Uma fase polimérica inédita de polidimetilsiloxano/carvão ativado (PDMS-ACB) é proposta como fase extratora para extração por sorção em barras de agitação (SBSE). A barra de PDMS-ACB foi desenvolvida no laboratório usando um molde de teflon simples, demonstrando estabilidade e resistência aos solventes orgânicos. Utilizando uma única barra de PDMS-ACB mais de 150 extrações foram realizadas sem qualquer dano. A barra de SBSE contém aproximadamente 100 µL de revestimento polimérico, 2,36 mm de diâmetro e 2,2 cm de comprimento. A barra PDMS-ACB foi aplicada na extração de seis pesticidas (ametrina, atrazina, bifentrina, carbofurano, metribuzim e tebutiurom), com propriedades predominantemente polares, comumente aplicados em plantações de cana-de-açúcar. A barra PDMS-ACB foi utilizada na determinação de pesticidas em garapa através de cromatografia gasosa hifenada à espectrometria de massa (GC-MS). O planejamento experimental foi empregado na etapa de otimização da extração SBSE, um planejamento fatorial fracionado avaliou a influência dos principais parâmetros envolvidos. Posteriormente, o planejamento composto central (CCD) com conformação estrela foi explorado para otimizar os fatores significativos na extração. Apenas 200 µL de acetato de etila foram utilizados como solvente na dessorção líquida (LD). Para os compostos avaliados, o método apresentou limite de quantificação (LOQ) no intervalo de 0,5 - 40 µg L-1, as recuperações variaram entre 0,18 - 49,50 % e a precisão intra-dia variou de 0,072 - 8,40 %. Concluída a etapa de validação, o método foi aplicado em amostras reais de garapa disponíveis comercialmente em São Carlos-SP. / A novel polydimethylsiloxane/activated carbon (PDMS-ACB) is proposed as new polymeric phases for stir bar sorptive extraction (SBSE). The PDMS-ACB was developed in lab using simple teflon\'s mold, demonstrating remarkable stability and resistance to organic solvents, over 150 extractions without any damage. SBSE bar contained 100 µL of polymeric coating, a diameter of 2.36 mm and a length of 2.2 cm. It was applied to the determination of pesticides (ametryn, atrazine, bifenthrin, carbofuran, metribuzine and tebuthiuron) having predominantly polar properties, applied in sugarcane crops. PDMS-ACB was employed in the determination of pesticides in sugarcane juice using gas chromatography coupled to mass spectrometry (GC-MS). Experimental design was employed in the optimization step, a fractional factorial evaluated the main parameters involved in the extraction procedure. Afterwards, central composite design (CCD) was exploited to optimize the significant factors on the extraction. About 200 µL of ethyl acetate were employed as solvent in the liquid desorption (LD). The method presented limit of quantification (LOQ) from 0.5 to 40 µg L-1, recoveries varied 0.18 - 49.50% and precision intra-day 0.072 - 8.40%. Hence, the method was applied to the analysis of real sugarcane juice samples commercially available in São Carlos-SP.

