Дисертації з теми "Ligand Recognition"
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Baylies, Christian John. "Synthesis of multidentate pyridyl-thiazole ligands and ligand recognition studies." Thesis, University of Huddersfield, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.399824.
Повний текст джерелаHughes, P. J. "Multivalent ligand recognition by pentraxins." Thesis, University College London (University of London), 2016. http://discovery.ucl.ac.uk/1473766/.
Повний текст джерелаMcCleverty, Clare. "Structure-function studies of integrin-ligand recognition." Thesis, University of Leicester, 2001. http://hdl.handle.net/2381/29664.
Повний текст джерелаRoy, Julie. "Ligand recognition by the major urinary protein." Thesis, University of Nottingham, 2012. http://eprints.nottingham.ac.uk/27908/.
Повний текст джерелаCroft, Edward. "Computational analyses of protein-ligand interactions." Thesis, University of York, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.265562.
Повний текст джерелаLind, Ulrika. "Functional analysis of ligand recognition by the glucocorticoid receptor /." Stockholm, 2000. http://diss.kib.ki.se/2000/91-628-4116-5/.
Повний текст джерелаHatherley, Deborah. "Structural basis of ligand recognition by Myeloid Paired Receptors." Thesis, University of Oxford, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.543484.
Повний текст джерелаCostanzi, Elisa. "Structural analysis of molecular recognition and ligand association processes." Doctoral thesis, Università degli studi di Padova, 2018. http://hdl.handle.net/11577/3421838.
Повний текст джерелаIl riconoscimento molecolare è uno step fondamentale nei processi biochimici. Una conoscenza strutturale dettagliata è cruciale per capire meglio i processi in cui sono coinvolti due partner molecolari interagenti e può essere sfruttata in vari campi come il disegno di nuovi assemblamenti sopramolecolari, il disegno razionale di farmaci e l’ingegnerizzazione di enzimi. In questo contesto, ho investigato (prevalentemente tramite cristallografia a raggi x su cristallo singolo) alcuni sistemi proteina-proteina e proteina-ligando per ottenere dettagli strutturali delle interazioni coinvolte, a livello atomico. In primis, il dominio STAS di prestina, una proteina motrice anionidipendente, e la sua interazione con anioni monovalenti e con calmodulina. Poi, l’interazione tra protein chinasi (CDK2 e CK2) e BCL-XL, e inibitori, per il disegno razionale di farmaci specifici nel colpire queste proteine coinvolte in vari tipi di cancro.
Repicky, Sarah Elizabeth. "The Structural Basis for Ligand Recognition by Mouse Odorant Receptors." Scholarly Repository, 2008. http://scholarlyrepository.miami.edu/oa_dissertations/91.
Повний текст джерелаŚledź, Paweł. "Novel biophysical approaches to the study of protein-ligand recognition." Thesis, University of Cambridge, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.610024.
Повний текст джерелаHan, Yaohua. "Quantum Chemical Study of Molecular Recognition in Protein-Ligand Complexes." University of Toledo / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1373313907.
Повний текст джерелаSalmaso, Veronica. "Exploring protein flexibility during docking to investigate ligand-target recognition." Doctoral thesis, Università degli studi di Padova, 2018. http://hdl.handle.net/11577/3421817.
Повний текст джерелаI modelli di riconoscimento ligando-proteina si sono evoluti nel corso degli anni: dal modello chiave-serratura a quello di fit-indotto e selezione conformazionale, il ruolo della flessibilità proteica è diventato via via più importante. Capire il meccanismo di riconoscimento è di grande importanza nella progettazione di nuovi farmaci, perchè può dare la possibilità di razionalizzare l’attività di ligandi noti e di ottimizzarli. L’applicazione di tecniche computazionali alla scoperta di nuovi farmaci risale agli anni ‘80, con l’avvento del cosiddetto “Computer-Aided Drug Design”, o, tradotto, progettazione di farmaci aiutata dal computer. Negli anni sono state sviluppate molte tecniche che hanno affrontato il problema della flessibilità proteica. Questo lavoro propone una strategia per considerare la variabilità delle strutture proteiche nel docking, attraverso un approccio combinato ligand-based/structure-based e attraverso lo sviluppo di una procedura completamente automatizzata di docking incrociato. In aggiunta, viene proposta una piena esplorazione della flessibilità proteica durante il processo di legame attraverso la Dinamica Molecolare Supervisionata. L’applicazione di un algoritmo simil-tabu alla dinamica molecolare classica accelera il processo di riconoscimento dalla scala dei micro-millisecondi a quella dei nanosecondi. Nel presente lavoro è stata fatta un’implementazione di questa algoritmica per studiare il processo di riconoscimento peptide-proteina.
