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Carev, Danijel. "Guest satisfaction and guest loyalty study for hotel industry /." Online version of thesis, 2008. http://hdl.handle.net/1850/8037.
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Bezuidenhout, Charl Xavier. "Polar ordering of guest molecules in host-guest inclusion complexes." Thesis, Stellenbosch : Stellenbosch University, 2011. http://hdl.handle.net/10019.1/18107.
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Thesis (MSc)--Stellenbosch University, 2011.ENGLISH ABSTRACT: 2,7-dimethylocta-3,5-diyne-2,7-diol forms inclusion complexes with various guests molecules, where the guest molecules are polar-ordered. A Cambridge Structural Database (CSD) search revealed ten inclusion complexes where the guest molecules were polar-ordered. Using Density Functional Theory (DFT) computational methods (in the absence of the host), we evaluated the intra-channel and lateral guest-guest interactions between the guest molecules. Two polar-ordered inclusion complexes ((1,4,7-cyclohexane-1,2,4,5,7,8-hexaoxonane)·CHCl3 and (2,4,6-(endolongifolyl)-1,3,5-trioxane)·CDCl3) were singled out in the CSD search for further studies along with 2,7-dimethylocta-3,5-diyne-2,7-diol. Synthesis of any 1,2,4,5,7,8-hexaoxonane and 1,3,5-trioxane derivatives was attempted to establish whether the polar-ordering ability extends into the family of compounds. We managed to produce three new polar-ordered inclusion complexes with 2,7-dimethylocta-3,5-diyne-2,7-diol (ClC(CH3)3, BrC(CH3)3 and IC(CH3)3), thus extending the series to six guest polar-ordered systems. We were only able to synthesise 1,4,7-cyclohexane-1,2,4,5,7,8-hexaoxonane and produce the CHCl3 inclusion complex and one new polar-ordered inclusion complex (CHBr3). Three 1,3,5-trioxanes was synthesised (the cyclohexyl, cyclohex-3-en-1-yl and cyclopentyl derivatives), which did not include any solvents. However, these 1,3,5-trioxanes also form polar-ordered crystals. These compounds and inclusion complexes were analysed by means of single crystal X-ray diffraction to determine their crystal structures. All the crystal structures could be solved and refined to adequate accuracy (except for 2,4,6-tri(cyclopentyl)-1,3,5-trioxane) with no disorder of the guest molecules (where applicable) and their polar-ordering property investigated. Due to their vast molecular differences, these compounds were studied separately by means of visual crystal structure analysis and computational modelling techniques (Density functional theory, molecular mechanics, molecular dynamics and molecular quench dynamics).
AFRIKAANSE OPSOMMING: 2,7-dimetielokta-3,5-diyn-2,7-diol vorm insluitingskomplekse met verskeie molekules as gaste, waar die gas-molekules polêr georden is. 'n Cambridge Struktuur Databasis (CSD) soektog lewer tien insluitings komplekse waarvan die gas-molekules polêr georden is. Deur gebruik te maak van Digtheidsfunksionele teorie (DFT) berekeninge (in die afwesigheid van die gasheer) het ons die inter-kanaal en wedersydse gas-gas interaksies tussen die gas molekules geëvalueer. Twee polêr geordende insluitingskomplekse ((1,4,7-sikloheksaan-1,2,4,5,7,8-heksaoksonaan)·CHCl3 en (2,4,6-(endolongifolyl)-1,3,5-trioksaan)·CDCl3) is uitgesonder uit die CSD soektog vir verdere studies saam met 2,7-dimetielokta-3,5-diyn-2,7-diol. Aanslag was gemaak om enige 1,2,4,5,7,8-heksaoksonaan en 1,3,5-trioksaan derivate te sintetiseer en vas te stel of die polêre ordensvermoë oor die familie van verbindings strek. Ons het daarin geslaag om drie nuwe polêr geordende insluitingskomplekse op te lewer met 2,7-dimetielokta-3,5-diyn-2,7-diol (Cl(CH3)3, BrC(CH3)3 en I(CH3)3), en sodoende die reeks uitgebrei na ses gaste wat polêr geordende insluitingskomplekse vorm. Net 1,4,7-sikloheksaan-1,2,4,5,7,8-heksaoksonaan kon gesintetiseer word en dit lewer twee polêr geordende insluitingskomplekse (CHCl3 en CHBr3 (nuut)). Drie 1,3,5-trioksane is gesintetiseer (die sikloheksiel, sikloheks-3-een-1-iel en siklopentiel derivate) en het nie enige oplosmiddels (gaste) ingesluit nie. Nietemin vorm hiedie 1,3,5-trioksane ook polêr geordende kristalle. Hierdie verbindings en insluitingskomplekse is geanaliseer deur middel van enkelkristal X-straal diffraksie om hul kristalstrukture te bepaal. Alle kristalstrukture was opgelos en verwerk tot voldoende akkuraatheid (behalwe vir 2,4,6-tri(siklopentiel)-1,3,5-trioxane) met geen wanorde in die gas molekuul posisies nie (waar van toepassing) en hul polêre ordensvermoë is ondersoek. As gevolg van groot verskille in hul molekulêre strukture, is hierdie verbindings afsonderlik bestudeer deur middel van molekulêre modellerings metodes (Digtheidsfunksionele teorie, molekulêre meganika, molekulêre dinamika en molekulêre stakings dinamika).
