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Development of methods for the analysis of petroleum contaminated soilsOkop, Imeh January 2010 (has links)
Soil contamination from petroleum spills is a frequent environmental problem in the world. It is obvious that petroleum exploration has contributed immensely to the economic growth of Nigeria, but over the last few decades, the Niger Delta of Nigeria has suffered grave human health risk and ecosystem degradation resulting from oil spillages, petroleum products leakages and other involuntary effluent discharges from oil exploration activities. This research seeks to develop and optimize GC-FID methods for the analysis of Petroleum hydrocarbons. Crude oil spillage contamination of soil from the Niger Delta was investigated 3 months after a crude oil-pipeline spillage. 47 Soil samples (300-500g) were collected at several points in the South-South Niger Delta. Control samples were taken from four unaffected sites within the vicinity of spillage with similar soil characteristics. Samples were collected at depths of 0-15 cm, 15-30 cm and 30-60 cm. The soil samples were prepared for analysis using solvent extraction methods, passed through column of sodium sulphate and Florisil® to aid in column performance, remove moisture and gross impurities. Samples were analysed using gas chromatography with a flame ionisation detector. Penetration and migration of C10-C26 and C26-C34 hydrocarbons through the soil layers were assessed by cluster analysis to determine the spatial distribution, penetration and chemical similarity of these compounds over the contaminated area. This information is a useful guide for bioremediation purpose. It was found that total petroleum hydrocarbon concentrations varied from 9-289 mgkg-1 topsoil, 8-318 mgkg-1 subsoil and 7-163 mgkg-1 at the greatest depth measured.The results show elevated levels of total hydrocarbon contents when compared with the reference sites. Drastic steps should be taken to carefully monitor and remediate the environment. Bioremediation with plants and micro-organisms is endorsed.
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Determining the Suitability of Sedimentary Magnetism for Use in Interpretation of Archaeological Sites and FeaturesKrob, Jorian C. 01 July 2020 (has links)
No description available.
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Disease biomarker discovery and fungal metabolites extraction protocol optimization using GCMS based metabolomicsGamlath Mohottige, Chathuri Udeshika 10 December 2021 (has links)
Metabolomics is a powerful science that can be applied for the discovery of disease biomarkers, and investigation of altered metabolomes due to abiotic and biotic perturbations. This dissertation is focused on untargeted metabolomic applications to investigate fungal metabolite alterations associated with pathogenicity, fungal disease propagations, and symbiosis. This dissertation employs qualitative analysis of metabolite mixtures using HS-SPME coupled GC-MS and TMS derivatization followed by GC-MS analytical platforms. In the first study, we discovered a biomarker combination to diagnose fungal soft tissue disease in sweet potato at an early stage of disease propagation. We used an HS-SPME GC-MS untargeted metabolomics workflow to analyze the VOC associated with Rhizopus stolonifer infected and healthy sweet potatoes in situ and simulated warehouse environments. A single combination of 4 biomarkers was able to diagnose R. stolonifer fungal soft tissue disease (AUC = 0.980, 95% C.I. 0.937-1) and the early stage of the fungal soft rot disease (AUC = 0.999, 95% C.I. 0.978-1). We were able to detect the biomarkers: 1- propanol, ethyl alcohol, ethyl propionate and 3-methyl-3- buten-1-ol during disease progression in a simulated warehouse environment. Therefore, this study shows the feasibility of early diagnosis of fungal soft tissue disease by a real-time screening of volatile profiles of sweet potato in post-harvest storage. When considering the study of a particular species metabolome, it is crucial to develop a metabolite extraction protocol. In the second study, the performance of the six different metabolite extraction solvents mixtures was tested with the preferred mix being: butanol:methanol:water (2:1:1, v/v at -20 °C) which was used as a single solvent mix to extract both polar and relatively non-polar metabolites simultaneously in a single extraction step. The Macrophomina phaseolina fungal metabolome was investigated using the solvent mix. Finally, fungal mutualism was studied using untargeted metabolomics. Most often mycorrhizal metabolomics workflows are based on analyzing the Arbuscular Mycorrhizae colonized root metabolome. But here, we used hyphal materials to examine the mutualistic symbiotic association of the AM fungi. All untargeted metabolomic studies included chemometric data analysis and specific biomarkers and or metabolites were determined using multivariate statistics or prediction model building and validating.