Orro, Graña Adolfo. "Examination of the role of binding site water molecules in molecular recognition." Thesis, SciLifeLab Stockholm, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-200164.
Повний текст джерелаCuzzolin, Alberto. "Novel in silico approaches to depict the protein-ligand recognition events." Doctoral thesis, Università degli studi di Padova, 2016. http://hdl.handle.net/11577/3424818.
Повний текст джерелаLa scoperta e la commercializzazione di un nuovo farmaco è un processo lungo e dispendioso, che si articola in diverse fasi durante le quali vengono determinate le proprietà fisiche, chimiche e terapeutiche dei composti investigati. In particolare, nella prima fase di questo processo si cerca di verificare che il composto riconosca e interagisca efficacemente con la proteina bersaglio. A tale scopo, negli ultimi decenni numerosi strumenti computazionali sono stati sviluppati e utilizzati per supportare i ricercatori che si adoperano nella parte sperimentale. I problemi affrontati presentano un alto livello di complessità, che sarebbero difficili da studiare in toto, perciò gli sviluppatori di metodi e algoritmi devono necessariamente adottare notevoli semplificazioni. Inoltre, le risorse di calcolo (hardware) determinano le tempistiche con le quali è possibile ottenere il risultato richiesto. In tal senso, lo sviluppo tecnologico ha portato a un importante aumento della potenza di calcolo a costi accessibili, stimolando l’interesse per lo sviluppo di tecniche sempre più complesse. Durante questo progetto di dottorato ci si è focalizzati sullo sviluppo e il miglioramento di metodi in silico, che permettono di rispondere ad alcuni interrogativei a costi e tempistiche di molto ridotte. Inoltre, tali metodi sono stati implementati in software dotati di interfaccia grafica (GUI) al fine di poter aiutare l’utente nel loro utilizzo. Le tecniche computazionali spesso richiedono un’elevata conoscenza teorica delle metodologie e anche una certa competenza informatica, come la gestione di diversi tipologie di file e delle risorse hardware da impiegare. Per questo motivo i software da noi sviluppati sono stati organizzati in pipelines, in modo da automatizzare l’intero processo e rendere questi strumenti fruibili anhce a persone non esperte. Infine, l’utilità di queste nuove metodologie è stata comprovata in progetti in cui questi strumenti hanno permesso di delucidare aspetti interessanti e fino ad ora non ancora accessibili nell’ambito del riconoscimento proteina-ligando.
Lacey, Katie. "Regulation of ligand recognition and endocytosis by the LOX-1 scavenger receptor." Thesis, University of Leeds, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.589025.
Повний текст джерелаYang, Hui. "Theoretical Studies of Molecular Recognition in Protein-Ligand and Protein-Protein Complexes." University of Toledo / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1282339026.
Повний текст джерелаMontalvo, Acosta Joel José. "Computational approaches to molecular recognition : from host-guest to protein-ligand binding." Thesis, Strasbourg, 2018. http://www.theses.fr/2018STRAF051/document.
Повний текст джерелаMolecular recognition is a very interesting problem, and foremost, a current challenge for biophysical chemistry. Having reliable predictions on the specific recognition between molecules is highly priority as it will provide an insight of fundamental problems and will raise relevant technological applications. The dissertation presented here is centered on a quantitative analysis of molecular recognition in solution for host-guest, protein-ligand binding and catalysis. The statistical mechanics framework used to describe the state-of-the-art for receptor-ligand binding is an inflection point for the developing of new improved and methods. In fact, a highly performanced and accurate model was obtained for the analysis of host-guest binding. Finally, the presented models were used as a reliable predictive tools for discovering new chemical entities for enhance catalysis in solution
Su, Ruey-Chyi. "Major histocompatibility complex class I as a ligand for natural killer cell recognition." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2000. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape4/PQDD_0020/NQ53789.pdf.