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Takala, Sauli, and Bernd Voss. "Guest editors’ introduction." De Gruyter, 2014. https://tud.qucosa.de/id/qucosa%3A71280.
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This special issue of Language Learning in Higher Education is devoted to the field of language testing and assessment, an area often underrated in higher education, where other concerns tend to be more in the focus of attention. Our call for papers made clear that our aim was “to cover a wide range of interrelated themes, in theory and practice, such as assessment and self-assessment, formative and summative assessment, performance standards and standard setting, use and impact of tests, tailoring and developing tests for special purposes, backwash effects (desirable/undesirable), quality issues and ethical concerns. Also considered would be contributions dealing with programme assessment and evaluation . . .” In other words, we were inviting contributions from a wider range of perspectives than is often associated with this field. As a result, the 12 articles selected and presented here cover a rather wide variety of issues often more concerned with the users of language tests, i.e. with those who have to apply them, to develop them within their own institutional constraints, and to interpret and defend the results, than with full-time researchers talking to full-time researchers.
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Lange, Shara K. "Guest Artist Talk." Digital Commons @ East Tennessee State University, 2015. https://dc.etsu.edu/etsu-works/3652.
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Hensens, Wouter. "Hotel rating through guest feedback." Thesis, Nelson Mandela Metropolitan University, 2010. http://hdl.handle.net/10948/1631.
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Hotel rating refers to the process where the comfort and services of a hotel are assessed and classified, usually in five categories, using stars as symbols. Conventional hotel rating systems are generally operated by governments or independent parties. However, with the growth of social media and customer-review sites, guest review platforms became an important source of information. The main aim of this study is to establish whether guest feedback can determine hotel ratings more accurately than conventional methods and whether a social media platform such as TripAdvisor can provide the necessary data to do so. The customer-review website, TripAdvisor, has grown rapidly and made a strong impact on the tourism and hotel industry. This study identifies the nature of TripAdvisor, its reliability, how its ratings compare with conventional ratings, and what criteria are used in guest reviews on TripAdvisor when assessing the quality of a hotel. These findings were triangulated with findings from the conventional rating systems of the 11 destinations that were sampled for this study to identify the value of TripAdvisor. Two samples were taken from TripAdvisor of 110 and 33 hotels, respectively. From the latter, ten guest reviews were gathered and analysed per hotel, resulting in a total of 330 reviews that were analysed. The study’s findings indicate that TripAdvisor is the largest guest feedback platform for hotels and its data can be considered to be reliable. The TripAdvisor ratings were not connected to the conventional ratings of the sampled hotels. The criteria used in TripAdvisor reviews focused more on service delivery than on the objective tangible elements used in most hotel rating systems. The rich context found in most guest reviews makes the information presented on TripAdvisor valuable. There is no evidence that conventionalrating system controls are linked to the comments found in TripAdvisor reviews. The results facilitated the identification of the delight and frustration factors in services marketing for the hotel industry. A new theory to include guest feedback in hotel ratings is developed and proposed. The study further presents two future scenarios, the most likely one of which predicts the demise of conventional rating systems as a result of the success of guest feedback platforms such as TripAdvisor.
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Joiner, A. "Studies of guest-host chemistry." Thesis, University of Liverpool, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.384345.
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Lawrence, Amy. "Studies in host-guest chemistry." Thesis, University of Manchester, 2011. https://www.research.manchester.ac.uk/portal/en/theses/studies-in-hostguest-chemistry(3d13b4e2-f318-446d-b045-4b9f97247bcd).html.
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Previous work in our group has been directed towards the synthesis of crown-ethers for use in the selective complexation of metal ions and as chiral ligands for use in asymmetric catalysis. The development of a modular approach to macrocycle assembly has enabled the synthesis of a library of pyridine-based macrocycles possessing multiple donor sites where chirality was readily introduced from simple amino acids.The nucleophilic ring opening of aziridines 181, 193 or 194, allowed the highly selective synthesis of thioether-based spacers and macrocycles. Extension of this basic approach to the synthesis of seleno-crown ethers was also investigated. The use of chiral-pool starting materials derived from D- or L-alanine, provided access to optically pure macrocycles. The use of the Sharpless-Huisgen 'click' reactions allowed the attachment of a carbohydrate residue directly to a macrocycle via a triazole unit. We hope to attach a macrocycle, carbohydrate residue and azo dye together, to be able to examine further diseases such as Alzheimer's. We have so far succeeded in attaching a macrocycle and sugar to a central scaffold by performing a one-pot double 'click' reaction. The distance between the points of attachment of the chromophore to the macrocycle metal binding site is probably, in this first generation sensor, too great to enable a metal-macrocycle binding event to be reported.
