Thèses sur le sujet « MD-2 »
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Divanovic, Senad. « Negative Regulation of TLR4/MD-2 Signaling by RP105/MD-1 ». University of Cincinnati / OhioLINK, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1124119013.
Texte intégralWalsh, Catherine Margaret. « Contributions of equine TLR4 and MD-2 to Lipid A discrimination ». Thesis, University of Cambridge, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.612193.
Texte intégralChokbunpiam, Tadija, Rungroi Chanajaree, Oraphan Saengsawang, Siegfried Fritzsche, Christian Chmelik, Wolfhard Janke, Jürgen Caro, Tawun Remsungnen et Supot Hannongbua. « Diffusion and adsorption of N 2 and C 2 H 6 in ZIF-8 MD and MC simulations ». Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-183054.
Texte intégralChokbunpiam, Tadija, Rungroi Chanajaree, Oraphan Saengsawang, Siegfried Fritzsche, Christian Chmelik, Wolfhard Janke, Jürgen Caro, Tawun Remsungnen et Supot Hannongbua. « Diffusion and adsorption of N 2 and C 2 H 6 in ZIF-8 MD and MC simulations ». Diffusion fundamentals 20 (2013) 47, S. 1-2, 2013. https://ul.qucosa.de/id/qucosa%3A13619.
Texte intégralZAFFARONI, LENNY. « Production of recombinant human MD-2 and development of protein-ligand binding assays for the characterization of new TLR4 modulators ». Doctoral thesis, Università degli Studi di Milano-Bicocca, 2018. http://hdl.handle.net/10281/207343.
Texte intégralToll-like receptor 4 (TLR4) represents a central mediator of innate and adaptive immune responses in mammals. TLR4 activation in response to bacterial lipopolysaccharides (LPS) results in the rapid triggering of pro-inflammatory processes essential for optimal host immune responses. TLR4 activation mediated by LPS is a complex event which involves several proteins (lipid binding protein (LBP), cluster of differentiation 14 (CD14), and myeloid differentiation 2 (MD-2)) and it ends with the formation of the activated (TLR4/MD-2/LPS)2 complex. The TLR4 co-receptor MD-2 plays an important role in the interaction with LPS and subsequent TLR4 dimerization. MD-2 alone binds to LPS, whereas TLR4 alone does not. MD-2 is the ligand-binding component of the TLR4/MD-2 receptor complex. LPS binding to TLR4/MD-2 induces TLR4 dimerization; whereas TLR4 antagonists binding to TLR4/MD-2 does not induce TLR4 dimerization. Deregulated TLR4 activation is related to an impressively broad spectrum of disorders still lacking specific pharmacological treatment. These include autoimmune disorders, chronic inflammations, allergies, asthma, infectious and central nervous system diseases, cancer, and sepsis. The TLR4 inhibition by small molecules of synthetic and natural origin provides access to new TLR-based therapeutics targeting this large array of diseases. This thesis is part of an original structure-activity relationship (SAR) study on synthetic monosaccharide glycolipids in the context of TLR4 modulation. Thesis work focuses on the in vitro binding characterization of new synthetic monosaccharide glycolipids with the purified receptor MD-2. Pure and functional human MD-2 (hMD-2) protein for binding studies has been obtained by expression in yeast cells. Two different expression systems for the production of recombinant hMD-2 were tested: mammalian (HEK293T) and yeast cells (Pichia pastoris). Recovery of hMD-2 from the medium of yeast cells was optimized, achieving a concentration of recombinant hMD-2 of 30 μM. An ELISA was developed in order to compare the biological activity of the hMD-2 expressed in different hosts. hMD-2 from mammalian cells obtained the highest biological activity, followed by the hMD-2 expressed by P. pastoris. hMD-2 expressed by E. coli presented the lowest biological activity of the three. Due to the higher yield of recovery achieved, hMD-2 expressed in P. pastoris was used in four different types of binding experiments to assess its affinity for natural and synthetic molecules. The binding tests comprise two plate based ELISA with immobilized hMD-2, a fluorescence displacement assay and surface plasmon resonance (SPR) measurements. The two ELISA tests were based on: i) dose-dependent displacement of a monoclonal antibody from immobilized hMD-2. The antibody binds to hMD-2 in a region proximal to ligand binding site; ii) displacement of biotin-LPS from immobilized hMD-2. The fluorescence experiment was based on the displacement of the bis-ANS from hMD-2, whereas the SPR technique was used to study the direct interactions between small ligands and immobilized hMD-2. The obtained binding affinities for hMD-2 of the tested molecules (which turned out to be in the low μM range) mirror their biological activity in modulating TLR4 signaling and cytokine production in vitro in cell models. The results obtained from these in vitro cell-free studies indicate that the tested molecules bind to the hMD-2 pocket, with differences in the affinity values. These data allow a systematic study on SAR for TLR4 modulators, opening the way for the development of a new generation of drug hits and leads targeting directly TLR4 signaling.