Повний текст джерелаMullin, Nicholas Paul. "Characterisation of ligand-binding to a carbohydrate-recognition domain of the macrophage mannose receptor." Thesis, University of Oxford, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.320620.
Повний текст джерелаTadayon, Roya [Verfasser], and Oliver [Akademischer Betreuer] Einsle. "Resolving the ligand-binding to pattern recognition receptor for advanced glycation end products (RAGE)." Freiburg : Universität, 2016. http://d-nb.info/115012427X/34.
Повний текст джерелаDeganutti, Giuseppe. "Ligand-receptor recognition events decoded at molecular scale by means of molecular dynamics simulations." Doctoral thesis, Università degli studi di Padova, 2016. http://hdl.handle.net/11577/3421924.
Повний текст джерелаNel corso degli ultimi decenni, l'evoluzione tecnologica è stata così rapida da aprire la strada a una vasta gamma di approcci teorici in grado di supportare e stimolare la componente sperimentale delle scienze biologiche. Da questo punto di vista, in drug design, la capacità di fornire ipotesi di lavoro su come una piccola molecola interagisce con il suo bersaglio biologico può portare ad approcci razionali per lo sviluppo di nuovi candidati farmaci. Oggigiorno è possibile modellare il comportamento di sistemi chimici fino alla scala atomica, consentendo di avere informazioni sul meccanismo che guida associazione e dissociazione da un recettore. Tra le tecniche di calcolo disponibili, la dinamica molecolare è in grado di prendere in considerazione fondamentali aspetti legati all'evoluzione temporale di un sistema biologico, quali la flessibilità strutturale e il ruolo dinamico delle molecole d'acqua nei siti di legame proteici. Durante questo progetto di dottorato di ricerca abbiamo impiegato la dinamica molecolare al fine di rivelare i possibili meccanismi di riconoscimento di diversi ligandi, soprattutto nei confronti dei sottotipi recettoriali dell'adenosina (appartenenti alla classe A dei recettori accoppiati a proteine G): più precisamente, abbiamo applicato tecniche di dinamica molecolare supervisionata (SuMD) sia a modulatori allosterici che ad agonisti. E' interessante notare che i risultati evidenziano la co-esistenza di diversi possibili meccanismi di riconoscimento, che anticipano la formazione dei complessi intermolecolari ortosterici, oltre ad il ruolo cruciale di residui localizzati nella porzione proteica extracellulare.
Wong, Kar-ho. "Luminescent cyclometalated platinum(II) and gold(III) complexes for molecular recognition and DNA binding studies /." Hong Kong : University of Hong Kong, 1999. http://sunzi.lib.hku.hk/hkuto/record.jsp?B20357874.
Повний текст джерелаFerrario, Maria Giovanna. "On the recognition of ecdysteroids by the ecdysone receptor : a computational study." Strasbourg, 2010. https://publication-theses.unistra.fr/restreint/theses_doctorat/2010/FERRARIO_Maria_Giovanna_2010.pdf.
Повний текст джерелаSalim, Mahboob. "Understanding the molecular basis of γδ T cell receptor ligand recognition in cellular stress surveillance". Thesis, University of Birmingham, 2013. http://etheses.bham.ac.uk//id/eprint/4537/.
Повний текст джерелаSchulte, Thorben Rüdiger. "Metal- and Ligand-Centered Chirality in Square-Planar Coordination Compounds." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2018. http://hdl.handle.net/21.11130/00-1735-0000-0005-126A-0.
Повний текст джерела黃家豪 and Kar-ho Wong. "Luminescent cyclometalated platinum(II) and gold(III) complexes for molecular recognition and DNA binding studies." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1999. http://hub.hku.hk/bib/B31221919.
Повний текст джерелаGrassein, Paul. "Simulation of receptor-ligand recognition mechanisms of human Glutahione Transferases by free energy landscape calculation : Applications to the science of taste and cancer." Thesis, Bourgogne Franche-Comté, 2019. http://www.theses.fr/2019UBFCK013.