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Gong, Jiachang. "Biomimetics and host-guest chemistry." ScholarWorks@UNO, 2004. http://louisdl.louislibraries.org/u?/NOD,186.
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Thesis (Ph. D.)--University of New Orleans, 2004.Title from electronic submission form. "A dissertation ... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Chemistry."--Dissertation t.p. Vita. Includes bibliographical references.
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Goehry, Charles. "Computational studies on host-guest catalysis." Doctoral thesis, Universitat Rovira i Virgili, 2014. http://hdl.handle.net/10803/283265.
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La química supramolecular és la química dels enllaços no covalents. L'objectiu dels investigadors en aquest camp és entendre i predir el comportament i la interacció dels acoblaments de grans dimensions moleculars.
Aquest treball se centra en l'estudi de dos sistemes supermoleculars independents que promouen una reacció clic en el seu nucli. Aquests sistemes són: un cucurbit[6]uril macrocicle i un calixerè autocomplementari que s'acobla en una càpsula. Presenten un gran espai intern capaç d'atrapar espècies reactives. El principal efecte de l'agregació és l'eliminació parcial de constriccions entròpiques, promovent així les reaccions mencionades. A més, en aquests dos casos, la inhibició del producte s'observa experimentalment.
Es va realitzar un test de mètodes incloent: Mecànica Molecular, DFT/MM, DFT/ES, DFT i DFT -D. Els resultats mostren clarament que el DFT-D supera tots els altres mètodes, tot i que per als sistemes molt grans requereix més mitjans computacionals. B97D s'ha seleccionat amb M06 i una base de 6-31G* sembla suficient. Els errors BSSE són molt grans i cal tenir-los en compte, mentre que una solvatació implícita és satisfactòria.
Havent identificat els mètodes adequats per a l'estudi d'aquests dos conjunts, calculem un gran conjunt de punts estàtics que engloba les possibles alteracions pot experimentar cada sistema. Amb aquestes dades podem construir una xarxa de reacció. Reactius, productes, complexos o conformacions estan relacionats. Seguint aquest esquema, es calcula un conjunt de constants de velocitat per al seu ús en un programa de cinètica. A més, incorporem processos controlats per difusió. El resultat mostra l'evolució global del sistema a través del temps, per exemple, les concentracions dels diferents intermedis i el més important: la formació gradual del producte atrapat. Aquest mètode ens permet reproduir els resultats experimentals i evita el sobrecost (temps/mitjans) de la dinàmica molecular.La química supramolecular es la química de los enlaces no covalentes. El objetivo de los investigadores en este campo es entender y predecir el comportamiento y la interacción de ensamblajes de gran tamaño molecular. Mi estudio se centra en dos sistemas independientes supermoleculares que promueven una reacción click en su núcleo. Estos sistemas son: un cucúrbito[6]uril y un calixareno autoasemblado que forma una cápsula molecular. Ambos presentan un espacio interno grande capaz de atrapar especies reactivas. El principal efecto de la agregación es la eliminación parcial del efecto de la entropía, promoviendo así dichas reacciones; en estos dos casos, se queda en la supermolécula, bloqueando las posibilidades de catálisis. Realizamos una serie de pruebas de los métodos incluyendo: Mecánica Molecular, DFT/MM, DFT/SE, DFT y DFT-D. Los resultados muestran claramente que DFT-D supera a todos los otros métodos, a pesar de que para sistemas muy grandes es muy exigente en términos de recursos computacionales. Se ha seleccionado B97D y una base 6-31G* parece suficiente. Los errores de BSSE son muy grandes y deben ser tomados en cuenta, mientras que una solvatación implícita es satisfactoria. Habiendo identificado los métodos adecuados para el estudio de esos dos complejos, calculamos un gran conjunto de puntos estáticos que engloba las posibles alteraciones que cada sistema puede experimentar. Con estos datos podemos construir una red de reacción. Reactivos, productos, complejos o conformaciones están relacionados. Siguiendo este esquema, se calcula un conjunto de constantes de velocidad para su uso en un programa de cinética. Además, incorporamos procesos controlados por difusión. El resultado muestra la evolución del sistema global a través del tiempo, es decir, las concentraciones de los diferentes intermediarios y lo más importante: la formación gradual del producto atrapado. Este método nos permite reproducir los resultados experimentales y no se basa en métodos de dinámica molecular.