Brazil is among the ten largest cultivated shrimp producers in the world, with the northeast being the largest producer of shrimp cultivated in the country. These regions of cultivation may undergo strong anthropic stress due contamination by all sort of compounds, including the polycyclic aromatic hydrocarbons (PAH). These compounds have been the source of several studies because they are considered mutagenic and carcinogenic. The objective of this work is to develop an analytical method based on the matrix solid phase dispersion (MSPD) and gas chromatography coupled to mass spectrometry for determination of 16 PAH in shrimp. The optimal working conditions were 0.5 g of the sample; 0.5 g of C18; 1.5 g of alumina; 150 seconds of homogenization and 8 mL of acetonitrile as the elution solvent. These last three variables were established through a factorial design of 23 with triplicate at the central point plus six axial points, evaluating them by the methodology of response surface analysis. The validation of the analytical method presented linearity in the range of 0.9915 to 0.999 and sensitivity in the concentration range of 5 to 100 ng g -1; selectivity based on matrix effect, accuracy and precision, with recovery values between 70 - 104% coefficients of variation lower than 13%, in the three levels of fortification (10, 25 and 50 ng g -1); (dry weight) limits of 0.7 to 5.0 ng g -1 and 1 to 5 ng g -1 respectively, the robustness was evaluated through the contour charts, which indicated that the method can be considered robust. This method was applied in four samples (A, B, C and D), with HPA predominating from 2 to 4 rings, sample A being the one with the highest concentration (280 ng g-1 for total PAH). In the three samples (A, B and C) benzo [a] anthracene have reached concentrations of 21, 18 and 14 ng g-1 respectively, which is considered probable carcinogenic to humans. The method was considered efficient in the extraction of PAH, when compared to the methods reported in the literature. It integrates the process of extraction and cleaning in a single and economical method and the consumption of materials used during the process is minimized. / O Brasil está entre os dez maiores produtores de camarão do mundo, sendo a região nordeste a maior produtora de camarão cultivado no país. As regiões de cultivo estão sob forte estresse ambiental, acarretando contaminação por vários compostos, incluindo os hidrocarbonetos policíclicos aromáticos (HPA). Estes compostos têm sido fonte de diversos estudos, por apresentarem propriedades mutagênicas e carcinogênicas. Diante do exposto, este trabalho objetiva desenvolver um método analítico baseado na técnica de dispersão da matriz em fase sólida (MSPD) e cromatografia gasosa acoplada à espectrometria de massas, para determinação de 16 hidrocarbonetos policíclicos aromáticos (HPA) em camarão. As condições ótimas de trabalho foram 0,5 g da amostra; 0,5 g de C18; 1,5 g de alumina; 150 segundos de homogeneização e 8 mL de acetonitrila como solvente de eluição. Estas três últimas variáveis estabelecidas através de um planejamento fatorial 23 com triplicata no ponto central mais seis pontos axiais, avaliando-as pela metodologia de análise de superfície de resposta. A validação do método analítico apresentou linearidade na faixa de 0,9915 a 0,999 e sensibilidade no intervalo de concentração de 5 a 100 ng g-1; seletividade com base no efeito de matriz, exatidão e precisão, com valores de recuperação entre 70 - 104% coeficientes de variação inferiores a 13%, nos três níveis de fortificação (10, 25 e 50 ng g-1); limites de detecção e quantificação (peso seco) de 0,7 a 5,0 ng g-1 e 1 a 5 ng g-1 respectivamente; robustez foi avaliada através dos gráficos de contorno, o qual indicou que o método pode ser considerado robusto. Este método foi aplicado em quatro amostras (A, B, C e D), com predominância dos HPA de 2 a 4 anéis, sendo a amostra A com a maior concentração total de HPA, 280 ng g-1. Nas amostras A, B, C foram encontrados benzo[a]antraceno 21; 18 e 14 ng g-1, respectivamente, este que é considerado provável cancerígeno ao homem. O método pode ser considerado eficiente na extração de HAP, quando comparado aos métodos relatados na literatura. Integra o processo de extração e limpeza em uma única etapa e econômico, pois o consumo de materiais e minimizado. / São Cristóvão, SE