Повний текст джерелаThe hGSTs (Human Glutathione Transferases) proteins are enzymes which play a major role in the detoxification of our organism and which are involved in the development of cancer. The molecular mechanism by which the hGSTs select a wide variety of ligands (drugs, pesticides, etc.) is not understood to this day. Understanding the mechanisms of ligand-receptor recognition of hGSTs is an issue with a major societal and economic implication for the research on cancer and for the agro-food and pharmaceutical industries (see detailed project). In this thesis we will use high performance computing means to carry out simulations of molecular dynamics any atom in explicit hGSTs solver (system of several hundred thousand atoms). The team has extensive experience with this type of digital challenge acquired with the simulation of the HSP chaperone proteins. The approach of the free energy landscape analysis of developed HSPs recently in the team will be adapted to the study of GSTs and a new modeling of the free energy landscape (coupling of the Landau approach and of the molecular dynamics) will be developed in the thesis to elucidate the ligand-receptor mechanisms of GSTs. Odorous ligands derived from chemotherapy will be used as models and the theoretical results will be compared to experimental data obtained by different techniques (calorimetry, fluorescence, bio-layer interferometry, nanosondes) at the University of Burgundy
Ferruz, Capapey Noelia 1988. "Understanding ligand-receptor recognition by means of high-throughput molecular dynamics : a perspective for drug discovery." Doctoral thesis, Universitat Pompeu Fabra, 2016. http://hdl.handle.net/10803/363212.
Повний текст джерелаComprender las interacciones entre proteína y ligando es el primer paso para diseñar nuevos medicamentos. Llegar a reconstruir completamente este proceso de unión proporciona todas las variables físico-químicas para una optimización racional, un paso muy importante en el descubrimiento de fármacos. Pese a que esto ofrece muchas ventajas, todavía es complicado observar estos procesos experimentalmente. En esta tesis, utilizando simulaciones moleculares de alto rendimiento (HTMD) mediante el proyecto distribuido GPUGRID.net y análisis por Markov state models (MSM), hemos obtenido datos cinéticos, termodinámicos y modos de unión para varios sistemas. En los primeros trabajos nos centramos en estimar la afinidad entre complejos inhibidor-proteína. En trabajos posteriores, logramos caracterizar completamente rutas de unión del ligando teniendo en cuenta los confórmeros de la proteína u otros ligandos presentes. Los resultados son prometedores y establecen la utilidad de HTMD en las primeras fases de descubrimiento de fármacos
Sjöström, Anna. "Dynamics of MHC class 1 recognition by natural killer cells - from receptor modulation to ligand acquisition /." Stockholm : [Karolinska institutets bibliotek], 2002. http://diss.kib.ki.se/2002/91-7349-204-3.
Повний текст джерелаRacys, Daugirdas. "Synthesis of multifunctional ensembles for asymmetric catalysis and chiral recognition : investigation of palladium-trost ligand complexes." Thesis, University of Bristol, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.680110.
Повний текст джерелаSimões, Inês Tadeu dos Anjos. "Functional and therapeutical implications of ligand recognition by the scavenger-like lymphocyte receptors CD5 and CD6." Master's thesis, Faculdade de Ciências e Tecnologia, 2011. http://hdl.handle.net/10362/6582.
Повний текст джерелаThe CD5 and CD6 lymphocyte surface receptors are highly homologous members of the Scavenger Receptor Cystein Rich (SRCR) superfamily mainly expressed by all T lymphocytes and the B1a subpopulation of B cells. Although the ultimate function/s are far from being completely understood, CD5 and CD6 are known to play a relevant role in both lymphocyte development and differentiation by negatively modulating the survival/death-inducing intracellular signals generated during the antigen recognition. Recently, this group has developed a transgenic mouse line which expresses a soluble form of human CD5, likely blocking the ligand-receptor interactions mediated by CD5 and interfering with normal lymphocyte response. This study was aimed at furthering the study of the recombinant soluble human CD5 Transgenic(rshCD5Tg) mouse phenotypical analysis, its response to antigen stimuli and tumor implantation; the function of rshCD6 was also tested. It was observed that rshCD5Tg mice display an exacerbated immune response, likely due to a reduction in the number of T and B cells with regulatory/suppressive function (Treg, B1a, B10 cells) and the increase in effector cells (NKT, MZ B cells). In agreement with these phenotypical characteristics, the functional analysis of rshCD5Tg mice showed enhanced immune responses to Tdependent and –independent antigens, as well as enhanced anti-tumoral responses, with or without concomitant chemotherapy treatment. Importantly, both the phenotypical and functional findings could be reproduced in wild-type mice following prolonged infusion of purified exogenous rshCD5 protein. Overall, these results argue in favor of a relevant role of CD5-mediated molecular interactions in the homeostasis of functionally relevant lymphocyte subpopulations and open the possibility for CD5-based therapeutical interventions in different disease settings such as cancer, infection and immunodeficiency.