Supramolecular chemistry is the chemistry of non-covalent bonds. Understanding and predicting the behaviour and interplay of large molecular assemblies is the goal of researchers in the field. The present work is focused on the study of two independant supermolecular systems that both promote a click reaction in their core. These systems are (i) a cucurbit[6]uril (CB6) macrocycle and (ii) a self-complementary calixarene that assembles into a capsule. They exhibit a large inner space capable of trapping reactive species. The main effect of aggregation is the partial removal of entropic contraints, thus promoting the formentionned reactions. Also, in those two cases, product inhibition is experimentally observed. We performed a benchmark of methods including from Molecular Mechanics, DFT/MM, DFT/S-E, DFT y DFT-D. The results clearly show DFT-D outperforms all the other methods, although it is computationally expensive for the very large systems in hand. B97D has been selected over M06 and a basis set of 6-31G* appears sufficient. BSSE errors are very large and need to be taken into account, while single-point solvation is satisfactory. Having identified suitable methods for the study of those two assemblies, we compute a large set of stationary points that encompasses the possible alterations each system can undergo. With this data, we build a reaction network. Reactants, product, complexes or conformations (vertices) are related by reactions (edges). Following this scheme, we compute a set of rate constants to use in a kinetic program. Also, we incorporate diffusion-controlled processes. The output shows the evolution of the global system over time, for example the concentrations of the different intermediates and more importantly the gradual formation of the trapped product. This method allows us to reproduce experimental results and does not rely on expensive molecular dynamics.
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Arici, Elif Ülkü. "Guest-host-Wechselwirkungen Solvatochromie und Excimerbildung." [S.l. : s.n.], 2000. http://deposit.ddb.de/cgi-bin/dokserv?idn=962388297.
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Smith, Anne Catherine. "Cyclodextrin host-guest and pseudorotaxane complexes." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1997. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp04/mq20700.pdf.
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Tam, Hiu-yuen Cecilia, and 譚曉婉. "A new type of guest houses." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1999. http://hub.hku.hk/bib/B31984812.
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Costello, Jane Martha. "Guest speaker impact on learning community." Thesis, Lancaster University, 2013. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.658318.
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The use and impact of guest speakers in higher education learning communities is a phenomenon little studied to date. This multiple case study examined this phenomenon in two undergraduate humanities courses, each of which focused on issues and trends in their respective disciplines. Guests formed an integral, authentic resource and component in each case. This project had two aims: to investigate participants' (guests' , instructors ', and students') perceptions of what guests bring to learning communities in their interactions with students; additionally, it sought to discover the qualitatively different ways students experienced guest speakers impacting their learning communities as seen through the concepts (lenses) of students' group activity, engagement, enhanced learning experience, social presence, cohesiveness, and reflection. This research project employed an exploratory case study perspective in addressing the first aim, while a phenomenographic approach to analysis of students ' experiences was used in addressing the second. These lenses are discussed in the literature, along with learning community, networked learning, and guest speakers. Five types of learning communities (traditional, online, networked, virtual, and community of practice) are compared and contrasted across nine constructs to detern1ine their similarities and differences. An alternate definition of networked learning is proffered in an attempt to clarify the necessity and role of information and communication technologies (ICTs) in networked learning. Guests, instructors, and students each shared their experiences in semi-structured interviews. Documents and archival records were also used to inform the case studies. Results contribute to the body of knowledge about guest speakers from participants' perspectives. Guests', instructors ', and students ' experiences either echoed previous reports or contributed new knowledge, sometimes in the sense of cautionary advice. Student extracts relating to the six lenses under consideration were analyzed phenomenographically and an outcome space evolved. It shows that social presence is the construct which underpins the other lenses. Students ' understanding of the concept of learning community is explored and the type of learning community is identified.
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Sikorska, Małgorzata, György Kocziszky, and P. G. Pererva. "Compliance service at guest services enterprises." Thesis, Полтавський університет економіки і торгівлі, 2017. http://repository.kpi.kharkov.ua/handle/KhPI-Press/33437.
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The modern enterprise is obliged to carry out a legitimate and civilized business, therefore management, understanding the importance and necessity of compliance units, provides them with sufficient manpower and adequate rights to receive information and documents. In practice, the need for compliance control is determined by corporate strategy.
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Price-Rhea, Kelly. "Our First Professor As A Guest!" Digital Commons @ East Tennessee State University, 2018. https://podcast.iseekgolf.com/83.
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It's hard to imagine a simpler question: "Why Isn't Women's Golf More Popular?" That was the title of a recent article by Dr Kelly Price at the website www.womensgolf.com and while its a straightforward question the answers are anything but. Dr Price joins Episode 83 of the iSeekGolf podcast to chat about the complex world of gender politics and sport with a special focus on golf and it's a discussion you won't want to miss. Also, don't forget there is just under a week to go till our #ISGPod golf and live recording day. At the time of writing there is just one tee time left for next Monday at Bonnie Doon Golf Club so click here to register and pay. Alternatively, you can come along just for the recording where our special guest will be Mike Clayton who will take your questions on anything and everything to do with the game.
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Bouanga, Boudiombo Jacky Sorrel. "Molecular selectivity by host-guest methods." Doctoral thesis, Faculty of Science, 2021. http://hdl.handle.net/11427/33667.