O Brasil apresenta grande potencial para a exploração da apicultura, dado ao seu vasto território e flora diversificada, o que permite diferentes variedades de méis com propriedades únicas. O estado do Paraná é um dos maiores produtores de méis do país e o investimento em produção que atenda aos mercados mais exigentes estimulou a produção do mel orgânico. O conhecimento desde a antiguidade sobre os efeitos benéficos à saúde pelo mel vem estimulando a pesquisa deste alimento nobre. Assim, este trabalho teve por objetivo estudar méis orgânicos brasileiros certificados (MO) para a caracterização do perfil fenólico, volátil, além da avaliação da capacidade de sequestro das espécies reativas de oxigênio e nitrogênio. Os méis foram coletados nos apiários de apicultores com certificação orgânica de dois municípios do sul do Paraná, General Carneiro e Turvo-PR. Nos ensaios foram utilizados extratos fenólicos dos méis, obtidos por meio da utilização da resina Amberlite® XAD®2, bem como méis brutos in natura. Os extratos apresentaram conteúdo de compostos fenólicos significativo, sendo o melato (MO5), de General Carneiro, o de maior teor (117,68± 4,40 mg EAG/g). Para as análises de sequestro das espécies reativas de oxigênio e nitrogênio, os extratos fenólicos foram sempre superiores aos méis brutos in natura. Os extratos fenólicos, de maneira geral, apresentaram alta capacidade de sequestro para o radical peroxila (ROOo), ácido hipocloroso (HOCl) e óxido nítrico (NOo). Em relação aos melatos, o extrato MO7 apresentou alta capacidade para o sequestro do HOCl (EC50= 4,83 ± 0,13 ?g/mL), enquanto que o MO5 foi melhor para o sequestro do NOo (EC50=2,16 ± 0,18 ?g/mL). Pelo método HPLC-ABTS on-line foi possível identificar e quantificar a contribuição para a atividade antioxidante do ácido ferúlico no extrato (MO1) e do flavonoide kanferol na amostra (MO4). O ácido ascórbico foi identificado e quantificado por HPLC somente nos melatos (MO3, MO5 e MO7). Pela técnica de LC-MS/MS foram identificados a presença dos seguintes compostos fenólicos: ácido caféico, rutina e hesperidina em todos os extratos. A análise de compostos voláteis por SPME-CG/EM mostrou a presença de dois compostos, encontrados apenas nos melatos, que foram o terpineno-4-ol, que possui ação antifúngica, antiparasitológica e anti-inflamatória; e o 3,4-dimetil-1-deceno, podendo assim serem utilizados como marcadores químicos destes méis. O conhecimento da composição química destes méis, bem como a composição fenólica bioativa, contribui para o fornecimento de antioxidantes naturais para a dieta, atenuando assim os efeitos negativos dos radicais livres / Brazil has a great potential to explore beekeeping due to its vast territory and diversified flora, what allows different varieties of honeys with unique characteristics. Parana state is one of the largest honey producers and the investment in production that meets the most demanding markets stimulated the organic honey production. The knowledge since early in history regarding the beneficial health effects promoted by honey is stimulating the scientific research of this noble food. Thus, this paper aimed to study certified Brazilian organic honeys (MO) in order to determine the phenolic and volatile profiles, and also the evaluation of radical scavenging capacity against Nitrogen and Oxygen Reactive Species (RNS and ROS, respectively). The honeys were collected from apiaries from beekeepers with the organic certification from two municipalities of southern Parana, General Carneiro and Turvo, PR. In the essays, phenolic extracts were obtained from honeys by using Amberlite® XAD®2 resin, as well as crude in natura honeys. The extracts showed a significant content in phenolic compounds, with honeydew (MO5), from General Carneiro, showing the highest content (117,68 ± 4,40 mg AGE/g). For the analyzes to determine the radical scavenging capacity against RNS and ROS, the phenolic extracts always showed up superior results in comparison to crude in natura honeys. Phenolic extracts showed, in general, great capacity to scavenge peroxyl radical (ROOo), hypochlorous acid (HOCl) and nitric oxide (NOo). In relation to honeydews MO7 extract showed the highest capacity to scavenge HOCl (IC50= 4,83 ± 0,13 ?g/mL) while MO5 was the sample with better capacity to scavenge NOo (IC50=2,16 ± 0,18 ?g/mL). By using HPLC-ABTS on-line method it was possible to identify and to quantify the ferulic acid in MO1 extract, a compound with an important contribution to the antioxidant activity of this sample, as well as the flavonoid kaempferol in MO4 sample. Ascorbic acid was identified and quantified by HPLC only in the honeydew samples (MO3, MO5 and MO7). The analyzes developed by LC-MS/MS techniques indicated the presence of the phenolic compounds caffeic acid, rutin and hesperidin in all the extracts. The analysis of volatile substances developed by SPME-GC/MS promoted the identification of two compounds found only in the honeydew samples. The compounds were the terpinen-4-ol, which has antifungal, antiparasitological and anti-inflammatory activities; and 3,4-dimethyl-1-decene. Both compounds can be used as chemical markers of these honeys. The knowledge of the chemical composition of the studied honeys, as well as their bioactive phenolic composition, contributes to supply natural antioxidants to human diet, thus attenuating the negative effects of free radicals

