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Processing and Visualization of Mass Spectrums
Beneš, Ondřej ; Bendl, Jaroslav (referee) ; Martínek, Tomáš (advisor)
One of new techniques in the field of analytical chemistry, which has more and more practical use, is mass spectrometry imaging. With its ability to record representation of substances in samples during the tissue analyze arise problem with a lot of output data which needs to be handled programmatically. The goal of this work is to create an software for processing and visualization data of new standard imzML. As a part of the work, the field of mass spectrometry, primarily MALDI TOF mass spectrometry, is briefly introduced. There are also introduced some methods for mass spectrometry data preprocessing. The work also contains a summary of current state of available software for processing and visualization of mass spectrometry data. With requests from cooperating laboratory a novel software is designed and implemented, which besides the visualization itself, can preprocess the data for example data smoothing with Savitzky-Golay method, internal calibration or peak detection with continuous wavelet transformation. The software was successfully tested on real data sets.
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Study of the occurrence of colistin in soil
Veldamonová, Aneta ; Zlámalová Gargošová, Helena (referee) ; Mravcová, Ludmila (advisor)
Colistin is a polypeptide antibiotic used as a "last resort" effective against Gram-negative bacteria. However, increase in its consumption in veterinary medicine in the last 30 years has led to the development of bacterial resistance even to colistin. The application of slurry to soil containing unmetabolized colistin and resistant bacteria poses a risk, because the resistance of bacteria to colistin can be further developed and spread to other components of the environment. Therefore, this work was focused on the creation and optimization of extraction and analytical methods for soil samples containing colistin. Colistin was detected by liquid chromatography in connection with mass spectrometry (HPLC/MS and UPLC/MS/MS). Many extraction solutions have been tested in connection with ultrasonic extraction and purification on various SPE columns, yet colistin has not been successfully extracted from the soil. Colistin was successfully detected only in the slurry extract. The reason why colistin was not detected in soil extracts could be the sorption of colistin on soil organic matter or the formation of complexes of colistin with humic substances.
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Study of plasma species by mass spectroscopy
Bureš, Michal ; Čáslavský, Josef (referee) ; Čech, Vladimír (advisor)
Plasma polymer films of tetravinylsilane and mixture of tetravinylsilane and oxygen gas were deposited on silicon wafers. Oxygen gas was mixed in tetravinylsilane to improve the compatibility of thin films on glass substrates. Mass spectroscopy was employed during the cleaning of the deposition chamber to check residual gases and process gases, during plasma deposition to monitor neutral plasma species and to follow plasma stability.
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The use of GC/MS for the analysis of drugs
Sýkora, Richard ; Opatřilová, Radka (referee) ; Vávrová, Milada (advisor)
This diploma thesis is based on the current issue of the presence of pharmaceuticals in various components of the environment. Concerning the contamination by residues of pharmaceuticals the most affected environment is the aquatic environment where these substances leaks especially from wastewater treatment plants, which eliminate them during the cleaning process only partially. This work is focused on the selected group of pharmaceuticals, non-steroidal anti-inflammatory drugs (salicylic acid, ibuprofen, caffeine, naproxen, ketoprofen, diclofenac) in waste water. For analysis purposes two types of sampling were used and compared: the conventional spot sampling of wastewater and the sampling using passive samplers POCIS. The sampling took place at the inflow and outflow of the wastewater treatment plant in Brno Modřice. The solid phase extraction (SPE) using Oasis HLB columns was used as the extraction method. Extracted sample was derivatized then. Derivatization agents were: MSTFA (N-methyl-N-(trimethylsilyl)trifluoroacetamid) and BSTFA (N, O-bis(trimethylsilyl) trifluoroacetamid). The final analysis was performed using gas chromatography with mass spectrometric detection Time-of-Flight (GC/TOF-MS).
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Importance and impact of phthalates during peritoneal dialysis and current possibilities of their replacement
Nohelová, Gabriela ; Zlámalová Gargošová, Helena (referee) ; Čáslavský, Josef (advisor)
This thesis deals with the importance and influence of phthalates in peritoneal dialysis (PD) and the current possibilities of their replacement. The information about phthalates – esters of phthalic acid - was completed with focus on the most commonly used plasticizer in medical material, bis(2-ethylhexyl) phthalate (DEHP) and its effects on the human organism and the environment. The possibilities of substitution of PVC in peritoneal dialysis were searched and their advantages and disadvantages were evaluated. As the evidence of phthalates absorbed by the human body in carrying out peritoneal dialysis selected studies performed in Germany and in our country, dealing with this issue, were used. High performance liquid chromatography (HPLC) with UV detection at 224 nm or gas chromatography - mass spectrometry (GC / MS) was used here for the determination of phthalates in the blood and dialysate in peritoneal dialysis. Extraction of sample with the suitable solvent and purification of the extract predates the actual analytical determination of sample.
