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Dissertations / Theses on the topic 'Chemical structure/activite relationship'

Author: Grafiati

Published: 4 June 2021

Last updated: 9 February 2022

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1

Yadav, Barkha J. "UNDERSTANDING STRUCTURE-ACTIVITY RELATIONSHIP OF SYNTHETIC CATHINONES (BATH SALTS) UTILIZING METHYLPHENIDATE." VCU Scholars Compass, 2019. https://scholarscompass.vcu.edu/etd/5955.

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Synthetic cathinones are stimulant drugs of abuse that act at monoamine transporters e.g. the dopamine transporter (DAT) as releasing agents or as reuptake inhibitors. More than >150 new synthetic cathinones have emerged on the clandestine market and have attracted considerable attention from the medical and law enforcement communities. threo-Methylphenidate (tMP) is an FDA approved drug for the treatment of ADHD and narcolepsy, which also acts as a DAT reuptake inhibitor and is widely abused. tMP and synthetic cathinones share some structural similarities and extensive structure-activity rela

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2

Morisse, Clément. "The structure/activity relationship of nitrobenzene hydrogenation over Pd/alumina catalysts." Thesis, University of Glasgow, 2015. http://theses.gla.ac.uk/6384/.

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The hydrogenation of nitrobenzene to form aniline is a large-scale industrial process performed using a variety of heterogeneous catalysts. One variant of the process involves the application of alumina-supported Pd catalysts. Although several 0.3 wt% Pd/alumina formulations exhibit high aniline selectivity (ca. 98%), different grades of these catalysts favour different impurities. It is observed that the impurities arise from different reaction pathways depending on the provenance of the catalyst. In order to investigate whether the origins of impurity formation are connected to catalyst stru

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3

Sterby, Mia. "Dissecting the Structure-Activity Relationship of Hairpinin, a Plant Derived Antimicrobial Peptide." Thesis, Uppsala universitet, Avdelningen för farmakognosi, 2014. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-226582.

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Antibiotic resistance is a growing health issue that necessitates development of alternative drugs with antimicrobial properties. Antimicrobial peptides are a promising group of compounds in this respect and are used by all varieties of living organisms to defend against invading or competing organisms. Hairpinin is an antimicrobial peptide isolated from Echinochloa crus-galli that has previously been found to have antifungal activity. In this study, truncated variants of hairpinin were synthesized and their antifungal activity tested against Candida albicans, Aspergillus fumigatus, and Saccha

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4

Wang, Fang. "Chlorine Contribution to Quantitative Structure and Activity Relationship Models of Disinfection By-Products' Quantum Chemical Descriptors and Toxicities." FIU Digital Commons, 2009. http://digitalcommons.fiu.edu/etd/174.

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Quantitative Structure-Activity Relationship (QSAR) has been applied extensively in predicting toxicity of Disinfection By-Products (DBPs) in drinking water. Among many toxicological properties, acute and chronic toxicities of DBPs have been widely used in health risk assessment of DBPs. These toxicities are correlated with molecular properties, which are usually correlated with molecular descriptors. The primary goals of this thesis are: 1) to investigate the effects of molecular descriptors (e.g., chlorine number) on molecular properties such as energy of the lowest unoccupied molecular orbi

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5

Wang, Shaomeng. "Quantitative structure activity relationship study of anti-Mycobacterium avium agents and the calculation of some physico-chemical properties of organic compounds." Case Western Reserve University School of Graduate Studies / OhioLINK, 1993. http://rave.ohiolink.edu/etdc/view?acc_num=case1056656561.

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6

Fraser, Rebecca Dawn. "Isolation of natural product inhibitors and synthesis of inhibitors of signal transduction : Part II structure-activity relationship for a series of glycosidase inhibitors." Diss., Georgia Institute of Technology, 1993. http://hdl.handle.net/1853/30508.

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7

Dimayuga, Mario Arnulfo De Leon. "Structure-activity relationship studies of biological activities of chemicals." Case Western Reserve University School of Graduate Studies / OhioLINK, 1991. http://rave.ohiolink.edu/etdc/view?acc_num=case1055532031.

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8

Baldasare, Corey Adam. "Quantum Chemical pK_a Estimation of Carbon Acids, Saturated Alcohols, and Ketones via Quantitative Structure-Activity Relationships." Wright State University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=wright1598550823525731.