Cette étude s’inscrit dans le cadre du projet MINERVE de la région wallonne quivise notamment à valoriser les anciens centres d’enfouissement technique et leur contenuau travers de la production de matières premières et de sources d’énergie. Plus particulièrement,l’objectif de ce travail est d’étudier un procédé de co-pyrolyse de déchetsplastiques et d’huiles de lubrification usagées, ayant pour finalité la production d’uncombustible alternatif liquide pour l’industrie, en vue d’une future montée en échelledu procédé.Pour ce faire, différentes approches ont été poursuivies. Premièrement, nous avonsmis en place un réacteur de 5 litres, agité et scellé hermétiquement, permettant demener des essais de co-pyrolyse. Des essais de co-pyrolyse d’un mélange de déchetsplastiques excavés et d’huiles de lubrification usagées ont été menés dans le réacteur.L’influence des paramètres clés du procédé, tels que la température maximale, la fractionmassique de plastiques dans le mélange ainsi que la vitesse de refroidissement, surle procédé et la qualité du produit fini a été étudiée. Nous avons été en mesure deproduire un combustible alternatif liquide, possédant un pouvoir calorifique d’environ30 MJ/kg, par la co-pyrolyse d’un mélange contenant 60% de plastiques, en chauffantle mélange durant 13 h, en atteignant une température maximale de 387°C et enlaissant la pression au sein du réacteur monter jusqu’environ 30 bars. Les besoins énergétiquesdu procédé ont été évalués à environ 8 MJ/kg de déchets à pyrolyser, grâce àun modèle de transferts thermiques développé pour le système constitué du réacteur deco-pyrolyse. Ensuite, une méthode a été développée pour déterminer le temps de fonted’une particule de plastique en fonction de sa plus petite dimension. L’application decette méthode nous a permis de déterminer que la plus petite dimension maximale quepeuvent avoir les particules de plastiques dans le mélange plastique/huile, pour queleur fusion ne limite pas le procédé de co-pyrolyse, est d’environ 3 cm. Deux analysesthermiques, la thermogravimétrie isotherme et la calorimétrie différentielle à balayage,ont été combinées pour caractériser le craquage thermique et son influence sur plusieurspolymères. L’influence du craquage thermique sur les polymères a été évaluée sur basede l’analyse de la fusion ou de la transition vitreuse du polymère. Les protocole et dispositifexpérimentaux de co-pyrolyse de déchets plastiques et d’huiles de lubrificationusagées à l’échelle du laboratoire ont été adaptés pour pouvoir co-pyrolyser un mélangecontenant du PVC. Différents essais de co-pyrolyse par étapes ont été menés pour évaluerl’influence des paramètres comme l’évolution de la température pendant l’essai, lecontenu en PVC du mélange et le plastique en mélange avec le PVC (LDPE ou PS).Enfin, les interactions qui prennent place entre le LDPE ou le PS et une huile, lorsde leur co-pyrolyse, ont été mises en évidence à l’aide d’essais de thermogravimétriehaute résolution. Nous avons tenté d’expliquer les interactions mises en évidence, grâceà une combinaison d’analyses thermiques permettant de caractériser, voire d’identifier,les produits de décomposition de l’échantillon, en continu ou en fin de chauffe.This study takes part in the MINERVE (Walloon region) which aims at enhancingthe old landfills and valorize their content through the production of raw materials andenergy sources. Specifically, the objective of this work is to study a co-pyrolysis processof waste plastics and used lubrication oils, whose purpose is the production of a liquidalternative fuel for industry, in order to future scaling up the process.To do so, different approaches have been pursued. First, we set up a 5 liter reactor,stirred and hermetically sealed for performing co-pyrolysis tests. Co-pyrolysis tests ofa mixture of excavated plastic wastes and used lubrication oils were performed in thereactor. The influence of key parameters, such as maximum temperature, the