling stock and when happening currently changing road conditions, system can give for machinist new control laws under which adheres to a schedule for the least cost fuel and energy resources. Conducted experimental investigations on mathematical models and real object that confirming the correctness of the proposed solutions, methods and algorithms.

The components involved in an immunoassay were investigated in order to improve the detection limits of the ELISA and to make the assay adaptable to a flow injection analysis (FIA) configuration. The goal being the total automation of the ELISA procedure which is long, tedious and has high standard deviation. The antibody purification and cleavage methods were studied with special emphasis on obtaining products with highest immunological activity. The antibody-enzyme coupling reactions using homobifunctional reagents and heterobifunctional reagents were studied in order to attempt the preparation of highly characterized reagents. The fragments of IgG were coupled to polymeric supports via the hinge thiol groups to retain the maximum immunological activity. This method was found to be superior to those methods involving coupling via amino group. These reagents were used in the development of a sandwich ELISA for bovine IgG. The range of assay was in the 20-1000 femtomole range with a linear dynamic range of 2 orders of magnitude and an accuracy of 2-5%. A competitive ELISA based on the use of immobilized anti-human IgG Fab' fragments was developed. The linear dynamic range for this assay was found to be less than one order of magnitude. The detection limit was in the low picomole range with an accuracy of 2-5%. Based on the principle used in the two assays an enzyme immobilization scheme was developed for the reversible immobilization of these enzymes. Which was subsequently utilized in the determination of substrate in the picomole range in a reagent less FIA technique. The goals of this research project were realized in that the FIA system utilized in this work was capable of carrying out totally automated ELISA assays with an accuracy far surpassing the conventional plate ELISA assays.

Software testing is the process of executing a program with the intention of finding errors in the code. It is the process of exercising or evaluating a system or system component by manual automatic means to verify that it satisfies specified requirements or to identify differences between expected and actual results [4]. Software Testing should not be a distinct phase in System development but should be applicable throughout the design development and maintenance phases. ‘Software Testing is often used in association with terms verification & validation ‘Software testing is the process of executing software in a controlled manner, in order to answer the question: Does the software behave as specified. One way to ensure system‘s responsibility is to extensively test the system. Since software is a system component it requires a testing process also.
Software can be tested either manually or automatically. The two approaches are complementary: automated testing can perform a huge number of tests in short time or period, whereas manual testing uses the knowledge of the testing engineer to target testing to the parts of the system that are assumed to be more error-prone. Despite this contemporary, tools for manual and automatic testing are usually different, leading to decreased productivity and reliability of the testing process. Auto Test is a testing tool that provides a “best of both worlds” strategy: it integrates developers’ test cases into an automated process of systematic contractdriven testing. This allows it to combine the benefits of both approaches while keeping a simple interface, and to treat the two types of tests in a unified fashion: evaluation of results is the same, coverage measures are added up, and both types of tests can be saved in the same format. The objective of this paper is to discuss the Importance of Automation tool with associate to software testing techniques in software engineering. In this paper we provide introduction of software testing and describe the CASE tools. The solution of this problem leads to the new approach of software development known as software testing in the IT world. Software Test Automation is the process of automating the steps of manual test cases using an automation tool or utility to shorten the testing life cycle with respect to time.

