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Automatic classification of geological samples using Laser-Induced Breakdown Spectroscopy and machine learning
Stříbrná, Klára ; Hrdlička, Aleš (referee) ; Prochazka, David (advisor)
This thesis focuses on creating a database of LIBS spectra from geological samples. These spectra are then used to train a Convolutional Neural Network (CNN)-based classification model for the automatic classification of the samples. The trained models are validated on unknown data and compared in terms of accuracy and training time. The aim of the thesis is to evaluate the potential of combining LIBS with Machine Learning for the automatic classification of geological samples. Current methods are often time-consuming and expensive. LIBS allows for fast chemical mapping and, compared to other methods of chemical analysis used in geology, is relatively inexpensive. Additionally, LIBS can detect light elements (such as Li and Be) that are undetectable by other methods.
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Electric arc generator and its plasma analysis
Koreň, Michal ; Kloc, Petr (referee) ; Šimek, David (advisor)
The bachelor thesis deals with the design of a plasma generation device and spectroscopic analysis of the electric arc. The thesis contains a theoretical and a practical part. In the first part, the theoretical issues of electric arc and plasma are explained. Their origin, behaviour, effect on the surroundings and key properties. The different types of spectroscopic methods that can be used for measurements are described. In the practical part, a device that generates an electric arc has been designed. Using the selected method, the key properties of the electric arc were determined. The advantages and disadvantages of the particular method used for the analysis are justified. Using the measured values, the materials present in the spectrum were identified and the plasma temperature of the electric arc generated on the copper electrodes at different distances and different times was calculated. Finally, the proposed plasma generator is critically evaluated, its possible improvements and its use for future teaching purposes are discussed
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Use of advanced fluorescence methods in the study of aggregation
Uhrínová, Alžbeta ; Enev, Vojtěch (referee) ; Venerová, Tereza (advisor)
The diploma thesis deals with the use of advanced fluorescence techniques in the study of aggregation of selected aggregation models (casein and sodium dodecyl sulfate). At the beginning of the research, fluorescent probes Atto 488 and Rhodamine 6G (RH6G) were characterized using a spectrofluorometry, UV-VIS spectrometry, time-resolved fluorescence, and fluorescence correlation spectroscopy (FCS). Aggregation models with the addition of fluorescent probes were characterized using the same advanced fluorescence techniques. The interaction between the fluorescent probe Atto 488 and the aggregation models was not confirmed. The excitation maximum of Atto 488 was at 500 nm and the emission maximum at 520 nm. The lifetime of the fluorescent probe Atto 488 was from 4,20 to 4,82 ns and the hydrodynamic radius was determined to 0,6 nm. Rhodamine 6G had an excitation maximum at 525 nm and an emission maximum at 555 nm. The lifetime of the fluorescent probe RH6G was from 3,99 to 5,27 ns. The intensity of RH6G was found to decrease upon addition of a higher concentration of casein, resulting in quenching. The hydrodynamic radius of the RH6G probe was determined to 0,6 nm. With the addition of casein using the maximum entropy method (MEM) evaluation was from 0,5 to 534 nm. Stable SDS micelles had a hydrodynamic radius by MEM evaluation of 2,4 nm.
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Implementation of a Multipurpose Measurement System for (Sub)Terahertz Electron Spin Resonance Spectroscopy
Šedivý, Matúš ; Malik, Aamir Saeed (referee) ; Epel, Boris (referee) ; Vrba, Radimír (advisor)
Spektroskopie elektronové spinové rezonance (také nazývaná elektronová paramagnetická rezonance nebo jen EPR) zahrnuje metody, které zkoumají hmotu prostřednictvím nepárových elektronů. Jednou z progresivních metod EPR je rychlé skenování, které umožňuje pozorovat kinetiku chemických reakcí. Kromě toho nedávný vývoj vysokofrekvenčních součástkách rozšířil použití vysokofrekvenční EPR (HFEPR), které využívají sub-terahertzové až terahertzové vlny. Tato práce se zabývá propojením obou cest do HFEPR spektrometru s rychlým skenováním frekvencí (FRaScan), který byl nedávno vyvinut na CEITEC VUT. Na začátku je stručně uvedena základní teorie k EPR, následovaný přehledem přístrojového vybavení pro HFEPR. V praktické části je popsáno technické řešení spektrometru. Důraz je kladen na implementaci softwaru, pomocí kterého je spektrometr ovládán a měření jsou automatizována. Následně jsou ukázány příklady z měření pevných látek, konkrétně karbidu křemíku dopovaného vanadem (SiC:V), ftalocyaninu líthia (LiPc) a krystalu 1,3-bisdifenylen-2-fenylallylu (BDPA). Příklady demonstrují schopnosti spektrometru získat multifrekvenční vlnově spojitá EPR spektra a frekvenčně rozmítaná spektra v závislosti na teplotě a orientaci vzorku, a taky spektra pomocí rychlého skenování frekvencí
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Optimization of the experimental NQR spectrometer
Segiňák, Ján ; Král, Bohumil (referee) ; Steinbauer, Miloslav (advisor)
The thesis deals with the NQR spectroscopy, which is one of the modern non-destructive measurement and diagnostic methods for the characterization of various materials. It is using a quadrupole moment - a property of atomic nuclei of certain isotopes. A method of nuclear quadrupole resonance (NQR) is in principle very similar to nuclear magnetic resonance (NMR). Thesis in the theoretical part analyse the principles of NMR and NQR, describes the possible use of this method to detect for example explosives, drugs, and other chemicals. In the following chapters are analysed the key parameters of NQR spectrometer and the principle of the chosen measurement method. The practical part deals with the individual components of NQR spectrometer, the design of possible improvements and programming of the measuring sequence. In the final chapter are processed the measurements of the submitted samples.