massfraction of plastics in the mixture and the cooling rate, on the process and the qualityof the fuel was investigated. We were able to produce a liquid alternative fuel, witha calorific value of about 30 MJ/kg by co-pyrolyzing a mixture containing 60 % ofplastic, heating the mixture for 13 h, reaching a maximum temperature of 387°C anda maximum pressure of about 30 bar. The energy requirements of the process wereevaluated at about 8 MJ per kg of waste through a heat transfer model developed forthe system consisting of the co-pyrolysis reactor. In addition, a method was developedto determine the time of melting of a plastic particle according to its smallest size.The application of this method allowed us to determine that the maximum smallestsize that can have plastic particles in plastic/oil mixture, so that their melting willnot limit the co-pyrolysis process, is about 3 cm. Two thermal analysis techniques,isothermal thermogravimetry and differential scanning calorimetry, were combined tocharacterize the thermal cracking and its influence on several polymers. The influence ofthermal cracking of the polymers was evaluated based on the analysis of the melting orglass transition of the polymer. The experimental protocol and device of waste plasticsand used lubricating oils co-pyrolysis have been adapted to co-pyrolyze a mixturecontaining PVC. Two-step co-pyrolysis tests were performed to evaluate the influenceof parameters such as the evolution of the temperature during the test, the PVCcontent of the mixture and the plastic that is mixed with PVC (LDPE or PS). Finally,interactions that take place between the LDPE or the PS and an oil, when co-pyrolyzed,have been identified with high resolution thermogravimetry experiments. We tried toexplain the identified interactions through a combination of thermal analyzes thatcharacterized or identified the sample decomposition products, continuously duringthe thermal decomposition or at its end. / Doctorat en Sciences de l'ingénieur et technologie / info:eu-repo/semantics/nonPublished

The growing need for fast sampling of explosives in high throughput areas has increased the demand for improved technology for the trace detection of illicit compounds. Detection of the volatiles associated with the presence of the illicit compounds offer a different approach for sensitive trace detection of these compounds without increasing the false positive alarm rate. This study evaluated the performance of non-contact sampling and detection systems using statistical analysis through the construction of Receiver Operating Characteristic (ROC) curves in real-world scenarios for the detection of volatiles in the headspace of smokeless powder, used as the model system for generalizing explosives detection. A novel sorbent coated disk coined planar solid phase microextraction (PSPME) was previously used for rapid, non-contact sampling of the headspace containers. The limits of detection for the PSPME coupled to IMS detection was determined to be 0.5-24 ng for vapor sampling of volatile chemical compounds associated with illicit compounds and demonstrated an extraction efficiency of three times greater than other commercially available substrates, retaining >50% of the analyte after 30 minutes sampling of an analyte spike in comparison to a non-detect for the unmodified filters. Both static and dynamic PSPME sampling was used coupled with two ion mobility spectrometer (IMS) detection systems in which 10-500 mg quantities of smokeless powders were detected within 5-10 minutes of static sampling and 1 minute of dynamic sampling time in 1-45 L closed systems, resulting in faster sampling and analysis times in comparison to conventional solid phase microextraction-gas chromatography-mass spectrometry (SPME-GC-MS) analysis. Similar real-world scenarios were sampled in low and high clutter environments with zero false positive rates. Excellent PSPME-IMS detection of the volatile analytes were visualized from the ROC curves, resulting with areas under the curves (AUC) of 0.85-1.0 and 0.81-1.0 for portable and bench-top IMS systems, respectively. Construction of ROC curves were also developed for SPME-GC-MS resulting with AUC of 0.95-1.0, comparable with PSPME-IMS detection. The PSPME-IMS technique provides less false positive results for non-contact vapor sampling, cutting the cost and providing an effective sampling and detection needed in high-throughput scenarios, resulting in similar performance in comparison to well-established techniques with the added advantage of fast detection in the field.