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The Host-Guest inclusion crystallization method has long been used for the separation of closely related compounds. Especially for the separation of isomers which presented difficulties in techniques like distillation or chromatography. In this study, different host systems were used to separate isomers of trimethoxybenzenes, lutidines, methylacetophenones and xylenols. Isomers are compounds with the same molecular formula but different arrangement of their atoms. They are often produced as mixtures when synthesised in large quantities by various industries and are more valuable as purified single components. Thus, it is important to separate them into their individual components. The process of Host-Guest method is dependent on the phenomenon of molecular recognition between the host and guest molecules, and this, in turn, relies on the sum of non-bonded, secondary interactions which impinge on the final crystalline product. This is especially the case for enantiomers which are isomers with the same boiling points and melting point. However, enantiomers differ by their ability to diffract polarised light. Although countless methods have been used for their separation, one method that has been proven to be certainly successful on this path was the “family method”. The “Dutch resolution method” or the “family method” makes use of the crystallization technique by mixing similar host compounds to separate enantiomers. However, the improvement of the end results was not understood. In fact, the whole process has been done just on results and no analysis of the actual activity occurring at the molecular level was investigated. In this research, the Host-Guest chemistry method was applied with the aim of separating several isomers compounds in the intention of understanding the selectivity characteristics of a particular host. For the purpose of the analysis, structural isomers with close boiling points were selected. Competition experiments were set to survey which of the isomers were a better fit for a particular host. After analysis of the different crystal material obtained from crystallization experiments with NMR techniques, various trends were observed. X-Ray crystallography was employed to elucidate the crystal structures of the different compound formed by Host-Guest chemistry. The new complexes were further analysed by thermal analysis (TGA, DSC), kinetics of desolvation, Hirshfeld surface analysis, and activation energy of desolvation-analysis techniques. During the separation of the trimethoxybenzene (TMB) isomers, cholic acid and deoxycholic acid' hosts were used in chapter 3. It was found that each host separated the isomers differently. That was independent of the closeness of their molecular structures. The difference in selectivity was attributed to the arrangement of each host in the structure obtained with the guest compounds. Separation of lutidines was carried out in chapters 4 and 5. The first separation consisted of the study of the fifteen pairwise combinations of the isomers with 3,3′-bis(9-hydroxy-9- fluorenyl)2−2′- binaphthyl which is presented in chapter 4. The second analysis was carried out with host 2,2'bis(1-hydroxy-4,5-dihydro-2,3:6,7-dibenzocycloheptatrien-1-yl)-biphenyl. Nevertheless, both hosts preferred 3,4-lutidine. Four additional hosts were used to simulate the “Dutch resolution method” in chapter 5. Further analysis of torsion angles was performed over the five hosts for the complexes formed with 2,4-lutidine and 3,5-lutidine. The host characterized by unbridged phenyl moieties and the one characterized by bulky tert-butyl groups was found to prefer 3,5-lutidine. In chapter 6, deoxycholic acid resolved the 2-methylcyclohexanone (2MCH) but not 3- methylcyclohexanone (3MCH) during the separation of methylcyclohexanone isomers. However, during the competition experiment, it was found that when 2MCH was mixed with 3MCH, the latter was resolved as an S-enantiomer. Kinetics of desolvation studied resulted in the determination of the activation energies of the Host-Guest complexes and was like the trend observed by 1H NMR analysis. Chapter 7 was focused on the synergistic effect of mixed hosts system. This was to emphasize the impact that a mixture of compounds with similar structural composition may provide. Competition experiments were done with the 15 pairs of xylenol isomers with 4,4'- isopropylidene Bisphenol. Three of these pairs were selected for further analysis with two similar bisphenol hosts. One interesting structure was obtained with 4,4-isopropylidene Bisphenol and 4,4'-(9-Fluorenylidene) Bisphenol with a guest mixture. This is an unusual result as crystal structures comprising two hosts with two guests are rare.
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Bowman, Earle Lindel. "Empowerment : lip service or guest service /." Online version of thesis, 1993. http://hdl.handle.net/1850/12011.
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Tam, Hiu-yuen Cecilia. "A new type of guest houses." Hong Kong : University of Hong Kong, 1999. http://sunzi.lib.hku.hk/hkuto/record.jsp?B25951154.
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Dorner, R. W. "Host-guest interactions in microporous aluminophosphates." Thesis, University College London (University of London), 2007. http://discovery.ucl.ac.uk/1445422/.