This thesis proposes a computationally effective analytical approach to automated material handling system (AMHS) performance modeling for a simple closed loop AMHS, such as is typical in supporting a 300mm wafer fab bay. Discrete-event simulation can produce accurate assessments of the production performance, including the contribution by the AMHS. However, the corresponding simulation models are both expensive and time-consuming to construct, and require long execution times to produce statistically valid estimates. These attributes render simulation ineffective as a decision support tool in the early phase of system design, where requirements and configurations are likely to change often. We propose an alternative model that estimates the AMHS performance considering the possibility of vehicle-blocking. A probabilistic model is developed, based on a detailed description of AMHS operations, and the system is analyzed as an extended Markov chain. The model tracks the operations of all the vehicles on the closed-loop considering the possibility of vehicle-blocking. The resulting large-scale model provided reasonably accurate performance estimates; however, it presented some computational challenges. These computational challenges motivated the development of a second model that also analyzes the system as an extended Markov chain but with a much reduced state space because the model tracks the movement of a single vehicle in the system with additional assumptions on vehicle-blocking. Neither model is a conventional Markov Chain because they combine the conventional Markov Chain analysis of the AMHS operations with additional constraints on AMHS stability and vehicle-blocking that are necessary to provide a unique solution to the steady-state behavior of the AMHS. Based on the throughput capacity model, an approach is developed to approximate the expected response time of the AMHS to move requests. The expected response times are important to measure the performance of the AMHS and for estimating the required queue capacity at each pick-up station. The derivation is not straightforward and especially complicated for multi-vehicle systems. The approximation relies on the assumption that the response time is a function of the distribution of the vehicles along the tracks and the expected length of the path from every possible location to the move request location.

Thesis (Ph.D.)--City University of Hong Kong, 2009.
"Submitted to Department of Mathematics in partial fulfillment of the requirements for the degree of Doctor of Philosophy." Includes bibliographical references (leaves [214]-224)

This thesis applies a resilience lens to investigate conversions of farmland from conventional to organic status as transformations in social-ecological systems. Transformation is widely promoted in resilience literature yet there are relatively few empirical studies of transformation at multiple scales. This research addresses this distinct gap in understanding by analysing dimensions of transformations including the roles of key individuals, social-ecological innovation, and different capacities to manage dynamic change. Resilience concepts and ideas are embedded in action research practice to provide new directions and insights on transformation. These insights are the result of a process of research that engaged with the Tamar Valley Organics Group, UK, during the period 2012 to 2016. Reflective interviews, mental models interviews, and participatory scenario planning research activities facilitate past, present and future perspectives on transformation. The findings of these research methods are synthesised to elaborate a resilience perspective on transformation. Transformations are identified as intertwined fundamental shifts in understanding and management of agroecosystem fertility. These transformations emerge from processes of self-organisation and social learning that are shaped by distinct contributions from key individuals across temporal and spatial scales. Innovation builds capacities to manage uncertain dynamics of agroecosystem fertility. Signals of social-ecological innovation are identified but are considered more akin to processes of adaptive management. These findings act as the foundations for a more nuanced set of issues to emerge. Transformations involve complex cross-scale interplay between small and large changes. It is the way in which these cross-scale dynamics work with each other, and the ways in which different capacities change, that informs a more grounded understanding of transformations in social-ecological systems.

Le problème de la mécanique des fluides, concernant les écoulements décollés derrière des obstacles immobiles ou en mouvement, est traité par l’étude de deux sujets: a) recherches sur l’existence de solutions stationnaires des equations d’Euler et Navier-Stokes pour grands nombres de Reynolds, au-delà des corps caractérisés par pointes ou singularités géométriques; b) analyse du sillage non stationnaire derrière une turbine à axe vertical (VAT). L’étude de ces deux différents régimes d’écoulements, concernant le phénomène du détachement derrière corps émoussés ou profils alaires à haut angle d’incidence, a permis la mise au point de plusieurs techniques analytiques et numériques basées sur le champ de vorticité
The problem of the separated flows dynamics past obstacles at rest or moving bodies is addressed by means of the study of two topics a) investigation on the existence of some steady solutions of the Euler equations and of the Navier-Stokes equations at large Reynolds number, past bodies characterized by a cusp; b) analysis of the unsteady wake behind a Vertical Axis Turbine (VAT). The survey of such different flow regimes related to the separation phenomenon past bluff bodies or bodies at incidence allowed to devise several numerical and analytical techniques based on the evaluation of the vorticity field