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9

Vialle, Émilie. "Réactivité des polyéthers ionophores et des coumarines : vers des systèmes moléculaires efficaces pour la santé animale." Phd thesis, Université Claude Bernard - Lyon I, 2011. http://tel.archives-ouvertes.fr/tel-00867741.

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L'objectif de cette thèse, réalisée en collaboration avec la société Mérial, concerne la santé animale et s'oriente vers la synthèse de molécules actives à visée préventive ou thérapeutique. Deux sujets distincts sont abordés. Dans un premier temps, le but recherché est la synthèse d'une série de molécules présentant une activité anti-coccidienne pour le traitement préventif des poulets. Quarante-trois composés originaux, issus d'une synthèse courte à deux ou trois étapes, ont été préparés par hémi-synthèse de la monensine. Quinze molécules ont été testées in vitro et trois d'entre elles montr

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10

Klimenko, Kyrylo. "Computer-aided drug design of broad-spectrum antiviral compounds." Thesis, Strasbourg, 2017. http://www.theses.fr/2017STRAF008/document.

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De nouveaux antiviraux à large spectre, agissant comme intercalant d'acides nucléiques, ont été identifiés par criblage virtuel et grâce à des cartes de l’espace chimique. La 1ère partie de la thèse présente le modèle QSPR pour la solubilité aqueuse des molécules organiques dans une grande gamme de températures. Ce modèle a été utilisé pour l'évaluation de la solubilité des composés antiviraux. Dans la 2ème partie de cette thèse, les filtres structuraux, les modèles QSAR et pharmacophores sont présentés. Leur utilisation pour cribler une base de données contenant plus de 3,2 M de composés est

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11

Engelmann, Fabio Monaro. "Derivados porfirínicos como fotossensibilizadores para terapia fotodinâmica." Universidade de São Paulo, 2005. http://www.teses.usp.br/teses/disponiveis/46/46134/tde-26102007-161447/.

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Nesta tese serão discutidos alguns aspectos químicos, fotoquímicos e fotofísicos importantes no desenvolvimento de fotossensibilizadores para aplicação em terapia fotodinâmica (TFD). Os estudos abrangeram a investigação de 29 espécies, sendo que 20 delas continham um anel porfirínico convencional e 9 eram porfirinas duplamente N-confusas. As primeiras foram sintetizadas para apresentarem diferentes números e tipos de substituintes catiônicos coordenados à posição meso do anel porfirínico, mais especificamente as meso(N-4-piridil)fenilporfirinas e as meso(N-3-piridil)fenilporfirinas contendo um

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12

Jing, Pu. "Purple corn anthocyanins chemical structure, chemoprotective activity and structure/function relationships /." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1155738398.

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13

Andersson, Patrik. "Physico-chemical characteristics and quantitative structure-activity relationships of PCBs." Doctoral thesis, Umeå University, Chemistry, 2000. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-17.

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<p>The polychlorinated biphenyls (PCBs) comprise a group of 209 congeners varying in the number of chlorine atoms and substitution patterns. These compounds tend to be biomagnified in foodwebs and have been shown to induce an array of effects in exposed organisms. The structural characteristics of the PCBs influence their potency as well as mechanism of action. In order to assess the biological potency of these compounds a multi-step quantitative structure-activity relationship (QSAR) procedure was used in the project described in this thesis.</p><p>The ultraviolet absorption (UV) spectra were

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14

Gooch, Carolyn A. "Quantitative structure-activity relationships : a biophysical, chemical and calorimetric study." Thesis, Royal Holloway, University of London, 1988. http://repository.royalholloway.ac.uk/items/26719d55-b208-4995-bef0-92e4f0f80c0e/1/.

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Quantitative structure-activity relationships (QSAR) rationalize interrelation between molecular structure and biological response in terms of either physicochemical parameters, as in linear free energy relationships (LFER), or via purely empirical parameters, as is the case for De Novo schemes. In LFER the leading process is often the partitioning of a compound between two solvent phases, taken to represent the transfer of a drug molecule across a biological membrane. This study has investigated the partitioning behaviour of three series of hydroxybenzoate esters, viz. o-, m- and predominantl

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15

Yang, Emma. "Chemical, metabolic and structure-activity relationships to probe abacavir toxicity." Thesis, University of Liverpool, 2014. http://livrepository.liverpool.ac.uk/2008286/.