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Study of selected antibiotics sorption on polyhydroxybutyrate
Amrichová, Anna ; Doležalová Weissmannová, Helena (referee) ; Řezáčová, Veronika (advisor)
The bachelor thesis deals with the issue of sorption of antibiotics on microplastics. Antibiotics and microplastics are now a highly studied topic, due to the positive and negative properties. Antibiotics with groups of sulfonamides and quinolones were selected for the experiment. From sulfonamides, sulfamethoxazole and trimethoprim were selected, and from the quinolones, enrofloxacin and ciprofloxacin, which have already been the impetus for some microplastic studies. Biodegradable polyhydroxybutyrate was used as the microplastic. Two experiments were performed in the laboratory. The first aimed to monitor the time dependence of antibiotic sorption on polyhydroxybutyrate, the second the concentration. The concentration dependence was subsequently evaluated using the Freundlich and Langmuir isotherms. The method of liquid chromatography with mass spectrometry was used for analyzes.
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Determination of polar pesticides in waste and surface waters
Borůvková, Tereza ; Vávrová, Milada (referee) ; Čáslavský, Josef (advisor)
This work is focused on the determination of polar pesticides in surface and waste waters. In this study Mecoprop-P, MCPA, Dichlorprop-P, 2,4-D and MCPBA in differently loaded surface waters and communal waters from sewage treatment plants were analyzed. These herbicides are included in the group identified as environmental quality standards. Some of herbicides (2,4-D and MCPA) were selected because their consumption in the Czech Republic exceeds 30 tons a year. Samples were collected prom three rivers near town of Jaroměř (Elbe, Úpa and Metuje Rivers), from one river near the town of Brno (Svratka River) and from inflow and outflow of two sewage treatment plants (WWTP Jaroměř, WWTP Brno – Modřice). Particular rivers were chosen for monitoring due to the probability of occurrence of herbicides, because they flow through agriculturally cultivated areas. Solid phase extraction (SPE) was used for the isolation of target compounds and their concentration. Gas chromatography with tandem mass spectrometry (GC/MS/MS) was used for the determination of target analytes in surface and waste waters. Selected herbicides were detected in all collected samples.
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Monitoring of the plasmachemical process using mass spectrometry
Ondra, Zdeněk ; Čáslavský, Josef (referee) ; Čech, Vladimír (advisor)
This bachelor thesis deals with plasma-enhanced chemical vapor deposition (PECVD) and the use of mass spectrometry to monitor the processes in plasma during the deposition of thin film. Tetravinylsilane plasma was used in the process of forming a thin film on the silicon wafer. The background of the spectrometer, the residual gases in the plasma reactor at basic pressure were characterized and the plasma polymerization process was monitored. This process was monitored with increasing effective power (2-150 W). The obtained mass spectra were assigned and described in detail. The plasma species that showed the greatest change were then characterized as a function of time during film deposition.
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Determination of toxic elements in wines
Hajdučková, Iva ; Vespalcová, Milena (referee) ; Diviš, Pavel (advisor)
The aim of this study was to determine the occurrence of selected toxic elements in wine. The theoretical part described technology of wine production and selected toxic elements (cadmium, lead, copper, zinc, nickel and chromium) in the terms of their impact on wine quality and their effects on the human organism. It provides an overview of instrumental analytical methods, which can be used for the analysis of toxic metals. In the experimental part inductively coupled mass spektrometry technique was used for the analysis of wine samples. The measured values are statistically processed and compared with current legislation.
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Application of separation methods with mass spectrometric detection for the study of degradation products of new polymeric materials
Čumová, Martina ; Vávrová, Milada (referee) ; Čáslavský, Josef (advisor)
Synthetic polymer materials have been a part of human life since the 20th century. A variety of their use had resulted in a growing demand for their mass production, which then led to their increasing accumulation at waste dumps. After their deposition, these materials are exposed to many environmental factors causing their decomposition and subsequent release of the degradation products into the environment. This thesis is focused on the analysis of the photodegradation products from synthetic polymer materials and particularly polyurethane foams modified with the biodegradable fillers. One dimensional GC/MS and two dimensional comprehensive gas chromatography with time-of-flight mass spectrometry (GCxGC/TOF-MS ) were used for the measurements. The most of photodegradation products of polyurethane foams are injurious to health and environment.
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