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Automatic sample tilt compensation for chemical mapping by LIBS
Stříbrná, Klára ; Pořízka, Pavel (referee) ; Prochazka, David (advisor)
This thesis deals with designing an algorithm for slope compensation of a sample examined using the LIBS (Laser-induced breakdown spectroscopy) method. It mainly fucuses on the purpose of elemental mapping. The sample slope noticeably affects the result quality and therefore a demand for a simple and inexpensive solution to this problem appeared that would also be applicable for commercial uses of LIBS.
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High frequency electron spin resonance spectroscopy
Hrubý, Jakub ; Perfetti, Mauro (referee) ; ShangDa, Jiang (referee) ; Neugebauer, Petr (advisor)
Elektronová spinová rezonance (ESR) je neinvazivní spektroskopická technika založená na magnetické rezonanci. Používá se v mnoha vědních oborech jako biologie, chemie a fyzika pro zkoumání systémů s nepárovými elektrony. Tato dizertační práce se věnuje spektroskopii vysokofrekvenční rezonance spinů elektronů (HF-ESR) a jejímu použití na paramagnetické koordinační sloučeniny. V první části je představen teoretický základ s rešerší literatury v této oblasti a jsou představeny aplikace HF-ESR. Dále jsou představeny metody použité ke studování těchto systémů. Zde jsou popsány doplňující metody (XPS, RS, UV-VIS, AFM, SEM) pro zkoumání vzorků a je představen návrh nové sublimační komory vysokého vakua, která byla sestavena pro tvorbu tenkých vrstech koordinačních sloučenin na površích. Následují výsledky dosažené pomocí HF-ESR na molekulárních kvantových bitech [Cu(dbm)2], jednomolekulárních magnetech [CoX2(dppf)], [Co(4MeO-L)2Cl2] a je nastíněna vize bolometrů na bázi grafenu pro detekci této třídy sloučenin. Výsledky jsou diskutovány a jejich implikace jsou shrnuty v závěru. Reference a autorské výstupy pak uzavírají celou tuto práci.
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DESIGN OF FIBER-OPTIC BIOSENSOR WITH NEAR-INFRARED SPECTRAL ANALYSIS
Křepelka, Pavel ; Jakubec,, Martin (referee) ; Skládal, Petr (referee) ; Mikulka, Jan (advisor)
This thesis deals with a measurement and interpretation of NIR spectra of bacterial cells and design of biosensor using this analytical technique. In the first chapter, there is introduction of current state of knowledge in the field of NIR spectroscopy in microbiology and technology of fiber optic biosensors. The summary of this chapter shows that NIR is a suitable technique for direct molecular analysis of bacteria, but it suffers from low sensitivity and insufficient interpretation of bacterial spectra. In the next part of the thesis, there is a theoretical background of spectral analysis techniques and technology of fiber optic sensors. In the practical part of this work, there is suggested the elimination of disadvantages of NIR spectroscopy in microbiology by a series of experiments used for interpretation of NIR spectra of bacteria and design of fiber optic sensor to increase sensitivity of this technique. In this work, spectral regions important for the identification of bacterial strains were determined and partially interpreted and the sensor for bacterial analysis capable of classifying strains based on 105 captured cells was designed. Therefore, the objectives of this work were fulfilled.
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Numerical optimization of absorption of mid-infrared plasmonic structures
Kulič, Martin ; Křápek, Vlastimil (referee) ; Kvapil, Michal (advisor)
Plasmonic nanostructures have a long and rich history in spectroscopy and sensing. First, we look at the history and applications of plasmonic structures and we discuss the parameters that influence the enhancement of various methods. Then the influence of plasmonic nanostructures on energy absorption in a thin layer of silicon oxide, silicon nitride and silicon-rich oxynitride of varying thickness is probed using Lumerical FDTD Solutions software. The last part of this thesis focuses on numerical demonstration of application of plasmonic antennas in spectroscopy.
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Optimization of thin films of metal oxide materials
Vítek, Jiří ; Šimonová, Lucie (referee) ; Šubarda, Jiří (advisor)
This thesis is focused on the description of the method of reactive sputtering of thin films. Currently, there are many ways how to create thin films and there are many applications of thin films in various industrial sectors. In this paper at the first are listed the issue of thin films, followed by an overview of the deposition techniques and of the chemical analysis of deposited thin films. It also describes the four-point measurement method of sheet resistance, mechanical test of adhesion and optical properties. At the end of the theoretical part are described the material composition of the deposited films. The goal of the practical part is to optimize the deposition process of the mixed layer of indium tin oxide (In2O3: SnO2) and contribute to the overall understanding of the influence of annealing on the layer. There were created six series of samples with that applied layers. First, the work focused on examining of the influence of annealing on the throughput in the whole measuring range, and then comparing the series due to the transmittance in the visible light spectrum. Furthermore were compared the value of sheet resistance of unannealed and subsequently annealed samples.
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