Davis, Caroline M. "Investigation and Characterisation of Protein-Ligand Interactions: SRA-Ribonucleic Acid Recognition and Anti-Microbial Drug Discovery." University of Akron / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=akron1437779075.
Повний текст джерелаMcAtamney, Sarah. "Investigation of Dengue Fever Virus Envelope Glycoprotein Carbohydrate-Ligand Recognition Events Essential for Mammalian Cell Infection." Thesis, Griffith University, 2009. http://hdl.handle.net/10072/366363.
Повний текст джерелаThesis (PhD Doctorate)
Doctor of Philosophy (PhD)
Institute for Glycomics
Full Text
Hanske, Jonas [Verfasser]. "Investigation of the Structural Basis of Ligand Recognition of the C-Type Lectin Receptor Langerin / Jonas Hanske." Berlin : Freie Universität Berlin, 2016. http://d-nb.info/1121587895/34.
Повний текст джерелаDyachenko, Andrey. "Molecular recognition in gas phase: theoretical and experimental study of non-covalent protein-ligand complexes by mass-spectrometry." Doctoral thesis, Universitat de Barcelona, 2013. http://hdl.handle.net/10803/113301.
Повний текст джерелаLas biomoléculas de los organismos vivos realizan sus funciones principalmente a través de interacciones débiles reversibles entre ellas. La transducción de señal, la replicación de ADN/ARN, otros procesos enzimáticos y, virtualmente, cualquier otro proceso involucrado en las funciones vitales de cualquier organismo vivo (de las simples amebas, al complejo ser humano), requiere que las moléculas “hablen” entre ellas. Dicho lenguaje se basa en interacciones no covalentes. La flexibilidad conformacional es una propiedad esencial de las grandes biomoléculas, y muchas de las funciones desempeñadas por proteínas se basan en su capacidad para cambiar de conformación en respuesta a un factor externo. Geométricamente hablando, la presencia de flexibilidad en una proteína obstaculiza el diseño racional de medicamentos porque posibilita la existencia de un número muy elevado de conformaciones de dicha proteína. Por este motivo, cualquier información sobre la flexibilidad de una proteína es sumamente valiosa para la comprensión de PPI y PLI y para el diseño racional de medicamentos. Los capítulos 1-3 de la presente tesis versan sobre la solvatación, mientras que la flexibilidad se estudiara en el capitulo 4.
Schafer, Jamie Lynn. "Rhesus macaque KIR recognition of MHC class I molecules: Ligand identification and modulation of interaction by SIV peptides." Thesis, Harvard University, 2014. http://dissertations.umi.com/gsas.harvard:11683.
Повний текст джерелаHerbert, Paul. "The heteromeric 5-HT3A/B receptor : the effect of 5-HT3B subunits on receptor structure and ligand recognition." Thesis, Aston University, 2008. http://publications.aston.ac.uk/11070/.
Повний текст джерелаSharma, Sumana. "Genome-scale identification of cellular pathways required for cell surface recognition." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/271825.
Повний текст джерелаSchopis, Jia L. "Drug Discovery Studies of the T box Riboswitch: Potential Ligand Inhibition andCofactor Modulation of the tRNA-Antiterminator Complex Recognition." Ohio University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1461674214.
Повний текст джерелаRuiz, Botella Sheila. "The importance of ligand design for the development of supramolecular catalysts and ion receptors." Doctoral thesis, Universitat Jaume I, 2017. http://hdl.handle.net/10803/402550.