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Chemometric Analysis of Volatile Organic Compound Biomarkers of Disease and Development of Solid Phase Microextraction Fibers to Evaluate Gas Sensing LayersWoollam, Mark David 08 1900 (has links)
Indiana University-Purdue University Indianapolis (IUPUI) / Canines can detect different diseases simply by smelling different biological sample types, including urine, breath and sweat. This has led researchers to try and discovery unique volatile organic compound (VOC) biomarkers. The power of VOC biomarkers lies in the fact that one day they may be able to be utilized for noninvasive, rapid and accurate diagnostics at a point of care using miniaturized biosensors. However, the identity of the specific VOC biomarkers must be demonstrated before designing and fabricating sensing systems. Through an extensive series of experiments, VOCs in urine are profiled by solid phase microextraction (SPME) coupled to gas chromatography-mass spectrometry (GC-MS) to identify biomarkers for breast cancer using murine models. The results from these experiments indicated that unique classes of urinary VOCs, primarily terpene/terpenoids and carbonyls, are potential biomarkers of breast cancer. Through implementing chemometric approaches, unique panels of VOCs were identified for breast cancer detection, identifying tumor location, determining the efficacy of dopaminergic antitumor treatments, and tracking cancer progression. Other diseases, including COVID-19 and hypoglycemia (low blood sugar) were also probed to identify volatile biomarkers present in breath samples. VOC biomarker identification is an important step toward developing portable gas sensors, but another hurdle that exists is that current sensors lack selectivity toward specific VOCs of interest. Furthermore, testing sensors for sensitivity and selectivity is an extensive process as VOCs must be tested individually because the sensors do not have modes of chromatographic separation or compound identification. Another set of experiments is presented to demonstrate that SPME fibers can be coated with materials, used to extract standard solutions of VOCs, and analyzed by GC-MS to determine the performance of various gas sensing layers. In the first of these experiments, polyetherimide (PEI) was coated onto a SPME fiber and compared to commercial polyacrylate (PAA) fibers. The second experiment tuned the extraction efficiency of polyvinylidene fluoride (PVDF) - carbon black (CB) composites and showed that they had higher sensitivity for urinary VOC extraction relative to a polydimethylsiloxane (PDMS) SPME fiber. These results demonstrate SPME GC-MS can rapidly characterize and tune the VOC adsorption capabilities of gas sensing layers.
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Exploitation des données spectrales dans la sécurisation du circuit des médicaments anticancéreux / Exploitation of the spectral data in the safety management of the circuit of anticancer drugsLê, Laetitia Minh Mai 11 July 2014 (has links)
La plupart des médicaments anticancéreux sont des substances à marge thérapeutique étroite, les erreurs médicamenteuses peuvent avoir des conséquences majeures pour les patients. Il est de la responsabilité pharmaceutique de garantir le bon médicament à la bonne dose par la mise en place d’un contrôle qualité des préparations avant administration. Par ailleurs, ces molécules potentiellement cancérogènes, mutagènes et reprotoxiques présentent un risque pour les personnes exposées notamment le personnel de santé. L’objectif de ce travail de thèse a été de développer des outils permettant d’optimiser la sécurité du circuit de ces médicaments anticancéreux à l’hôpital tant pour le patient que pour le personnel de santé. Des outils analytiques associés à des méthodes d’interprétation des données issues de la chimiométrie et de la gestion de risque ont été mis en œuvre afin de répondre à cette problématique.Dans le cadre de la sécurisation du personnel, la recherche de traces de molécules anticancéreuses dérivées du platine a permis de mettre en évidence les zones les plus contaminées. Sur la base de ces contaminations et des conditions de travail, une méthodologie d’analyse de risque multicritère a été développée pour évaluer le risque d’exposition du personnel. Face au risque encouru, différentes mesures correctives ont été envisagées et des études évaluant plus spécifiquement l’efficacité détergente des opérations de décontamination des surfaces et des flacons ont été menées.En parallèle, des essais visant à sécuriser les préparations avant administration ont été conduits sur deux molécules anticancéreuses : le 5-fluorouracile et la gemcitabine. Au regard de leur caractère non