La excesiva dependencia del petróleo en nuestra sociedad, un recurso natural no renovable, ha provocado en los últimos años un interés creciente en los biocombustibles. Esto se ha traducido principalmente en un impulso en la investigación de las tecnologías destinadas en convertir los recursos vegetales en combustibles. Sin embargo, las fuentes de biocombustibles compiten generalmente en recursos (tierra y agua) con los cultivos destinados a la alimentación, siendo imprescindible la búsqueda de cultivos energéticos sostenibles y con pocos requerimientos de riego y fertilización. El látex es un líquido blanco y viscoso de composición similar a la del crudo de petróleo (compuestos hidrocarbonados), el cual puede convertirse en combustible utilizando las instalacions de las refineries convencionales. Las plantas laticíferas son abundantes en el entorno mediterráneo, y por tanto muy adaptadas a condiciones climáticas semiáridas. En los años 70, Melvin Calvin inició una investigación sobre diversas plantas del género Euphorbia, con el propósito de averiguar el rendimiento potencial en producción de látex. En la presente tesis doctoral, se ha seleccionado E. characias por su composición química y características agronómicas, de entre diversas especies potenciales bioenergéticamente de plantas laticíferas de la zona mediterránea. De esta especie se ha estudiado su rendimiento potencial en Kg ha-1 de látex en distintas condiciones edafológicas, de riego y de salinidad, para determinar cuáles son las condiciones óptimas de cultivo de esta planta y como reacciona frente a condiciones adversas. Los resultados han mostrado que E. characias podría proporcionar una producción de 5600 Kg ha-1 de materiales transformables en combustibles, de los cuales 1300 Kg ha-1 corresponderían a compuestos hidrocarbonados del látex, y 4300 Kg ha-1 serían carbohidratos fácilmente fermentables en etanol. Puesto que se trata de una planta muy adaptada al entorno mediterráneo, consideramos que E. characias es un candidato potencial como fuente de cultivo energético eficiente y sostenible. / Escrig Aparici, P. (2014). Estudio de las plantas laticíferas como potenciales cultivos energéticos para clima semiárido [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/38617 / TESIS

It has been discovered during the past few years that demosponges of the order Verongida such as Aplysina cavernicola exhibit chitin-based skeletons. Verongida sponges are well known to produce bioactive brominated tyrosine derivatives. We could recently demonstrate that brominated compounds do not exclusively occur in the cellular matrix but also in the skeletons of the marine sponges Aplysina cavernicola and Ianthella basta. Our measurements imply that these yet unknown compounds are strongly, possibly covalently bound to the sponge skeletons. In the present work, we determined the skeletal amino acid composition of the demosponge A. cavernicola especially with respect to the presence of halogenated amino acids. The investigations of the skeletons before and after MeOH extraction confirmed that only a small amount of the brominated skeleton-bound compounds dissolves in MeOH. The main part of the brominated compounds is strongly attached to the skeletons but can be extracted for example by using Ba(OH)2. Various halogenated tyrosine derivatives were identified by GC-MS and LC-MS in these Ba(OH)2 extracts of the skeletons.