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Adverse drug reactions (ADRs) are responsible for an increasing number of hospitalised patients, with the large majority of these ADRs classed as either type A or type B. Drug hypersensitivity reactions fall within the type B category and one such drug responsible for this form of ADR is abacavir (ABC). ABC, a nucleoside reverse transcriptase inhibitor, is used to treat the HIV-1 virus. It is responsible for a potentially life-threatening type IV hypersensitivity reaction which occurs in patients bearing the HLA-B*57:01 allele. Although many mechanisms have been proposed, it was the objective

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16

Godavarti, Ranganathan S. "Protein engineering of Heparinase I : elucidation of structure-activity relationships." Thesis, Massachusetts Institute of Technology, 1996. http://hdl.handle.net/1721.1/40208.

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17

Kayastha, Shilva. "New methods of multiscale chemical space analysis : visualization of structure-activity relationships and structural pattern extraction." Thesis, Strasbourg, 2017. http://www.theses.fr/2017STRAF042/document.

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Cette thèse est dédiée à l’analyse systématique de l’espace chimique, et des relations structure-activité (SAR) en particulier. L’ouvrage présente des nouveaux protocoles d’analyse combinant des méthodes classiques et originales, dans le but d’analyser les SAR à l’échelle globale ainsi que locale. L’analyse globale des espaces chimiques repose sur la recherche des motifs structuraux privilégiés par cartographie topographique générative (GTM), ainsi que par analyse classique des « châssis » moléculaires. La cartographie a été ensuite couplée avec l’analyse de réseaux chimiques (CSN), permettant

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18

Chen, Jonathan Jun Feng. "Data Mining/Machine Learning Techniques for Drug Discovery: Computational and Experimental Pipeline Development." University of Akron / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=akron1524661027035591.

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19

Larsson, Malin. "Computational methods for analyzing dioxin-like compounds and identifying potential aryl hydrocarbon receptor ligands : multivariate studies based on human and rodent in vitro data." Doctoral thesis, Umeå universitet, Kemiska institutionen, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-139487.

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Polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) are omnipresent and persistent environmental pollutants. In particular, 29 congeners are of special concern, and these are usually referred to as dioxin-like compounds (DLCs). In the European Union, the risks associated with DLCs in food products are estimated by a weighted sum of the DLCs’ concentrations. These weights, also called toxic equivalency factors (TEFs), compare the DLCs’ potencies to the most toxic congener, 2,3,7,8-tetrachloro-dibenzo-p-dioxin (2378- TCDD). The toxicological effects of

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20

Mwense, Mulaisho. "Toxicity prediction of mixtures of organic chemicals using quantitative structure-activity relationships." Thesis, University of Leeds, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.418230.

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21

Blaise, Emilie. "Contribution à l'étude chimique et pharmacochimique de dérivés mono- bi- et tricycliques de pyridazines." Thesis, Strasbourg, 2014. http://www.theses.fr/2014STRAF018/document.

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La protéine kinase DYRK1A fait partie du groupe des CMGC kinases et est impliquée dans divers processus neurodégénératifs tels que la maladie d’Alzheimer.Dans ce cadre, une étude topologique a été menée autour d’un hit imidazo[1,2-B]pyridazine identifié par un criblage biologique. Ce composé a servi à concevoir des inhibiteurs ATP-Compétitifs de DYRK1A par l’utilisation de méthodes métallo-Catalysées (Pd, Cu) pour introduire divers fragments fonctionnalisés.Sur les soixante dérivés imidazo[1,2-X]azine synthétisés, sept composés ont montré une affinité nanomolaire pour DYRK1A (IC50 = 41-130 nM)

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22

Hedner, Erik. "Bioactive Compounds in the Chemical Defence of Marine Sponges : Structure-Activity Relationships and Pharmacological Targets." Doctoral thesis, Uppsala University, Division of Pharmacognosy, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-8218.