destructif, non invasif et de ce fait, plus sécurisé, les spectroscopies vibrationnelles Raman et proche infrarouge ont été explorées. Les données spectrales (zones spectrales et prétraitements) ont été optimisées par des analyses multivariées ComDim pour développer des modèles de régression PLS prédisant la concentration en principe actif en solution. Les résultats ont montré la faisabilité et la complémentarité des techniques de spectroscopie Raman et proche infrarouge pour la détermination quantitative des molécules anticancéreuses. / Most of the anticancer drugs are defined by a narrow therapeutic margin; therefore medical errors can have major consequences on patients. Thus, it’s necessary to guarantee the good drug at the good dose by the implementation of a quality control of the preparation before administration. These potentially carcinogenic, mutagenic or teratogenic drugs present a risk for exposed people especially healthcare workers.The aim of this study was to develop tools which can optimize the safety of the cytotoxic medication circuit in hospitals, for the patient as much as for healthcare workers. In order to respond to these problematics, analytical tools have been associated with different methods of data interpretation of chemometric and risk management.To improve healthcare workers’ safety, environmental monitoring looking for traces of platinum compound cytotoxic drugs were performed to identify the most contaminated areas. Based on these contaminations and working conditions, a methodology of multi-criteria risk analysis has been developed to quantify the risk of exposure of healthcare workers. Regarding the risk, various corrective measures were considered. Thus, studies based on the detergent efficiency of decontamination protocols used to clean workplace surfaces and cytotoxic vials were conducted.In parallel, assays were performed on two anticancer molecules to secure cytotoxic preparations before administration: 5-fluorouracile and gemcitabine. Regarding their non-destructive, non-invasive properties and therefore, more secured handling, Raman and near infrared spectroscopy were explored. Spectral data (spectral zones and pretreatments) were optimized by multivariate analyses ComDim to develop models of regression PLS predicting the concentration of the active ingredient in solution. Results showed the feasibility and the complementarity of these two spectroscopies in the quantitative determination of the cytotoxic drugs.These works participate in the continuous approach of quality assurance implemented in numerous health institutions. We hope that they will contribute to durably decrease risks associated to cytotoxic drugs for both patients and healthcare workers.
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Selection and development of algorithms based on surface fluorescence compounds of fish for non-destructively monitoring freshness during storage / 貯蔵段階における魚体表の蛍光物質を用いた非侵襲的な鮮度評価のためのアルゴリズムの選定と開発OMWANGE, KEN ABAMBA 26 September 2022 (has links)
京都大学 / 新制・課程博士 / 博士(農学) / 甲第24245号 / 農博第2524号 / 新制||農||1094(附属図書館) / 学位論文||R4||N5416(農学部図書室) / 京都大学大学院農学研究科地域環境科学専攻 / (主査)教授 近藤 直, 教授 飯田 訓久, 准教授 小川 雄一 / 学位規則第4条第1項該当 / Doctor of Agricultural Science / Kyoto University / DFAM
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Assinaturas antropog?nicas de elementos maiores e tra?os em poeira urbana na cidade do Natal-RNAzevedo Filho, Jo?o Batista de 11 March 2011 (has links)
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Previous issue date: 2011-03-11 / Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior / Although there are many studies on urban dust contamination by heavy metals in
developed countries, little attention has been paid to this type of study in developing
countries, including Brazil. Therefore, a series of investigations were performed to provide
signatures of heavy metals in urban dust and assess the potential sources in the city of Natal -
RN-Brazil. The fraction of these sediments was studied to pass through a sieve of 63
micrometers. For the study analyzed two groups of samples, one collected in September 2009
at the end of the rainy season (9 samples) and one collected in January 2010 in the dry season
(21 samples). So in all, thirty sediment samples were collected from the street. Then, in
Fluorescence Spectrometry X-rays were determined major elements SiO2, Na2O, K2O, Al2O3,
MgO, P2O5, Fe2O3, MnO, TiO2 and CaO, and trace Rb, Cr, Ni, Cu, Zn, Sr and Pb by an ICPOES
was determined Zn, V, Na, K, Ni, Mn, Mg, P, Fe, Cr, Cu, Pb, Ba, Ca and Al from
leaching HCl 0.5 mol L-1 . The results of the concentrations of elements show that the greater
presence of these occurs in the dry season, except for Si which is higher in the rainy season.