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Microporous materials have attracted considerable interest from the scientific community leading to studies to understand the mechanism involved in the crystallisation of these materials. Most preparations of these materials require a specific organic template (amine or ammonium salt), which acts as a structure directing agent (SDA). The exact behaviour of templates during crystallisation and their role in controlling selectivity to form specific microporous materials is still not completely understood. In previous work carried out at the Royal Institution of Great Britain, the most specific SDA for the synthesis of AlP04-5 (AFI), i.e. Af-Methyldicyclohexylamine (MCHA) had been found. In this thesis, using high-resolution powder X-ray diffraction and Rietveld analysis it was possible to locate the template within the channel system. Employing Monte Carlo docking calculations, the results obtained experimentally were corroborated. Comparing the position of the MCHA within the AFI channel system with the position of other SDAs that form the A1PO-5 topology, a relationship between a template's pKb value and its ability to form the AFI topology could be proposed. Based on the results from the location of MCHA within the framework, it was possible to synthesis a novel layered aluminophosphate material, using phenylethylamine as SDA. The material's structure was solved by single crystal diffraction. Having located several organic molecules within the inorganic framework, experiments were conducted to test microporous aluminophosphates as hydrocarbon traps in cold start emission control. Several different substituted materials of the AFI and ATS topology were tested in dry and wet conditions. To gain further insight into the material's ability to store toluene, the organic molecule was located through X-ray diffraction. The results were again corroborated through computational methods. Overall the thesis has led to a better insight into organic-inorganic interactions within microporous aluminophosphates.
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Jenkins, Hugh Ventris. "The silent guest at the therapeutic table." Thesis, Goldsmiths College (University of London), 2013. http://research.gold.ac.uk/9694/.
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This thesis explores understandings of time in psychotherapy, philosophy, and anthropology, with particular reference to time in Sigmund Freud and Selvini-Palazzoli’s work. From these findings I propose how a time framework has a bearing on psychotherapy. My ethnographic approach is through textual research, case vignettes from my psychotherapy practice, transcript analysis from filmed interviews, and accounts of experiences of time in therapy from patients’ self-reports. I state why I have not given significant space to time within the discipline of physics, finding this area of thought has a more abstract and mathematical approach not directly applicable to human nature or psychotherapy. However, I summarise some of Newton, Einstein, Hawking, and Barbour’s contributions, since their ideas form a backdrop to Western thinking about the nature of mankind and our universe, and thus inform the philosophical sections. The main therapeutic approaches are Freud and Palazzoli’s conceptual frameworks (psychodynamic and systemic) and their different emphases on time in healing. This provides the reference point for the study. Then, taking the Greeks (Parmenides, Plato, Aristotle) and Augustine, followed by a more modern emphasis on phenomenology, (Husserl, Heidegger, Merleau-Ponty, Sartre, Camus, and Ricoeur, inter alia) the strengths and weaknesses of philosophical explorations of time are critically analysed in terms of psychotherapy. An interview with a Romanian family bridges philosophical and anthropological perspectives. I explore the effects of conceptualising time, using qualitative research methods, and propose different kinds of socio-politico-historico-cultural time. Anthropological scholarship more directly helps think about time in psychotherapy. I make detailed reference to two cultures, Balinese and Sora. I then explore the nature of ritual, which provides fertile ground for conceptualising time in psychotherapy. Finally, I evaluate these philosophical and anthropological contributions on time to psychodynamic and systemic psychotherapy, and consider implications for fast-changing temporal relationships in contemporary Western societies.
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Chan, Jennifer Kim Lian. "Guest satisfaction dimensions in the ecolodge context." Thesis, University of Strathclyde, 2005. http://oleg.lib.strath.ac.uk:80/R/?func=dbin-jump-full&object_id=21594.
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This thesis explores guest satisfaction dimensions from the consumer perspective in the ecolodge context and asks to what extent guest satisfaction can be explained by using Herzberg's Motivator and Hygiene Factor Theory. Guest satisfaction dimensions are explored from the experiential perspective and the behavioural approach to refocus and replace the expectancy disconfirmation paradigm and SERVQUAL model that are primarily based on cognitive aspects and ignores the experiential factors. The present research recognises that in the service experience context the experiential and perceptions factors contribute significantly to guest satisfaction (Otto and Ritchie, 1996). The present research recognises the complexity and controversy of the measurement and definition of satisfaction as well as its constructs due to lack of generally acceptable definition of satisfaction. The complexity of guest satisfaction can be approached from an alternative perspective by extending Herzberg's theory developed for job satisfaction. This theory is contended to be better able to address human satisfaction more adequately compared to expectancy disconfirmation and service quality theory as both of these theoretical underpinning are driven by product and services. It has demonstrated both theoretical and operations limitations of expectancy disconfirmation and service quality theories in measuring consumer satisfaction in the service experience context. To overcome the methodological limitation of Herzberg's approach, the present research incorporates a multi research technique of participation observation and Profile Accumulation Techniques (PAT) for data collection. PAT is adapted from its original version developed by Johns and Lee-Ross (1995). These research techniques supplement and complement the strengths and weaknesses and to achieve consistency and reliability. An exploratory qualitative inductive approach enables the collection of "authentic" data that capture guests' voices. This offers a satisfactory methodological framework and a holistic, reliable and valid approach. The research reveals that guests interact with physical and human dimensions, involvement, and participation in leisure activities that are the main elements termed as satisfaction dimensions or satisfiers. The physical facilities, amenities and maintenance and operations standard are regarded as main elements of dissatisfaction dimensions or dissatisfiers. Guests' satisfaction is measured from both the cognitive and affective responses derived from two different sets of constructs. These satisfaction/dissatisfaction dimensions emerge from two different opposite motivational forces, as two different continua. At one extreme, satisfiers are dimensions related to the personal experiential aspects that derive from the ranges of natural environment and attractions, physical sites and participation in leisure activities that are sourced from the external ecolodge environment. These are intangible elements that are also uncontrollable by the ecolodge operators. At the other extreme, dissatisfiers are dimensions related to the performance and availability of facilities, amenities and maintenance of the ecolodge context. These are regarded as tangible and controllable elements. This indicates that guest satisfction with ecolodges is a two-dimensional measurement. Thus, Herzberg's theory is capable of exploring and explaining guest satisfaction dimensions, and these are perceived as two distinct constructs to represent service quality dimensions in a more meaningful way. This suggests that guest satisfaction can be theorised by job satisfaction theory and both contribute to human life satisfaction and the principle of human dual factors using Herzberg's theory. However, one must also note that these dimensions suggest that satisfiers and dissatisfiers may not be universal as they are subject to the nature of the service context and the type of activities provided.