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<p>Marine invertebrates, in particular sponges, represent a source of a wide range of secondary metabolites, many of which have been attributed various defensive capabilities against environmental stress factors. In this thesis sponge-derived low-molecular peptide-like compounds and associated analogs are investigated for bioactivity and pharmacological targets. </p><p>The compound bromobenzisoxazolone barettin (cyclo[(6-bromo-8-(6-bromo-benzioxazol -3(1H)-one)-8-hydroxy)tryptophan)]arginine) was isolated from the sponge <i>Geodia barretti</i> and its ability to inhibit larval settlement of th

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23

Chilcott, Neil Patrick. "Structure-activity relationships in glucosinolates as oviposition stimulants of the cabbage root fly, Delia radicum (L.)." Thesis, University of Plymouth, 1997. http://hdl.handle.net/10026.1/2595.

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A statistically sound and quantifiable bioassay procedure was developed for determining the response of adult Delia radicum to oviposition stimulants. The method was based on the use of surrogate leaves coated with test compounds. All of the test compounds were of purity 99% or greater. Twelve of the tested compounds were synthesised the remaining twenty four were either donated or available commercially. Attempts to follow literature methods to synthesise glucosinolates were unsatisfactory and an investigation of the procedures led to a number of synthetic modifications. Despite various attem

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24

Davies, Rachel A. "Structure-Activity Relationship Studies of Synthetic Cathinones and Related Agents." VCU Scholars Compass, 2019. https://scholarscompass.vcu.edu/etd/5953.

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Synthetic cathinones and related agents represent an international drug abuse problem, and at the same time an important class of clinically useful compounds. Structure-activity relationship studies are needed to elucidate molecular features underlying the pharmacology of these agents. Illicit methcathinone (i.e., MCAT), the prototype of the synthetic cathinone class, exists as a racemic mixture. Though the differences in potency and target selectivity between the positional and optical isomers of synthetic cathinones and related agents have been demonstrated to have important implications for

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25

Tetteh, John. "Enhanced target factor analysis and radial basis function neural networks for analytical spectroscopy and quantitative structure activity relationships." Thesis, University of Greenwich, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.363872.

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26

Martens, Thierry. "Comportement physico-chimique de dithiolel, 2 thiones-3 : relation structure- activite antibilharzienne." Paris 6, 1988. http://www.theses.fr/1988PA066397.

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La reduction electrochimique de (pyradinyl-2)-5- ou (pyridyl-2)-5 methyl-4 dithiole-1,2 thiones-3 est etudiee; elle conduit a des pyrrolo (1,2-a) pyrazines, ou des indolizines respectivement. Des hypotheses sont proposees pour expliquer l'activite anthelminthique des composes du titre

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27

Stenberg, Mia. "In silico tools in risk assessment : of industrial chemicals in general and non-dioxin-like PCBs in particular." Doctoral thesis, Umeå universitet, Kemiska institutionen, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-50609.

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Industrial chemicals in European Union produced or imported in volumes above 1 tonne annually, necessitate a registration within REACH. A common problem, concerning these chemicals, is deficient information and lack of data for assessing the hazards posed to human health and the environment. Animal studies for the type of toxicological information needed are both expensive and time consuming, and to that an ethical aspect is added. Alternative methods to animal testing are thereby requested. REACH have called for an increased use of in silico tools for non-testing data as structure-activity re

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28

Kim, Seungoh 1966. "A criterion for gross melt fracture of polyolefins and its relationship with molecular structure /." Thesis, McGill University, 2000. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=36815.

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In polymer extrusion, a melt instability called gross melt fracture is often observed when the extrusion rate is increased beyond a critical value. Because gross melt fracture limits the production rate, much attention has been devoted to predicting when it will occur. However, there is still no general understanding of the origin of this phenomenon. Several criteria have been proposed for the onset of gross melt fracture (OGMF), but these depend on the procedure used for measuring them and thus are not material properties. The use of a critical extensional stress (CES) is proposed here as a c

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29

Wilson, Lois Kathryn. "A probe of the rotenone-piericidin a-amytal binding site of NADH-coenzyme Q reductbase by structure-activity relationships between the new natural benzofuran inhibitor hydroxytremetone and related ben." Thesis, Georgia Institute of Technology, 1989. http://hdl.handle.net/1853/26005.

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30

Steen, William A. "Relationship between structure and ion intercalation properties in nickel hexacyanoferrate /." Thesis, Connect to this title online; UW restricted, 2002. http://hdl.handle.net/1773/9841.

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31

Pernollet, Martine. "Modification de l'antigène toxine tétanique par des radicaux libres oxygénés et par des protéines à activité peptidyl-prolyl cis-trans isomérase : influence sur sa présentation à des lymphocytes T spécifiques." Université Joseph Fourier (Grenoble ; 1971-2015), 1994. http://www.theses.fr/1994GRE10238.