Aguiar, Carla Carvalho de. « Caracterização da dinâmica da complexação do receptor tipo Toll 4 humano a MD-2 ». reponame:Biblioteca Digital de Teses e Dissertações da UFRGS, 2013. http://hdl.handle.net/10183/117886.
Texte intégralToll-like receptors (TLRs) play an important role in innate immunity recognizing pathogen-associated molecular patterns (PAMPs), as also damageassociated molecular patterns (DAMPs), released after cellular injury or stress. Human Toll-Like Receptor 4 (hTLR4) and its co-receptor, myeloid differentiation factor 2 (MD-2), as a heterodimer, is a well-known complex of Gram-negative bacteria lipopolysaccharide (LPS) recognition. In this process, MD-2 recognizes LPS and promotes the dimerization of the complex hTLR4 - MD-2 - LPS, initiating an intracellular immune signaling. Moreover, it has been reported that hTLR4 can also act in the absence of MD-2, in the case of other ligands recognition, and, in these cases, little is known about the structural and conformational changes that hTLR4 structure underwent. In the current study, employing molecular dynamics simulations, we had explored the dynamical properties of the hTLR4 - MD-2 complex and investigated the implications of the co-receptor complexation to the structural biology of hTR4. We observed that the receptor showed a tweezers-like movement, leading to a more oppened final state of its horseshoe-shaped structure. Additionally, the stability of this structure seems to be influenced by the presence of the co-receptor, MD-2.
McBride, Daniel S. « Lie to Me : Malingered Depression on the MMPI-2 ». OpenSIUC, 2011. https://opensiuc.lib.siu.edu/theses/684.
Texte intégralEisenhauer, Kirstin Diana [Verfasser], Klaus [Gutachter] Gerwert et Christian [Gutachter] Herrmann. « MD-Simulationen zur Aufklärung des molekularen Reaktionsmechanismus von Channelrhodopsin-2 / Kirstin Diana Eisenhauer. Gutachter : Klaus Gerwert ; Christian Herrmann ». Bochum : Ruhr-Universität Bochum, 2016. http://d-nb.info/1112326693/34.
Texte intégralOrbegoso, Pandal Carlos José. « Caracterización y calibración de películas radiocrómicas MD-55-2 y su utilización en la dosimetría de braquiterapia ocular ». Bachelor's thesis, Universidad Nacional Mayor de San Marcos, 2016. https://hdl.handle.net/20.500.12672/5986.
Texte intégralTesis
Eisenhauer, Kirstin [Verfasser], Klaus [Gutachter] Gerwert et Christian [Gutachter] Herrmann. « MD-Simulationen zur Aufklärung des molekularen Reaktionsmechanismus von Channelrhodopsin-2 / Kirstin Diana Eisenhauer. Gutachter : Klaus Gerwert ; Christian Herrmann ». Bochum : Ruhr-Universität Bochum, 2016. http://d-nb.info/1112326693/34.
Texte intégralSilva, Vânia Maria Barboza da. « Características de composição química e atividades da Peroxidase e da Polifenoloxidase dos cultivares de abacaxi MD-2 e Pérola ». Universidade Federal da Paraíba, 2012. http://tede.biblioteca.ufpb.br:8080/handle/tede/4053.
Texte intégralCoordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES
Pineapple is a fruit widely appreciated as fresh fruit. But its chemical composition varies widely between different cultivars. This study evaluated the content of some chemical components and the activity of peroxidase and polyphenoloxidase in pineapple MD-2 and Pearl mature, comparing them with each other. The chemical components of two cultivars analyzed showed that, statistically, the Soluble Solids and Titratable Total Acidity showed higher values than MD-2 pineapple pineapples in Pearl, possibly explaining the latter being more appreciated as fresh fruit by locals while the MD-2 pineapples are more accepted for export. The optimum pH and temperature for the peroxidase activity of MD-2 pineapples were pH 5.0 at 40 ° C and less favorable pH found in this study form. In pineapples Pearl optimal conditions recorded were 50 ° C and pH 5.5 and less favorable 40 º C and pH 6.0. At 30 ° C the specific activity was recorded 3.69 and 3.92 U mg protein-1 for pineapples and Pearl MD-2, respectively. The natural pH of 3.23 MD-2 and 3.59 pH of Pearl were statistically different between the cultivars did not differ tannins and content of L-ascorbic acid was significantly higher in Pearl pineapples. However, the peroxidase activity was significantly higher in Pearl, that the MD-2 and therefore the MD-2 deterioradora less subject to the action of this enzyme.