Повний текст джерелаThe present thesis is divided in two different parts. Part 1 is titled the importance of ligand design for the development of supramolecular catalysts. This part includes three different chapters: introduction chapter 1, chapter 2 and chapter 3. Chapter 1 shows a brief overview of the most interesting items related to supramolecular catalysis. In chapter 2 is described the synthesis and characterization of three different p-xylylbis-benzimidazolylidene iridium and rhodium complexes. Chapter 3 reports the synthesis, characterization and catalytic studies of different palladium, iridium and rhodium complexes, which are formed by N-heterocyclic ligands featuring different topologies, and some of them decorated with pyrene functionalities. The importance and influence of these ligands in the conformational and catalytic behaviour of the metal complexes is studied in detail, providing evidences of the effects produces due to non-covalent interactions such as π-π interactions. Part 2 is titled the importance of ligand design for the development of ion receptors. This part includes three chapters: introduction chapter 4, chapter 5 and chapter 6. Chapter 4 is a brief introduction of the most relevant aspects related to supramolecular host-guest chemistry. The approaches described in chapter 5 consist of two different strategies for the preparation of imidazole resorcinarene based cavitands for the recognition of anions or cations. Chapter 6 reports the synthesis of tris-azolium and tris-iodoazolium tripodal receptors for the recognition of anions. In both chapters (5 and 6) are studied the binding capabilities of the receptors towards several ions, showing the importance of the development in ligand design to improve the properties of the receptors.
Pathak, Asmita. "Protection Against Atherosclerosis by A Non-native Pentameric CRP that Shares its Ligand Recognition Functions with an Evolutionarily Distant CRP." Digital Commons @ East Tennessee State University, 2020. https://dc.etsu.edu/etd/3759.
Повний текст джерелаPark, In-Hee. "Computational Simulations of Protein-Ligand Molecular Recognition via Enhanced Samplings, Free Energy Calculations and Applications to Structure-Based Drug Design." The Ohio State University, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=osu1276745410.
Повний текст джерелаNutiu, Razvan Li Yingfu. "Fluorescent functional DNA for bioanalysis, drug discovery and nanotechnology." *McMaster only, 2006.
Знайти повний текст джерелаWiesner, Silke. "NMR studies of the yeast splicing factor Prp40 structures and ligand recognition of a WW domain pair and an FF domain /." [S.l. : s.n.], 2003. http://www.diss.fu-berlin.de/2003/66/index.html.
Повний текст джерелаFrieg, Benedikt [Verfasser], and Birgit [Gutachter] Strodel. "Integrative modeling of function-associated molecular recognition in protein-ligand, protein-peptide, and protein-protein complexes / Benedikt Frieg ; Gutachter: Birgit Strodel." Düsseldorf : Universitäts- und Landesbibliothek der Heinrich-Heine-Universität Düsseldorf, 2020. http://d-nb.info/1203872445/34.
Повний текст джерелаPatschull, Lafitte-Laplace Anathe Olivia Maria. "In silico ligand fitting/docking, computational analysis and biochemical/biophysical validation for protein-RNA recognition and for rational drug design in diseases." Thesis, Birkbeck (University of London), 2014. http://bbktheses.da.ulcc.ac.uk/84/.
Повний текст джерелаCarmo, dos Santos Nadia A. "Syntheses and application of nitrogen based polydentate ligand complexes." Doctoral thesis, Università degli studi di Padova, 2017. http://hdl.handle.net/11577/3427281.