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Cameron, Diana Louise. "Pressure perturbation calorimetry of host-guest complexes." Thesis, University of Glasgow, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.404451.
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Cullen, William M. "Host-guest chemistry of polyhedral coordination cages." Thesis, University of Sheffield, 2015. http://etheses.whiterose.ac.uk/11545/.
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Chapter 1 – Introduction Chapter 2 – Synthesis, characterisation and manipulation of a three component self-assembled system Chapter 3 – Development and utilisation of a fluorescence displacement assay for guest screening Chapter 4 – Prediction of guest binding using molecular docking Chapter 5 – The use of pH changes to control guest binding in water Chapter 6 – Highly efficient catalysis of the Kemp Elimination in the cage cavity.
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Amombo, Noa Francoise Mystere. "Halogen···Halogen interactions in host - guest systems." Doctoral thesis, University of Cape Town, 2017. http://hdl.handle.net/11427/27462.
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For a few decades now, halogen bonds which are non-covalent interactions, have gained a lot of interest in the science community due to their applications in diverse research areas. Halogen bonding (XB) is an interaction that occurs between electron deficient halogen compounds and electron donors. This is an established non-covalent interaction in the solid and gaseous phase. In this thesis, the work presented deals with the investigation of halogen bond interactions in host-guest complexes utilising both experimental and theoretical techniques. Two host compounds, tetrakis-4-(bromophenyl)ethylene and its iodo-analogue were synthesised for the studies reported in Chapter 3, 4 and 5. Chapter 3, deals with the classification of halogen···halogen interactions using halogenated methanes as guest solvents. Here, the inclusion complexes can be classified into different types of halogen bonds depending on their geometry. Type I, which are of van der Waals in nature usually have X···X distances greater than the sum of their van der Waals radii. Type IIa and IIb are interactions which are considered to be attractive and their X···X distances are usually shorter than those of type I. The compounds obtained in Chapter 3 were used to study both the kinetics of desolvation and the kinetics of enclathration for the solid host-methyl iodide vapour reactions, to obtain their rate law and determine activation energies. In Chapter 4, the two hosts mentioned above were utilised to form inclusion compounds with a series of halogenated compounds for guest exchange reactions. The structures of the starting inclusion compounds were exposed to the vapours of the second incoming guests to form intermediate complexes and final compounds, which were used to analyse the halogen···halogen interactions in their structures. NMR spectroscopy was performed on selected crystals to monitor the guest exchange experiment and the rate law of each exchange reaction was established. Tetrakis-4-(bromophenyl)ethylene and its iodo-analogue were also used as host compounds in Chapter 5. Here, halogen···halogen interactions are also classified and two novel polymorphs of tetrakis-4-(iodophenyl)ethylene with 3-picoline (3PIC) are reported. Kinetics of enclathration by suspension was conducted on two of the bromohost inclusion compounds (with 3-bromopyridine and 3-picoline) at 25 °C and 35 °C. Competition between hydrogen and halogen bonding was performed in Chapter 6, using three similar but subtly different host compounds with halogenated substituted pyridines as guests. IR spectroscopy and Hirshfeld surface analysis were utilised for further characterisation of these inclusion compounds. The synthesis of halogenated Werner clathrates containing Cl-, Br- and I- in Chapter 7, was conducted with various guests of substituted pyridines. Compounds, which were derived from NiI₂ yielded ionic complexes, forming iodide anions. Iodine was added to these complexes to form tri-iodide anions. The Werner clathrates obtained with the 4-picoline (4PIC) could also be directly synthesised by the exposure of NiCl₂/NiBr₂ to the vapour of 4PIC. Kinetics of enclathration of these two solid-vapour reaction compounds were also analysed. All the structures in this study were elucidated using single crystal X-ray diffraction. Thermal analyses such as thermogravimetry (TG), hot stage microscopy (HSM) and differential scanning calorimetry (DSC) were used for the determination of the thermal behaviour of the new compounds. Variable temperature powder X-ray diffraction was also carried out for the characterisation of the new compounds.