Fusion energy is a potential candidate for sustain-able steady-state energy supply. However, a fully functional fusion reactor is not yet available and several remaining challenges need to be addressed before fusion becomes a reliable source. One of the remaining challenges with fusion is the plasma-induced modification of the inner wall of the tokamak, i.e. the structures surrounding hot plasma. Due to the rarity of tritium, an important element in future fusion fuel, the plasma facing component (PFC) should have as low fuel retention as possible. In this thesis, methods for controlling ion accumulation in a material sample have been developed. Using the new system, a molybdenum (42Mo) target has been implanted with deuterium (2H) and the retention has been measured with ion beam analysis. The experiment was carried out using particle accelerators at the Ångström Laboratory at Uppsala University. Following tasks were completed before the experiment took place: (a) automation of the target position regulator, (b) development of control software, and (c) calibration and testing of the system. The deuterium dose was estimated at the level of1.9·1017 atoms/cm2.The deuterium concentration in molybdenum was found to be around 28·1015 atoms/cm2. This corresponds to a retention rate of around (15±3)%.
Fusion är en potentiell kandidat för hållbar kontinuerlig energi. Tyvärr är en fullt fungerande fusionsreaktor inte tillgänglig ännu och flera utmaningar kvarstår att lösa innan det blir en tillförlitlig källa. En av dessa utmaningar är plasma- inducerad modifikation av den inre väggen, dvs. strukturen närmast det heta plasmat i en tokamak. Tritium är en viktig komponent i ett framtida fusionsbränsle och väldigt sällsynt. Därför måste mängden bränsle som fastnar i väggen minimeras. I detta arbete har metoder för jonbestrålning av ett materialprov utvecklats. Med hjälp av det nya systemet har molybden (42Mo) bestrålats med deuterium (2H) och bibehållandet av deuterium har mätts med jonstråleanalys. Experimentet utfördes med hjälp av partikelacceleratorer i Ångströmlaboratoriet vid Uppsala Universitet. Följande uppgifter utfördes innan experimentet ägde rum: (a) automatisering av provmanipulatorn, (b) utveckling av programvara för styrning och (c) kalibrering och test av systemet. I ett avslutande test uppskattades den implanterade dosen till 1, 9 · 1017 atomer/cm2. Proverna var därefter analyserade och med kärnreaktionsanalys hittades ungefär 28 · 1015 atomer/cm2. Detta motsvarar ett bibehållnade på ungefär (12 ± 3)%.
Kandidatexjobb i elektroteknik 2020, KTH, Stockholm