O abacaxi é uma fruta amplamente apreciada como fruta fresca. Mas sua composição química apresenta grande variação entre cultivares distintas. Este trabalho avaliou o teor de alguns componentes químicos e a atividade da peroxidase e polifenoloxidase nos abacaxis MD-2 e Pérola maduros, comparando-os entre si. Os componentes químicos das duas cultivares analisadas demonstraram que, estatisticamente, os teores de Sólidos Solúveis e Acidez Total Titulável apresentaram valores maiores em abacaxis MD-2 que em abacaxis Pérola; possivelmente, o que explica estes últimos serem mais apreciados como fruta fresca pela população local, enquanto os abacaxis MD-2 são mais aceitos para fins de exportação. As condições ótimas de pH e temperatura para a atividade da peroxidase de abacaxis MD-2 foram pH 5,0 a 40°C e as menos favoráveis encontrados neste estudo forma pH. Em abacaxis Pérola as condições ótimas registradas foram 50ºC e pH 5,5 e as menos favoráveis 40ºC e pH 6,0. À temperatura de 30°C a atividade específica registrada foi 3,69 e 3,92 U·mg Proteína-1 para os abacaxis MD-2 e Pérola, respectivamente. O pH 3,23 natural do MD-2 e o pH 3,59 do Pérola foram estatisticamente diferentes entre os cultivares, taninos não diferiram e o teor de ácido L-ascórbico foi significativamente superior em abacaxis Pérola. Contudo, a atividade da peroxidase foi significativamente maior no Pérola, que no MD-2, sendo, portanto o MD-2 menos sujeito à ação deterioradora desta enzima.
Richard, Manuel. « Analyse de la composition élémentaire de Pecten maximus par HR-ICP-MD Element 2 : développements méthodologiques et interprétations écologiques ». Brest, 2009. http://www.theses.fr/2009BRES2031.
Texte intégralThe elemental composition of bivalve shells is already considered, by international scientific community, as a promising tool to record environmental parameters like sea surface temperature, salinity and primary productivity. The aim of this work was to develop an analytical method on the high-resolution inductively coupled plasma-mass spectrometry (HR-ICP. MS, Finnigan Element 2) to demonstrate a quantitative detection of trace element in biocarbonates matrices (CaCO3). Two methods (LA-ICP-MS, Solution Based ICP-MS) has been developed to drawn ontogenetic profiles of elemental ratios with a 3-day temporal resolution. Element profiles obtained on the same left valve of P. Maximus by the two methods were reproducible whatever the concentrations and whatever the ribs selected on the valve. The variations of two specific element traces (Mo, Li) in P. Maximus shells were discussed. Mo concentration is characterised by a background level within sharp episodic peaks occurring in spring (may). Explanation hypothesis are discussed but the most probable is the ingestion of phytoplankton cells grown upon N03- (which have a large Mo concentration associated to the activity of nitrate reductase). Some populations of P. Maximus present sharp episodic Li peaks in the growth period. This study illustrate that there is no direct relationship between environmental parameters (salinity, temperature, water composition of Li, nitrates. . . ) and Li peaks, but Li enrichment still may be related to blooms of specific species of phytoplancton. In addition, we found that the background profile of Li seems to be mainly controlled by the growth rate
CIGHETTI, ROBERTO. « Design, synthesis and biological characterization of new small-molecule TLR4 modulators ». Doctoral thesis, Università degli Studi di Milano-Bicocca, 2014. http://hdl.handle.net/10281/50753.