Analyses by geoaccumulation Index (IGEO) Enrichment Factor (EF), Contamination Factor
(CF), analysis correlation and Hierarchical Cluster, confirm that Zn, Cu and Pb is
anthropogenic character. Zinc may be derived from various sources related to motor vehicles
or the road signs and street grids. The elements Na, K, Mg and Ca may be related to droplets
suspended in air containing cations and anions present in seawater (salty), common in
Christmas throughout the year, brought by winds SE-NW. The elements Na, Mg, Ca and K
are the most abundant in seawater and were analyzed in this study. This indicates that the
source of these additional elements detected by analyzing the contamination factor may be the
very sea. Moreover, Ni, Fe, Cr and Ba can be either as a source of anthropogenic geog?nica.
The source of Ca is different, because it comes in lime and paint (painting guides of buildings
and streets) in construction materials, but may also be present in sediments in the fragments of
shells or carbonate bioclasts common in the coastal area / Embora existam muitos estudos sobre a contamina??o de poeiras urbanas por metais
pesados nos pa?ses desenvolvidos, pouca aten??o tem sido dada a este tipo de estudo nos
pa?ses em desenvolvimento, incluindo o Brasil. Portanto, uma s?rie de investiga??es foram
realizadas para fornecer assinaturas de metais pesados em poeiras urbanas e avaliar as fontes
potenciais na cidade do Natal RN-Brasil. A fra??o estudada destes sedimentos foi a passante
na peneira de 63 μm. Para o estudo foram analisados dois grupos de amostras, sendo um
coletado no m?s de setembro de 2009 no final da esta??o chuvosa (9 amostras) e outro
coletado no m?s de janeiro de 2010 no final da esta??o seca (21 amostras). Portanto ao todo,
trinta amostras de sedimentos de rua foram coletadas. Em seguida, por Espectrometria de
Fluoresc?ncia de raios X foram determinados os elementos maiores SiO2, Na2O, K2O, Al2O3,
MgO, P2O5, Fe2O3, MnO, TiO2 e CaO e tra?os Rb, Cr, Ni, Cu, Zn, Sr e Pb. Pela t?cnica de
ICP-OES foram determinados Zn, V, Na, K, Ni, Mn, Mg, P, Fe, Cr, Cu, Pb, Ca, Ba e Al a
partir de lixivia??o a HCl 0,5 mol L-1. Os resultados das concentra??es dos elementos
mostram que a maior presen?a desses ocorre na esta??o seca, com exce??o para o Si que ?
maior na esta??o chuvosa. As an?lises por ?ndice de Geoacumula??o (IGeo), Fator de
Enriquecimento (FE), Fator de Contamina??o (FC), an?lises de correla??o e agrupamentos,
confirmam que Zn, Cu e Pb tem car?ter antropog?nico. O Zn pode ser proveniente de fontes
diversas relacionados aos ve?culos automotores ou ?s placas de sinaliza??o e grades das ruas.