This diploma thesis deals with the influence of dry hopping on selected analytical and sensory properties of beer. The effect of dry hopping was observed using Czech hop varieties Kazbek and Uran, which were added to the wort during the main fermentation phase in doses of 3 and 6 gdm-3. The contact time of hops with wort was 3, 6 and 9 days. The experimental part describes the technology of preparation of the reference beer, in which dry hopping were subsequently performed. A parallel measurement was performed on each sample. In terms of the basic parameters of beer, the effect of dry hopping, especially its length, on the ethanol content was observed. With a longer period of dry hopping, the concentration of ethanol in beer increased. The higher alcohol concentration was also associated with a decrease in the apparent extract. In terms of color and pH of beer, the effect of dry hopping has not been proven. Elemental analysis performed by optical emission spectrometry with inductively coupled plasma revealed an increase in the concentration of calcium, magnesium, and iron due to dry hopping. No statistically significant difference was observed for manganese and barium compared to the reference. In terms of bitterness, a significant increase was identified in dry hopped beers compared to the reference, the value being dependent on the dose of hops used. The effect of the hop variety has not been proved. Concentrations of organic acids determined by ion-exchange chromatography with a conductivity detector were affected by dry hopping only in the case of lactic acid and acetic acid. An increase in lactic acid was observed compared to the reference, also related to the degree of fermentation. While in the acetic acid content the hop samples showed a lower concentration than the reference sample. The concentrations of myrcene, humulene and geraniol were determined by gas chromatography with a mass detector. These are volatile components of hop essential oils. Dry hopped samples recorded significantly higher concentrations of all aromatic substances compared to the reference. In terms of hop time, the highest concentrations were shown by samples hopped for three days. The results of the sensory analysis show that the overall best rated sample is a sample hopped with the Kazbek variety with a dose of 3 gdm-3 for three days. Beer which was dry hopped for the shortest time also showed the lowest intensity of bitterness, which was perceived positively.

This diploma thesis deals with the identification of aroma active compounds in medicinal herbs. The group consists of 5 types of herbs: lemon balm (Melissa officinalis), pot marigold (Calendula officinalis), clary sage (Salvia sclarea), milk thistle (Silybum marianum), goat’s rue (Galega officinalis). These plants are known for their positive effects in folk medicine. The SPME-GC-MS method was chosen to characterize the fragrances. During the identification of volatile compounds, emphasis was put on suspected fragrance allergens listed in EC Regulation 1223/2009 in Annex III. Overall 106 compounds were identified together with 8 allergens in lemon balm, pot marigold contained 104 compounds with 7 allergens included, 82 compounds including 5 allergens in clary sage, 73 compounds were identified in milk thistle including 6 allergens and 110 compounds with 9 allergens included in goat’s rue.

The identification of the hydrolysis and photodegradation products of flexible polyurethane foams (PUFs) with addition of biooriginated and biodegradable additive was the first topic of this dissertation work. Separation of polyurethane foam hydrolysis degradation products, designed for ecotoxicological tests, was managed by high-performance liquid chromatography coupled with mass spectrometry (HPLC/MS). The degradations product structure was elucidated by tandem mass spectrometry (MSn). PUF photodegradation products were obtained by exposure of materials by irradiation at 254 nm. Semi-volatile degradation products were isolated from the exposed polyurethane by n-hexane extraction; volatile compounds were collected by solid phase microextraction (SPME). Gas chromatography with mass spectrometry (GC/MS) and complete orthogonal tandem gas chromatography with mass spectrometry (GCxGC/TOF MS) was used for separation and identification of photodegradation products. The influence of the bio-filler on the character of degradation products and the possible effect of PUF degradation products on the environment was discussed at the end of this section. The determination of isoprostanes – markers of oxidative stress in tissues of beadlet anemone (Actinia equina) was the subject of the second topic. F2-isoprostanes were synthesized from the arachidonic acid. With thereby prepared isoprostanes the method of determination by liquid chromatography with tandem mass spectrometry (HPLC/MS/MS) was developed and optimized. The isoprostane isolation process from the Actinia equina tissues was optimized with solid phase extraction (SPE). The resulting methodology was used to quantify isoprostanes in tissues of anemones, which were exposed to both moderate and high temperature changes. The temperature changes were used to initiate the oxidative stress in organisms. In addition, concentration levels of unknown compounds were also monitored. These unknown compounds were extracted from tissues together with F2-isoprostanes and their identity is discussed in this dissertation work too. The possibility of using isoprostane levels in the Anthozoa tissues for the oxidative stress monitoring is discussed in the conclusion of this work.