Thesis (MComm (Logistics))--University of Stellenbosch, 2011.
ENGLISH ABSTRACT: Mobile phone networks form an integral part of economic and social development globally. Mobile phones have become an everyday part of life and it is hard to imagine a competitive economy without the availability of mobile communications. Emerging markets benefit most from the implementation of mobile technology and growth trends are outperforming earlier predictions. The most popular and sustainable payment model used by mobile phone networks in emerging markets is the pre paid mechanism used for the distribution of airtime. This mechanism brings about unique challenges for networks in emerging markets. In this thesis the importance of the mobile phone network pre paid value channel is introduced through an analysis of pre paid revenue. A brief introduction is given to the systems and products that contribute to the functioning of the pre paid value channel. The revenue generation process is described with regards to the pre paid sector of the market and an in-depth explanation of the importance of deferred revenue is given, how it is recorded and what role it fulfils in the generation of revenue. The complexity of the network environment, both technical and operational makes the use of a business automation and support system (BSS) a necessary tool for effective execution of tasks and processes within the network environment. These systems record information from a wide spectrum of available technical network resources and use this information to automate the flow of network products. The use of such a system for the calculation of deferred revenue is suggested. Saaty‟s Analytical Hierarchy Process (AHP) algorithm and the Elimination and Choice Expressing Reality (ELECTRE) method are used to compare the newly proposed method for the calculation of deferred revenue using a BSS. Using Saaty's algorithm to estimate the effectiveness of deferred revenue as reported through the use of a BSS yields favourable results for the proposed method. This helps to bridge the gap in the poorly researched mobile telecommunications industry. ELECTRE is used to substantiate the findings of the model using AHP and meaningful tests are done to motivate correctness and accuracy of the results obtained throughout. Most importantly, the findings were shared with academic and industry experts, adding meaningful resemblance to the goals set out to achieve.
AFRIKAANSE OPSOMMING: Mobiele foon netwerke is wêreldwyd 'n onlosmaakbare deel van ekonomiese en sosiale ontwikkeling. Mobiele fone is deel van ons alledaagse lewe en dit is moeilik om 'n kompeterende ekonomie te bedink sonder die beskikbaarheid van mobiele kommunikasie. Ontluikende markte trek die meeste voordeel uit die implementering van mobiele tegnologie en groeitendense vertoon beter as wat vroeër voorspel is. Die mees gewilde en volhoubare betaalmetode wat deur mobiele foon netwerke in ontluikende markte gebruik word, is die voorafbetalingsmeganisme wat vir die verspreiding van lugtyd gebruik word. Hierdie meganisme bring unieke uitdagings vorendag in ontluikende markte. Die tesis beskryf die belangrikheid van die mobiele foon netwerk voorafbetalingswaardekanaal deur 'n analise te maak van vooruitbetalingsinkomste. 'n Kort oorsig oor die sisteme en produkte wat bydra tot die funksionering van die vooruitbetalingswaardekanaal word verskaf. 'n Beskrywing van die inkomste-genereringsproses vir die vooruitbetaling-sektor van die mark word verskaf en 'n in-diepte verduideliking van die belangrikheid van uitgestelde inkomste, hoe dit vasgelê word en watter rol dit speel in die generering van inkomste word verduidelik. Die kompleksiteit van die netwerkomgewing, beide op 'n tegniese en operasionele vlak, maak die gebruik van 'n besigheidsoutomatisering en ondersteuningsisteem (BSS) 'n noodsaaklike instrument vir die effektiewe uitvoer van take en prosesse binne die netwerkomgewing. Hierdie sisteme stoor informasie vanuit 'n wye spektrum van beskikbare tegniese netwerkbronne en gebruik die inligting om die vloei van netwerkprodukte te outomatiseer. Die gebruik van sodanige sisteem word voorgestel vir die berekening van uitgestelde inkomste. Saaty se Analitiese Hierargie Proses-algoritme (AHP) en die Eliminasie en Realiteit-Deur-Keuse Uitdrukkingsmetode (ELECTRE) word gebruik vir die vergelyking van die voorgestelde metode vir die berekening van uitgestelde inkomste deur middel van 'n BSS. Die gebruik van Saaty se algoritme om die effektiwiteit te bereken van uitgestelde inkomste soos gemeld deur die gebruik van 'n BSS, lewer gunstige resultate vir die voorgestelde metode. Dit vul 'n leemte in die swak nagevorsde mobiele telekommunikasie industrie. ELECTRE word gebruik om die bevindinge van die AHP-model te substansieer en betekenisvolle toetse word deurentyd gedoen om die korrektheid en akkuraatheid van die resultate te motiveer. Die belangrikste aspek van die navorsing is dat die bevindinge gedeel is met kenners binne die akademie sowel as die industrie, wat nou aansluit by die doelstellings wat aanvanklik beoog is.

In this paper, based on a clustering process of organizations regarding levels of Machine Learning maturity–the ability to deliver an end-to-end automation process, while defending responsible ML capabilities–,it is proposed a new framework to guide consultants in their role to deliver the most suitable recommendations for any corporate client being served. This includes a method to evaluate in which cluster a given company fits, which in turn associates to a set of rules and priorities to reach a higher level of ML maturity.

This diploma thesis aims to describe the transformations in selected ethical aspects of journalism with the advent of artificial intelligence, i.e. in other words to present a list of areas where ethical problems can occur in journalism when media organisations begin to apply artificial intelligence systems. It does so with the help of a synthesis of information from foreign studies that are already dealing with this issue. At the same time, however, it also offers the results of semi-structured interviews with three Czech experts in artificial intelligence, which list other possible changes in ethical aspects in journalism using artificial intelligence. Through synthesis and interviews, we answer questions about which aspects they are and how they change, and the results show that the range of things that will need to be paid attention to when involving artificial intelligence in journalism is varied. Some problems are based on existing ones, some are completely new and unprecedented. The results outline a theoretical framework that can serve as a basis for research into various case studies of this issue.