Texte intégralActivation of Toll-like receptor 4 (TLR4) and subsequent intracellular signaling in response to minute amounts of circulating endotoxins (Gram-negative bacterial lipopolysaccharides, LPS), results in the rapid triggering of proinflammatory processes necessary for optimal host immune responses to invading Gram-negative bacteria in mammalians. TLR4 does not bind directly to LPS, and TLR4 activation by endotoxin is a complex event, involving the participation of other LPS-binding proteins — namely LBP, CD14, and MD-2 — and ending with the formation of the activated (TLR4•MD-2•LPS)2 complex. In particular, CD14 was the first identified Pattern Recognition Receptor (PRR) that binds directly to LPS, and chaperones the formation of the (TLR4•MD-2•LPS)2 complex. CD14 is also required for endotoxin-induced TLR4 endocytosis and relocalization of the entire LPS receptor complex into the endosome, where a second signaling pathway initiates. Excessively potent and deregulated TLR4 activation and signaling causes severe syndromes such as septic shock, associated with a high mortality (50–70%), and organ-specific damages. Efficient and selective TLR4 antagonists with chemical structures simpler than that of lipid A are therefore required for the development of potential new drugs with a wide array of medical and pharmacological applications (from sepsis to CNS pathologies). In this thesis, the synthesis of three monosaccharide LPS mimetics based on a glucosamine core linked to two fatty acid chains and bearing one or two phosphate groups is described. Two of them, each with one phosphate group, resulted quite active in inhibiting LPS-induced TLR4 signaling and cytokine production in HEK-Blue™ cells and murine macrophages. The compound with two phosphate groups, however, was found to be more active in efficiently inhibiting TLR4 signal in both cell types. The direct interaction between this compound and the MD-2 receptor was investigated by NMR spectroscopy and molecular modeling/docking analysis. This compound also interacts directly with the CD14 receptor, stimulating its internalization by endocytosis. The dual targeting of MD-2 and CD14, accompanied by good solubility in water and lack of toxicity, suggests the use of monosaccharide 3 as a lead compound for the development of drugs directed against TLR4-related syndromes. A derivatization of this compound was also started in order to couple it to a fluorescent moiety or to a Gadolinium-chelating agent, for microscopy and MRI studies respectively.
Pezzotti, Simone. « DFT-MD simulations and theoretical SFG spectroscopy to characterize H-Bonded networks at aqueous interfaces : from hydrophobic to hydrophilic environments Structural definition of the BIL and DL : a new universal methodology to rationalize non-linear χ(2)(ω) SFG signals at charged interfaces, including χ(3)(ω) contributions What the Diffuse Layer (DL) Reveals in Non-Linear SFG Spectroscopy 2D H-Bond Network as the Topmost Skin to the Air-Water Interface Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface 2D-HB-Network at the air-water interface : A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations Spectroscopic BIL-SFG Invariance Hides the Chaotropic Effect of Protons at the Air-Water Interface Molecular hydrophobicity at a macroscopically hydrophilic surface Graph theory for automatic structural recognition in molecular dynamics simulations DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment ». Thesis, Université Paris-Saclay (ComUE), 2019. http://www.theses.fr/2019SACLE008.
Texte intégralImproving our knowledge on water H-Bonded networks formed in the special environment offered by an interface is pivotal for our understanding of many natural phenomena and technological applications. To reveal the interfacial water arrangement, techniques able to provide detailed microscopic information selectively for the interfacial layer are required. In the present thesis work, we have hence investigated aqueous interfaces at the molecular level, by coupling theoretical modeling from DFT-MD simulations with SFG & THz-IR spectroscopies. By developing new investigation protocols/tools, coupling DFT-MD simulations and SFG spectroscopy, in particular for the more complex rationalization of charged interfaces, we have provided a global comprehension of the effect of various interfacial conditions (hydrophilicity, pH, ionic strength) on the HB-Network formed in the interfacial layer (BIL), on its spectroscopic signatures and on its impact on physico-chemical properties. We have shown for the first time that, in sufficiently hydrophobic conditions, BIL interfacial water creates special 2-Dimensional HB-Networks, experimentally revealed by one specific THz-IR marker band. Such 2D-network dictates HBs and orientational dynamics of interfacial water, surface potential, surface acidity, water surface tension and thermodynamics of hydration of hydrophobic solutes. Such "horizontal ordering” of water at hydrophobic interfaces is found opposite to the “vertical ordering” of water at hydrophilic interfaces, while coexistence of the two orders leads to disordered interfacial water in intermediate hydrophilic/hydrophobic conditions. Both DFT-MD and SFG further revealed how ions & pH conditions alter these BIL-water orders
Ensor, Lael J. « Decoration in early Qur'an manuscripts : A close look at the Walters Art Museum's W.554 ». Access to citation, abstract and download form provided by ProQuest Information and Learning Company ; downloadable PDF file, 56 p, 2009. http://proquest.umi.com/pqdweb?did=1885754571&sid=3&Fmt=2&clientId=8331&RQT=309&VName=PQD.
Texte intégralDurán, Alcaide Ángel. « Development of high-performance algorithms for a new generation of versatile molecular descriptors. The Pentacle software ». Doctoral thesis, Universitat Pompeu Fabra, 2010. http://hdl.handle.net/10803/7201.