Повний текст джерелаQuesta tesi di dottorato descrive la versatilità dei complessi metallici con leganti tris(2-piridilmetil)amminici (TPMA) da utilizzare come scaffold molecolari autoassemblanti con applicazione sul riconoscimento molecolare e sonde chiroptiche, o come catalizzatori attivi nella polimerizzazione radicale a trasferimento atomico e reazioni di catalisi di sviluppo di idrogeno. La determinazione quantitativa della chiralità è fondamentale a causa dell'ampio effetto che la stereochimica ha in molti campi scientifici diversi. All'interno di quest’area, esiste una grande necessità di sviluppare metodi rapidi ed efficaci per eseguire analisi stereochimiche da abbinare a metodi di screening ad alto rendimento per la produzione o l'analisi di campioni biologici. I metodi chiropici sono in grado di fornire la velocità e la precisione necessarie per la determinazione dell’eccesso enantiomerico. Con questo obiettivo sono state sviluppate tre sonde molecolari per amminoacidi che consentono di eseguire la determinazione enantiomerica e la configurazione assoluta misurando il dicroismo circolare indotto (CD), il dicroismo circolare vibrazionale (VDC) o la luminescenza circolare polarizzata (CPL). I sistemi riportati sono stati in grado di fornire informazioni affidabili sulla chiralità degli analiti studiati. In questa dissertazione viene descritta l'indagine meccanicistica per la delucidazione del processo di auto-assemblaggio di TPMA con amminoacidi e metalli. Viene esposto il complesso equilibrio che produce le architetture supramolecolari dimeriche responsabili dei segnali chiropici. Il fattore principale che influisce anche sui prodotti finali della reazione. Quindi vengono riportati gli effetti sulla risposta chiropica al cambiare degli ioni metallici sulla struttura principale. Alcuni risultati significativi sono stati ottenuti utilizzando Co (II) invece di Zn (II) sulle misurazioni VCD. In realtà è stato possibile aumentare l'intensità del segnale di due ordini di grandezza. Inoltre, dopo aver modificare la struttura del legante iniziale per aggiungere un gruppo chinolinico al fine di conferire proprietà fluorescenti al sistema, è stato possibile ottenere le bande CPL. In aggiunta, la versatilità dei leganti studiati è stata valutata in altre aree come la catalisi. Otto nuovi complessi di rame sono stati sintetizzati e applicati come catalizzatori attivi nella polimerizzazione radicale a trasferimento atomico (ATRP). I complessi cobalto, nichel e ferro idrossichinolinici sono stati valutati come potenziali catalizzatori per reazioni di sviluppo di idrogeno con risultati positivi.
Romuald, Camille. "Des Muscles Moléculaires dans tous leurs Etats aux Noeuds Moléculaires inédits à Cavité Modulable." Thesis, Montpellier 2, 2011. http://www.theses.fr/2011MON20167.
Повний текст джерелаThis thesis is devoted to the synthesis of pH-sensitive molecular muscles and knots. The first molecular muscle has been readily synthesized and published in 2008, using a two-step strategy: 1) end-capping of the interlocked axles by copper(I)-catalyzed Huisgen alkyne-azide 1,3-dipolar cycloaddition, 2) methylation of triazoles to triazoliums, which are able to interact with the macrocycle DB24C8. Two stretched and contracted states, triggered by variation of pH, allow the control of the distance and of the orientation of the two glucidic ends, which are not covalently linked. Novel mono- and disubstituted pyridinium amide stations have been used for the synthesis of large-amplitude molecular muscles, whose translation of the macrocycles trigger a second co-conformational induced effect. In fact, upon contraction of the molecular muscle, using carbamoylation of the ammoniums, the slight different localizations of the macrocycles around the pyridinium amides (depending on their mono- or disubstitution) trigger two very different effects. The first one is a molecular break played by the DB24C8, whereas the second one is a flipping of the chair-like conformation of the mannopyranosyl ends. A methodologic study was then carried out with the aim to determine the relative affinity of the new described molecular stations for the DB24C8, and led to the synthesis of a molecular muscle which oscillates from the contracted to the semi-contracted co-conformation, depending on solvent and temperature. Eventually, different routes to very new double-lasso molecular knots were investigated from a molecular muscle building-block. One molecular knotted machine has been obtained, and has a double-lasso structure, whose rotation and size of its cavity can both been modulated by variation of pH
Negroni, Maria P. "Studies in Antigen Presentation and Antigen Recognition at Different Interfaces of the Adaptive Immune System." eScholarship@UMMS, 2018. https://escholarship.umassmed.edu/gsbs_diss/996.
Повний текст джерелаMillman, Jonathan Scott Andrews David. "Characterization of membrane-binding by FtsY, the prokaryote SRP receptor /." *McMaster only, 2002.
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