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L'influence du radical libre oxygene, le radical hydroxyle (oh) et des proteines a activite peptidyl-prolyl cis-trans isomerase sur le traitement de l'antigene toxine tetanique par des cellules presentatrices d'antigenes (lymphocytes b) a ete etudiee. En ce qui concerne le radical hydroxyle, sa production par des cellules de type macrophagique a ete reproduite a l'aide d'un systeme chimique. La toxine tetanique traitee par le radical oh subit un changement de conformation, et des liaisons bityrosine intramoleculaires resistantes a la proteolyse sont formees. La toxine ainsi modifiee est plus r

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32

Yin, Hong. "Kriging model approach to modeling study on relationship between molecular quantitative structures and chemical properties." HKBU Institutional Repository, 2005. http://repository.hkbu.edu.hk/etd_ra/598.

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33

Zhang, Xing-Dong. "Relationship between chemical structure and airway sensitizing potential for organic acid anhydrides an animal model /." Lund : Lund University, 1997. http://catalog.hathitrust.org/api/volumes/oclc/68945069.html.

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34

Feve, Marie. "Utilisation d'une approche de chimie biologie intégrative dans la recherche de nouvelles molécules actives sur la prolifération et la différenciation des cellules souches cancéreuses." Phd thesis, Université de Strasbourg, 2012. http://tel.archives-ouvertes.fr/tel-00804357.

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Depuis l'émergence du concept de cellules souches cancéreuses (CSC), de telles cellules ont été isolées à partir de diverses tumeurs solides, dont les glioblastomes. Les CSC et les propriétés qui les caractérisent permettent de mieux comprendre l'hétérogénéité tumorale, ainsi que l'agressivité de certaines tumeurs et les récidives après traitement. Avec la mise en évidence des CSC, un nouveau paradigme est apparu dans le domaine de la thérapie anticancéreuse visant à cibler non seulement les cellules de la masse tumorale, mais également les CSC, plus résistantes aux chimio- et radiothérapies,

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35

Pillar-Little, Timothy J. Jr. "CARBON QUANTUM DOTS: BRIDGING THE GAP BETWEEN CHEMICAL STRUCTURE AND MATERIAL PROPERTIES." UKnowledge, 2018. https://uknowledge.uky.edu/chemistry_etds/94.

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Carbon quantum dots (CQDs) are the latest generation of carbon nanomaterials in applications where fullerenes, carbon nanotubes, and graphene are abundantly used. With several attractive properties such as tunable optical property, edge-functionalization, and defect-rich chemical structure, CQDs have the potential to revolutionize optoelectronics, electro- and photocatalysis, and biomedical applications. Chemical modifications through the addition of heteroatoms, chemical reduction, and surface passivation are found to alter the band gap, spectral position, and emission pathways of CQDs. Despi

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36

Ibrahim, Sarah A. "A Structure-Enhancement Relationship and Mechanistic Study of Chemical Enhancers on Human Epidermal Membrane based on Maximum Enhancement Effect (Emax)." University of Cincinnati / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1266598335.

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37

Oriou, Jules. "Synthesis and structure-properties relationship of alternated π-conjugated copolymers". Phd thesis, Université Sciences et Technologies - Bordeaux I, 2013. http://tel.archives-ouvertes.fr/tel-01070649.

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Tout au long du siècle dernier, l'électronique s'est révélé être un progrès technologique majeur, et ses applications sont tellement nombreuses qu'elles ont envahi notre vie de tous les jours. De par leurs propriétés bien spécifiques, les semi-conducteurs organiques représentent une remarquable alternative aux matériaux inorganiques utilisés actuellement. Cependant, leurs propriétés électriques peuvent être limitées, et l'efficacité des dispositifs composés de tels matériaux ne permet pas encore de rivaliser avec ceux basés sur des matériaux inorganiques. Dans ce contexte, ce travail de thèse

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38

Hobocienski, Bryan Christopher. "Locality-Dependent Training and Descriptor Sets for QSAR Modeling." The Ohio State University, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=osu1577716259011585.

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39

FIESCHI, FRANCK. "Etude structure fonction de la nad(p)h : flavine oxydoreductase d'escherichia coli." Université Joseph Fourier (Grenoble), 1996. http://www.theses.fr/1996GRE10168.