Texte intégralEl trabajo que se presenta en esta tesis se ha centrado en el desarrollo de algoritmos de altas prestaciones para la obtención de una nueva generación de descriptores moleculares, con numerosas ventajas con respecto a sus predecesores, adecuados para diversas aplicaciones en el área del diseño de fármacos, y en su implementación en un programa científico de calidad comercial (Pentacle). Inicialmente se desarrolló un nuevo algoritmo de discretización de campos de interacción molecular (AMANDA) que permite extraer eficientemente las regiones de máximo interés. Este algoritmo fue incorporado en una nueva generación de descriptores moleculares independientes del alineamiento, denominados GRIND-2. La rapidez y eficiencia del nuevo algoritmo permitieron aplicar estos descriptores en cribados virtuales. Por último, se puso a punto un nuevo algoritmo de codificación independiente de alineamiento (CLACC) que permite obtener modelos cuantitativos de relación estructura-actividad con mejor capacidad predictiva y mucho más fáciles de interpretar que los obtenidos con otros métodos.
Galaczová, Barbora. « Bezpečnost a použitelnost základních hashovacích funkcí, zejména MD-5, SHA-1 a SHA-2 ». Master's thesis, 2011. http://www.nusl.cz/ntk/nusl-313898.
Texte intégralPLCHOVÁ, Jana. « Differential expression of tick Ixodes ricinus genes induced by blood feeding or infection : genetic analysis of ML domain containing proteins ». Doctoral thesis, 2012. http://www.nusl.cz/ntk/nusl-110457.
Texte intégralBabych, Kateryna. « Deciphering the effects of metal-based drugs on cell signaling pathways in cancer cells ». Master's thesis, 2019. http://hdl.handle.net/10400.1/13998.
Texte intégralO termo „cancro‟ abrange um largo número de doenças, que são caracterizadas pelo desenvolvimento anormal de células que se dividem, crescem e propagam-se de forma descontrolada por todo o organismo, propagando-se através do sangue ou dos vasos linfáticos para os tecidos vizinhos. A quimioterapia é um tipo de tratamento anticancerígeno, que tem por base o uso de fármacos que atuam por parar ou por diminuir o crescimento de células cancerígenas, células que se dividem anormalmente causando tumores. Na maioria dos casos, ao prescrever um fármaco específico, o uso combinado de dois ou mais fármacos é preferencial, sendo que não deve haver nenhum tipo de interação entre os mesmos, quer no mecanismo de ação e/ou metabolismo, quer na eliminação. A segunda e a terceira geração de fármacos existentes, mostraram um aumento da bioatividade contra o cancro, contudo, os efeitos secundários continuam a ser uma grande preocupação. Estudos recentes têm demonstrado um interesse significativo em fármacos com compostos metálicos, sendo que alguns destes fármacos já são usados como agentes antitumorais, com eficácia e menos efeitos secundários comprovados, comparativamente com outros fármacos. O Cobre (II), tanto como metal, tanto complexado com vários compostos orgânicos, mostrou ter atividade citotóxica a baixas concentrações. O objetivo desde trabalho é analisar, em linhas celulares humanas, os efeitos de complexos de cobre recentemente sintetizados, tanto em termos de citotoxicidade como em termos de mecanismo de ação. Neste trabalho de investigação, dois compostos com base no cobre (II), (cobre(II)-tropolone) e cobra(II)-hinokitiol complexos), foram observados e avaliados quanto às suas propriedade citotóxicas, e testados na linha celular humana de cancro da mama MCF7 e MDA-MB-231, quanto ao seu efeito na viabilidade, no stress oxidativo, na apoptose e na interação com o DNA. Adicionalmente, como modelo para estudos in vivo, foi conduzido um teste modelo 3D quanto à viabilidade, onde foram observados resultados positivos contra a linha celular MCF7 sobrevivente. Simultaneamente, foi realizada uma análise comparativa dos complexos sintetizados, dos seus ligandos e do sal de cobre. Estes compostos mostraram resultados promissores com efeitos potenciais como fármacos antitumorais.
Burgess, Maureen Rush. « The cup of ruin and desolation seventeenth-century witchcraft in the Chesapeake / ». Thesis, 2004. http://proquest.umi.com/pqdweb?index=0&did=775162921&SrchMode=1&sid=1&Fmt=2&VInst=PROD&VType=PQD&RQT=309&VName=PQD&TS=1233782239&clientId=23440.
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