Os elementos Na, K, Mg e Ca podem estar relacionados ?s got?culas de ar que cont?m em
suspens?o os c?tions e ?nions presentes na ?gua do mar (maresia), comum em Natal durante
todo o ano, trazida pelos ventos SE-NW. Os elementos Na, Mg, Ca e K s?o os mais
abundantes na ?gua do mar e foram analisados no presente trabalho. Isto indica que a fonte
adicional destes elementos detectada atrav?s da an?lise do fator de contamina??o pode ser a
pr?pria maresia. Por outro lado, Ni, Fe, Cr e Ba podem ser tanto de origem antropog?nica
como de origem geog?nica. A fonte do Ca ? diversa, pois este entra na cal e tintas (pintura de
edifica??es e guias de ruas), nos materiais de constru??o civil, mas pode estar tamb?m
presente nos sedimentos nos fragmentos de conchas ou bioclastos carbon?ticos comuns na
?rea litor?nea
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Estudo fitoquímico e atividades biológicas de Jatropha curcas L.Ribeiro, Sandra Santos 29 April 2010 (has links)
Conselho Nacional de Desenvolvimento Científico e Tecnológico / In this work was determined, for the first time, the volatile composition from fresh and dried leaves of six accessions (named PM-2, PM-7, PM-10, PM-11, PM-12 e PM-14) and a cultivar (EPAMIG, named here EMB) of Jatropha curcas L. The
volatile compounds was extracted by hydrodistillation and then analyzed by GCMS. Thus, it was possible to observe that the (Z)-3-hexen-1-ol was the major compound in the fresh leaves (>70% in all accessions). Alcohols also predominated in the dried leaves, mainly (Z)-2-penten-1-ol and (Z)-3-hexen-1-ol, but others constituents were identified in significant proportions included benzenoid compounds such as benzaldehyde. The influence of drying on volatile composition from leaves of J. curcas was evaluated on the PM-2 accession. Besides, this work also describes the development of a High Performance Liquid Chromatograpy (HPLC) method for differentiation of six accessions and a cultivar (EPAMIG) from fresh and dried leaves of J. curcas. The methanol extracts of the leaves were analyzed by HPLC-DAD and after stages of optimizations, we obtained the fingerprint chromatograms. For a comparative analysis of the
accessions and a cultivar, were applied chemometric tools of Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA), which it was possible to discriminate the samples from dried leaves according to their origins.
The methanol extracts of the leaves were submitted to cytotoxicity assay against four tumor cell lines (HCT-8, HL-60, SF-295 and MDA-MB435), presenting IC50 values of 25.13 μg/ml, against HL-60 cell line for EMB sample considered
promising by National Institute of Cancer, USA (NCI). The biological activity of this extracts was evaluated on the development of Spodoptera frugiperda, considered as a primary pest in corn crop. It was observed 60% larval mortality. / No presente trabalho foi determinado, pela primeira vez, os compostos voláteis das folhas frescas e secas de Jatropha curcas L. pela técnica de hidrodestilação, para seis diferentes acessos (denominados de PM-2, PM-7, PM-10, PM-11, PM-
12 e PM-14) e uma cultivar (EPAMIG, denominada de EMB). As análises foram realizadas através de CG/EM, obtendo-se o (Z)-3-hexen-1-ol (75,7±18,2%) como composto majoritário nas folhas frescas, com percentuais superiores a 70% entre os acessos. Nas folhas secas obteve-se como compostos majoritários o (Z)-2- penten-1-ol (14,9±11,3%), (Z)-3-hexen-1-ol (9,6±9,1%) e o benzaldeído (3,9±2,7%). Um experimento de secagem foi realizado para o acesso PM-2 com intuito de verificar o efeito da secagem na composição dos voláteis das folhas de J. curcas. Neste trabalho também foi desenvolvido um método por Cromatografia Líquida de Alta Eficiência (CLAE) para diferenciação dos seis acessos e da cultivar (EPAMIG) para folhas frescas e secas de J. curcas. Os extratos
metanólicos das folhas foram analisados por CLAE-DAD e após etapas de otimizações, foram obtidos os cromatogramas fingerprints. Para uma análise comparativa entre os acessos e a cultivar, aplicaram-se ferramentas quimiométricas de Análise dos Componentes Principais (PCA) e Análise de Agrupamentos Hierárquicos (HCA), pelas quais foi possível diferenciar as
amostras das folhas secas de acordo com suas procedências. Os extratos metanólicos também foram submetidos a ensaios de citotoxicidade in vitro para 04 linhagens de células tumorais humanas (HCT-8, HL-60, SF-295 e MDA-MB- 435), obtendo-se CI50 25,13 μg/mL, na linhagem HL-60 para a amostra da cultivar (EPAMIG). Este resultado está dentro do intervalo proposto pelo National Institute of Cancer, USA (NCI) para considerar extratos como promissores. A atividade biológica destes extratos também foi avaliada sobre o desenvolvimento de Spodoptera frugiperda, principal praga do milho, apresentando 60% de mortalidade larval.