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La nad(p)h:flavine reductase (fre) de escherichia coli a ete initialement identifiee comme etant un composant du systeme d'activation de la ribonucleotide reductase d'e. Coli. Freest une proteine monomerique de 26 kda depourvue de groupement prosthetique qui catalyse la reduction de flavines libres en utilisant le nad(p)h comme donneur d'electrons. Ainsi, elle est le prototype d'une nouvelle famille d'enzymes qui utilise les flavines comme substrat et non comme cofacteur. Ce travail de these est consacre a l'etude structure fonction de fre et a l'identification des modifications structurales n

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40

Hillier, Heidi Therese. "How is substrate selectivity in hydride transfer decided in an alcohol dehydrogenase? : Directed evolution of alcohol dehydrogenase A from Rhodococcus ruber DSM 44541 through iterative saturation mutagenesis, a study to understand the structure and function relationship of enzymatic catalysis." Thesis, Uppsala universitet, Biokemi, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-331683.

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41

McLaughlin, Jacob Ryan. "Control of swelling, electrochemical, and elongation properties of photopolymers through the modification of structure." Diss., University of Iowa, 2018. https://ir.uiowa.edu/etd/6205.

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Modifying photopolymer structure on the molecular and nanoscale level permits tailoring materials for use in a wide variety of applications. Understanding the fundamentals behind polymer structure at these levels permits the control of material properties. This work gains insight into the modification of structure on two levels, the nanoscale by use of structure templates and the molecular scale through the modification of polymer network formation. Lyotropic liquid crystals (LLCs) are a type of self-assembling surfactant system, which in combination with photopolymerization can be used to tem

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42

Raminelli, Cristiano. "Estudo da relação quantitativa entre a estrutura química e atividade citotóxica de séries de derivados de bases de Mannich." Universidade de São Paulo, 2001. http://www.teses.usp.br/teses/disponiveis/46/46135/tde-27032019-103221/.

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Bases de Mannich têm sido sintetizadas como pró-fármacos de cetonas α,β-insaturadas, 22, 20 sendo estas importantes no tratamento do câncer. 20 Assim, toma-se de interesse o desenvolvimento de estudos de QSAR envolvendo bases de Mannich com propriedades citotóxicas e/ou anticâncer, contribuindo-se, para o entendimento da(s) interação(ões) destes compostos (agentes alquilantes) no sistema biológico. 40, 5, 36, 53 Neste trabalho, destinado a dissertação de mestrado, foram preparadas e purificadas por métodos triviais descritos na literatura 8 47 duas séries de derivados de bases de Man

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43

VIAL, SARAH. "Caractérisation de la structure en domaines de la prolyl oligopeptidase de Flavobacterium meningosepticum." Université Joseph Fourier (Grenoble), 1998. http://www.theses.fr/1998GRE10054.

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Le travail de cette these a consiste en l'etude de la caracterisation en domaines de la prolyl oligopeptidase (pop) de flavobacterium meningosepticum. Cette proteine appartient a une famille de proteases a serine, differente de celles de la chymotrypsine, de la subtilisine ou de la carboxypeptidase y. La structure tridimensionnelle des prolyl oligopeptidases ainsi que celle des endopeptidases specifiques des residus proline est encore inconnue. Cependant, base sur des analyses de predictions de structures secondaires et de comparaisons de sequences, il a ete suggere que cette famille de protea

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Chevallier, Sylvie. "Relations structure-fonction de l'oligopeptidase proline-spécifique (EC 3. 4. 21. 26) de Flavobacterium meningosepticum." Grenoble 1, 1993. http://www.theses.fr/1993GRE10076.

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L'oligopeptidase proline-specifique (pop) de f. Meningosepticum coupe presque exclusivement du cote c-terminal des prolines et des hydroxyprolines. Le remplacement d'une proline par un acide pipecolique transforme un substrat en un inhibiteur, ce qui confirme la forte stereospecificite de la pop au niveau du sous-site s1. La sequence proteique a ete determinee par sequencage chimique de la pop, et clonage et sequencage de son gene (2115 pb). La pop mature periplasmique comporte 685 residus pour une masse moleculaire de 76784 da et montre des homologies de sequence uniquement avec la pop de cer

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Hegazy, Usama M. "Structure-Function Relationships of Pi Class Glutathione Transferase Studied by Protein Engineering." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis, 2006. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-7146.