The main objective of the emerging field of metabolomics is the analysis of all small molecule metabolites present in a particular living system in order to provide better understanding of dynamic processes occurring in living systems. This type of studies is of interest in various fields including systems biology, medicine and drug discovery. The main requirements for sample preparation methods used in global metabolomic studies are lack of selectivity, incorporation of a metabolism quenching step and good reproducibility. The efficiency of metabolism quenching and stability of analytes in selected biofluid or tissue dictate how accurately the analytical results represent true metabolome composition at the time of sampling. However, complete quenching of metabolism is not easily accomplished, so sample preparation can significantly affect metabolome's composition and the quality of acquired metabolomics data. In this research, the feasibility of the use of solid-phase microextraction (SPME) in direct extraction mode for global metabolomic studies of biological fluids based on liquid chromatography-mass spectrometry (LC-MS) was investigated for the first time. Initial research presented in this thesis focused on resolving several outstanding issues regarding the use of SPME for the analysis of biological fluids. SPME was not simultaneously capable to provide high-sample throughput and high degree of automation when coupled to LC-MS. This was successfully addressed through the development and evaluation of a new robotic station based on a 96-well plate format and an array of 96 SPME fibres. The parallel format of extraction and desorption allowed increased sample throughput of >1000 samples/day which represents the highest throughput of any SPME technique to date. This exceeds sample throughput requirements for a typical metabolomics study whereby ~100 samples/day are processed. SPME can also be used for direct in vivo sampling of flowing blood of an animal without the need to isolate a defined sample volume. This format of SPME is particularly attractive for metabolomic studies as it decreases the overall number of steps and also eliminates the need for metabolism quenching step because only small molecular weight species are extracted by the device, whereas large biological macromolecules such as proteins are not extracted by the coating. In current work, in vivo SPME sampling was successfully applied for sampling of mice for the first time. The proposed sampling procedure was fully validated against traditional terminal and serial sampling approaches for a pharmacokinetic study of carbamazepine and its metabolite. Excellent agreement of pharmacokinetic parameters such as systemic clearance, steady-state volume of distribution and terminal half-life was found for all three methods, with no statistically significant differences (p>0.05). The performance of new prototype commercial SPME devices based on hypodermic needle was also evaluated within the context of the study. The availability of such single-use devices with excellent inter-fibre reproducibility (<10% RSD) presents an important step forward in order to gain wider acceptance of in vivo SPME sampling. Finally, existing SPME coatings were not suitable for the simultaneous direct extraction of both hydrophilic and hydrophobic species, which is one of the requirements for a successful global metabolomics study. To address this issue, a systematic study of 40 types of commercially available sorbents was carried out using a metabolite standard test mixture spanning a wide molecular weight (80-777 Da) and polarity range (log P range of -5 to 7.4). The best performance for balanced extraction of species of varying polarity was achieved by (i) mixed-mode coating containing octadecyl or octyl group and benzenesulfonic acid ion exchange group, (ii) polar-enhanced polystyrene-divinylbenzene polymeric coatings and (iii) phenylboronic acid coatings. The second aspect of the research focused on the evaluation of SPME for a global metabolomics study of human plasma using two complementary LC-MS methods developed on benchtop Orbitrap MS system: reverse-phase method using pentafluorophenyl LC stationary phase and HILIC method using underivatized silica stationary phase. The parameters influencing overall method sensitivity such as voltages, mass ranges and ion inject times into C-trap were optimized to ensure best instrument performance for global metabolomic studies. Orbitrap system provided a powerful platform for metabolomics because of its high resolution and mass accuracy, thus helping to distinguish between metabolites with same nominal mass. The acquisition speed of the instrument at the highest resolution setting was insufficient for use with ultrahigh performance liquid chromatography (UHPLC), so all methods were developed using conventional LC. However, overall metabolite coverage achieved in current study compared well or even exceeded metabolite coverage reported in literature on different LC-MS or UHPLC-MS platforms including time-of-flight, quadrupole time-of-flight and hybrid Orbitrap instruments. The performance of SPME was fully compared versus traditional methods for global metabolomics (plasma protein precipitation and ultrafiltration). The main findings of this systematic study show that SPME provides improved coverage of hydrophobic metabolites versus ultrafiltration and reduces ionization suppression effects observed with both plasma protein precipitation and ultrafiltration methods. Using SPME, <5% and <20% of peaks showed significant matrix effects in reverse phase and HILIC methods, respectively and the observed effects were mostly correlated to elution within retention time window of anticoagulant for the majority of metabolites showing this effect. This improves overall quality of collected metabolomics data and can also improve metabolite coverage. For example, the highest number of metabolite features (3320 features) was observed using SPME in combination with negative ESI reverse-phase LC method, while in positive ESI mode plasma protein precipitation with methanol/ethanol mixture provided the most comprehensive metabolite coverage (3245 features versus 1821 features observed for SPME). Method precision of SPME method was excellent as evaluated using median RSD (11-18% RSD) of all metabolites detected. A proof-of-concept in vivo SPME study was also performed on mice to study the effects of carbamazepine administration and shows that SPME can be used as successful sample preparation method for global metabolomic studies in combination with unsupervised statistical data analysis techniques. This study highlights important advantages of in vivo sampling approaches including the ability to capture short-lived and/or unstable metabolites, to achieve truer representation of the metabolome at the time of sampling than achievable by blood withdrawal methods and the ability to use smaller animal cohorts while obtaining highly-relevant data sets. The experimental results provide new and useful insight into the effects of different sample preparation methods on the collected metabolomics data, and establish both in vitro and in vivo SPME as a new tool for global LC-MS metabolomics analysis for the first time.