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Approche métabolomique dans l'analyse de l'évolution oxydative des vins en spectrométrie de masse à très haute résolution / Metabolomic approach in the analysis of the oxidative evolution of wines using high resolution mass spectrometryBoutegrabet, Lemia 13 June 2012 (has links)
Tout au long du procédé d’élaboration d’un vin, des réactions d’oxydation peuvent se produire y compris au cours du vieillissement en bouteilles. Depuis quelques années, la profession viti-vinicole est confrontée au problème de l’oxydation prématurée des vins blancs.. A ce jour, peu d’études ont pu apporter des explications d’ordre chimique à ce phénomène, et les mécanismes réactionnels intervenant restent peu connus.L’objectif de ce travail de thèse est d’apporter, au travers d’une analyse moléculaire non ciblée en spectrométrie de masse à transformée de Fourier et à résonance cyclotronique des ions (FT-ICR-MS) couplée à une étude chimiométrique, des réponses originales aux questions posées par la problématique actuelle d’oxydation prématurée des vins blancs. Nous avons montré suite à l’étude d’une série de vins oxydés prématurément non seulement la grande diversité chimique des vins, mais aussi la présence d’un ensemble de masses typiques associées à ce phénomène. Pour une meilleure compréhension de l’origine de cette problématique, nous avons considéré deux autres types d’oxydation : une oxydation relative exclusivement à un apport contrôlé en oxygène et une autre relative à l'évolution naturelle de vins en bouteilles. Cette dernière consiste en le suivi de l'évolution des espaces chimiques de séries verticales de vins blancs et rouges en fonction du temps. Sur la série verticale des vins blancs allant de 1979 à 2006, une charnière à l’année 1990 a été observée avec des groupes de masses typiques de chacun des vins jeunes (1979-1990) et des vieux vins (1991-2006).La comparaison entre les espaces chimiques discriminants chacun de ces trois types d’oxydation ne révèle la présence que de trois masses en commun, ce qui appuie l'hypothèse de causes multiparamétriques à l’oxydation prématurée des vins blancs, qui ne serait donc pas un phénomène du exclusivement à une exposition non contrôlée à l'oxygène.Des essais d’élucidation structurale en FT-ICR-MS/MS des masses discriminantes des vins oxydés et de la série verticale ont été effectués et des schémas de fragmentation pour certaines masses sont proposés / During winemaking processes, many oxidation reactions may occur especially during the aging period. Recently, white wines are characterized by a problem of premature oxidation for which few studies have provided chemical explanation. To date, the involved mechanisms in this phenomenon remain poorly understood.The aim of this thesis project is to provide, through an untargeted molecular analysis using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) coupled to chemometric analysis, original clue to understand the premature oxidation of white wines. Based on the study of a series of premature oxidized white wines, we were able to elucidate the high complexity and the chemical diversity of wine, and got out typical masses characterizing the oxidation state. In order to better understand the origin of this phenomenon, we considered two alternative possibilities of oxidation: the first one induced by oxygen, and the second through a natural evolution of wines in bottles. The latter included the monitoring of the chemical evolution of white and red wines as a function of time. A very interesting result was obtained on the vertical series of white wines from 1979 to 2006, where two groups were separated at the 1990 vintage to provide a group of old wines (1979-1990) and a group of new wines (1991-2006). Typical discriminant masses were found for each group.A comparison between the chemical spaces discriminating each of the three types of oxidation (premature oxidation, oxidation with oxygen and natural evolution of wine in bottle) revealed very few common masses that may indicate that the phenomenon of premature oxidation is indeed influenced by multiple factors.Finally, a structural elucidation of the typical masses of the groups of oxidized and aged wines were established using FT-ICR-MS/MS. Possible fragmentations schemes of some of these masses were proposed