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Jover, Modrego Jesús. "Aplicació de la metodologia QSPR al càlcul de propietats de compostos inorgànics i de sistemes multicomponents." Doctoral thesis, Universitat de Barcelona, 2008. http://hdl.handle.net/10803/665934.

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En esta tesis se ha utilizado la metodología QSPR para calcular las propiedades de diferentes compuestos y sistemas complejos que no habían estudiados anteriormente. En concreto, se han establecido modelos que permiten el cálculo de la viscosidad y la tensión superficial, en estado líquido, y la entalpía de formación en fase gas para conjuntos de compuestos organometálicos de fórmula general MRnXm, en la que M puede ser un metal, semimetal o no metal de los grupos 12 al 16 de la tabla periódica; los grupos R corresponden a sustituyentes orgánicos alquílicos, arílicos, etc.; y los ligandos term

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Sauvage, Jean-Paul, and Jean-François Verchère. "Relations structure-stabilité dans les complexes molybdiques et tungstiques des glucides." Rouen, 1993. http://www.theses.fr/1993ROUES030.

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En milieu acide, les glucides (sucres et alditols) forment des complexes anioniques avec les ions molybdate et tungstate. Les constantes de formation de ces complexes ont été déterminées par une méthode potentiométrique originale qui a permis, par ailleurs, de rationaliser le dosage acidimétrique des tungstates. La stabilité de ces complexes dépend de leur structure qui est imposée par la configuration des hydroxyles du ligand. On peut donc espérer différencier des glucides isomères, en les engageant dans des combinaisons chargées, réversibles, de stabilités différentes. L'étude structurale a

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Mlynarczyk, Paul John. "The nature and determination of the dynamic glass transition temperature in polymeric liquids." Kansas State University, 2014. http://hdl.handle.net/2097/17782.

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Master of Science<br>Department of Chemical Engineering<br>Jennifer L. Anthony<br>A polymer has drastically different physical properties above versus below some characteristic temperature. For this reason, the precise identification of this glass transition temperature, T[subscript]g, is critical in evaluating product feasibility for a given application. The objective of this report is to review the behavior of polymers near their T[subscript]g and assess the capability of predicting T[subscript]g using theoretical and empirical models. It was determined that all polymers begin to undergo st

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Ravereau-Delattre, Jennifer. "Étude du vieillissement en milieu chloré de membranes fibres creuses en poly(fluorure de vinylidène) utilisées dans le traitement de l'eau." Thesis, Paris, ENSAM, 2015. http://www.theses.fr/2015ENAM0009/document.

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Les processus de lavage, et plus particulièrement l'utilisation de solutions chlorées, peuvent engendrer une dégradation prématurée des membranes de filtration d'eau. Alors que le marché des technologies membranaires en PVDF est en pleine expansion, peu de travaux portent sur l'étude de leur dégradation sur le long terme. Dans ce contexte, la thèse a porté sur l'étude du vieillissement de membranes de filtration commercialisées en PVDF. Les échantillons sont immergés dans une solution d'hypochlorite de sodium et l'effet du pH sur leur dégradation est approfondi. Les propriétés mécaniques, d'hy

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Estienne, Jacques. "Des halogènes dans les édifices moléculaires étioniques : études cristallographiques, corrélations structure-réactivité, structure-conductivité, modèles structuraux." Aix-Marseille 1, 1986. http://www.theses.fr/1986AIX11001.

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Etude structurale de substances pouvant intervenir en tant que catalyseurs ou conducteurs electriques dans le monde industriel, dans le cadre de trois modeles : modele de l'atome cl mu -ponsteur co::(3) cl(c::(2)f::(3)o::(2))::(3)(so::(4))(c::(4)h::(10)o::(2))::(3) et mn::(4)cl::(4)(c::(2)f::(3)o::(2))::(4)(c::(4)h::(10)o)::(6), modele de l'ion tribromure dans des composes organiques et modele de l'iodure simple (iodures organiques comportant des dications diazoniatricycliques c::(14)h::(28)n::(2)**(2+). 2i**(-) et c::(15)h::(30)n::(2)**(2+). 2i**(-) et de l'ion iodoargentate (ag::(4) i::(8)**

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