Целью исследования является приспособление учетно- аналитических данных к требованиям автоматизированной интеллектуальной системе управления предприятием в целях расширения и ускорения аналитических возможностей на предприятии. Задачи: интегрировать учетно-аналитические данные в систему управления предприятием; адаптировать корпоративные учетно-аналитические данные к требованиям автоматизированной интеллектуальной системы управления предприятием; разработать порядок анализа корпоративных учетно-аналитических данных для целей реализации автоматизированной интеллектуальной системы управления предприятия; разработать принципиальную схему автоматизированной интеллектуальной системы управления предприятием; выявить критерий применение автоматизированной интеллектуальной системы управления предприятием для целей повышения эффективности выбора поставщиков (подрядчиков); сформулировать критерий применение автоматизированной интеллектуальной системы управления предприятием для целей распределения премиального фонда заработной платы. Научная новизна исследования: 1. Адаптированы корпоративные учетно-аналитические данные к требованиям автоматизированной интеллектуальной системы управления предприятием. 2. Сформирован порядок анализа корпоративных учетно-аналитических данных для целей реализации автоматизированной интеллектуальной системы управления предприятия.
The purpose of the study is to adapt the accounting and analytical data to the requirements of an automated intellectual enterprise management system in order to expand and accelerate the analytical capabilities in the enterprise. Tasks: to integrate the accounting and analytical data in the enterprise management system; adapt corporate accounting and analytical data to the requirements of an automated intellectual enterprise management system; develop a procedure for analyzing corporate accounting and analytical data for the implementation of an automated intellectual enterprise management system; to develop a schematic diagram of an automated intellectual enterprise management system; identify the criteria for the application of an automated intellectual enterprise management system for the purpose of increasing the efficiency of selecting suppliers (contractors); to formulate a criterion for the application of an automated intellectual enterprise management system for the purpose of distributing a bonus payroll. Scientific novelty of the study: 1. Adapt the corporate accounting and analytical data to the requirements of an automated intellectual enterprise management system. 3. The procedure for analyzing corporate accounting and analytical data for the purposes of implementing an automated intellectual enterprise management system.