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Cromatografia líquida e análises quimiométricas na diferenciação química de acessos de Lippia alba (Mill) N. E. Brown e potenciais biológicos / Liquid Chromatography and chemometric analysis for the chemical differentiation of access of Lippia alba (Mill) N. E. Brown and biological potentialsJesus, Raphael Amancio 20 February 2018 (has links)
Conselho Nacional de Pesquisa e Desenvolvimento Científico e Tecnológico - CNPq / The methodology developed in the present work, through chromatographic
fingerprint by LC-DAD and Principal Component Analysis (PCA), was adequate
for the chemical differentiation of Lippia alba (Mill) NE Brown accessions,
considering the extraction method (infusion and maceration hydroalcoholic) and
the collection season (summer and winter), allowing to evaluate the influence of
these variables on the chemical composition of extracts obtained. In addition, all
extracts were submitted to cytotoxic tests against two tumor cell lines, HL-60
(human leukemia) and HepG2 (human hepatocellular carcinoma), and to
inhibition tests against the enzyme acetylcholinesterase (AChE) in order to
evaluate the form of extraction and which access is the most promising from a
pharmacological point of view. Among the extracts analyzed against tumor
cells, eight of them, two from the infusion: 01IW and 02IW and six from the
hydroalcoholic extraction: 02HW, 24HW, 39HW, 54HW, 01HS and 24HS,
presented better cell inhibition performances against HL-60, with percentage of
inhibition between 40.0 and 52.0%, suggesting that these extracts are
potentially promising against this lineage. With respect to the anticholinesterase
tests, all extracts studied had low AChE inhibitory effect when compared to
galantamine (87.4%), highlighting only the samples 01HW (28.4%), 02HW
(27.2%), 54HW (29.3%), 01HS (32.7%), 02HS (27.4%) and 24HS (30.3%).
Through the analyzes performed by Nuclear Magnetic Resonance (NMR) it was
possible to identify the structures of some compounds isolated from this
species: flavone tricin and phenylpropanoid verbascoside/isoverbascoside. In
addition, the classes of three other metabolites were proposed: two
phenylpropanoid derivatives and one flavonoid diglucoside. / A metodologia desenvolvida no presente trabalho, utilizando fingerprint
cromatográfico por CL-DAD e Análise de Componentes Principais (PCA), se
mostrou adequado para a diferenciação química de acessos de Lippia alba
(Mill) N. E. Brown, considerando o método de extração (infusão e maceração
hidroalcoólica) e a época de coleta (verão e inverno), permitindo, ainda, avaliar
a influência destas variáveis na composição química dos extratos obtidos.
Adicionalmente, todos os extratos foram submetidos a testes citotóxicos frente
a duas linhagens de células tumorais, HL-60 (leucemia humana) e HepG2
(carcinoma hepatocelular humano), e de inibição enzimática frente a
acetilcolinesterase (AChE) com o intuito de avaliar qual a forma de extração e
qual acesso é o mais promissor do ponto de vista farmacológico. Entre todos
os extratos analisados frente as células tumorais, dois provenientes da infusão:
01II e 02II e seis da extração hidroalcoólica: 02HI, 24HI, 39HI, 54HI, 01HV e
24HV, apresentaram melhores desempenhos de inibição frente a HL-60, com
percentual de inibição entre 40,0 e 52,0%, sugerindo que estes extratos são
potencialmente promissores contra esta linhagem. Com relação aos testes
anticolinesterásicos, todos os extratos estudados apresentaram baixo efeito
inibidor da AChE quando comparados a galantamina (87,4%), com destaque
para os extratos 01HI (28,4%), 02HI (27,2%), 54HI (29,3%), 01HV (32,7%),
02HV (27,4%) e 24HV (30,3%). Através das análises realizadas por
Ressonância Magnética Nuclear (RMN) foi possível identificar as estruturas de
alguns dos compostos isolados a partir desta espécie: a flavona tricina e o
fenilpropanóide verbascosídeo/isoverbascosídeo. Além disso, foram propostas
as classes de outros três metabólitos: dois derivados de fenilpropanóides e um
flavonóide diglicosilado. / São Cristóvão, SE
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