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Kirchhoff, Paul D. "Computer simulations of cryptophane host-guest systems /." Diss., Connect to a 24 p. preview or request complete full text in PDF format. Access restricted to UC campuses, 1998. http://wwwlib.umi.com/cr/ucsd/fullcit?p9835380.
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Simonic, Petra. "Incorporation of guest-molecules into zeolite mordenite /." [S.l.] : [s.n.], 2004. http://www.zb.unibe.ch/download/eldiss/04simoncic_p.pdf.
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Sebogisi, Baganetsi Karabo. "Separation of racemates via host-guest chemistry." Thesis, Cape Peninsula University of Technology, 2012. http://hdl.handle.net/20.500.11838/730.
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Thesis submitted in fulfilment of the requirements for the degree
Magister Technologiae: Chemistry
in the Faculty of Applied Science
at the
CAPE PENINSULA UNIVERSITY OF TECHNOLOGY
2012Chirality is very important to the pharmaceutical industry as enantiomers have the same macroproperties except for their optical and pharmacological activity. Industrial research has thus focused to find the most effective resolution technique. However, our aim was to obtain more information regarding the discrimination process. In this project the structures of the hydrates of di-quininium L-malate, (2QUIN+)(L-MA2-)•2H2O and the di-quininium D-malate, (2QUIN+)(D-MA2-)•2H2O have been investigated. (-)-Quinine (QUIN) did not show selectivity between the D and L malic acid and the structure of (2QUIN+)(DL-MA2-)•2H2O was obtained. Effect of solvents was demonstrated in the study and the structure of (QUIN+)(D-MA-)•H2O) was reported. The relationship between C-O bonds of the carboxylate and carboxylic moieties and ÄpKa was explored in salt and co-crystal formation. Kinetics of absorption was conducted for the reaction of (+)-deoxycholic acid (DCA) with n-propylamine and DCA with racemic sec-butylamine. The rate constants of the reactions were determined. Kinetics of desolvation was performed on the powder samples of mixtures of DCA and sec-butylamine and DCA with di-n-butylamine. Non-isothermal methods were used where a series of TG analyses was carried out at different heating rates (2, 4, 10, 32 K min-1). The structures of DCA with n-propylamine and di-n-butylamine were elucidated. The selectivity of DCA was investigated. The host compound was found to be able to successfully resolve racemic sec-butylamine (2-BUAM) and 2-amino-3-methylbutane (MeBUAM). The structures of DCA with enantiomers of these guests are reported in the study. The structures of R-BUAM and S-BUAM were solved in different space groups while R-MeBUAM and S-MeBUAM crystallized in the same space group.
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Tangouna, Liambo Bissa Marie-Louise. "Host-guest compounds : structure and thermal behaviour." Thesis, Cape Peninsula University of Technology, 2016. http://hdl.handle.net/20.500.11838/2442.
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Thesis (MTech (Chemistry))--Cape Peninsula University of Technology, 2016.Inclusion compounds of two hydroxyl hosts with a variety of guests have been investigated. These host compounds are bulky molecules and have the ability to interact with smaller organic guests to form new compounds. The host 9-(1-naphthyl)-9H-xanthen-9-ol (H1), forms inclusion compounds with pyridine (PYR), N,N-dimethylacetamide (DMA), morpholine (MORP) and N-methyl-2-pyrrolidinone (NMP). The crystal structures of H1•NMP, H1•DMA and H1•MORP1 were successfully solved in the triclinic space group PĪ, whereas the inclusion compound H1•PYR crystallised in the monoclinic space group P21/c. A different inclusion compound involving morpholine, H1•MORP2 resulted from dissolution of H1 in a 1:1 molar ratio of MORP: DMA. H1•MORP2 crystallised in the space group PĪ. All of the abovementioned inclusion compounds demonstrated a host: guest ratio of 1:1 except for H1•MORP1 (host: guest ratio = 1: ). H1 interacts with pyridine and morpholine guests via (Host)O-H•••N(Guest) hydrogen bonds and via (Host)OH•••O(Guest) hydrogen bonds with N-methyl-2-pyrrolidinone and N,N-dimethylacetamide.
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Mitchell, P. D., and Ray E. Sheriff. "Guest Editorial: Satellite Systems, Applications and Networking." Master's thesis, The Institution of Engineering and Technology, 2010. http://hdl.handle.net/10454/4430.
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yesGuest Editorial of Special Issue (featuring eight original papers, comprising 133 pages in total). Whilst satellite systems continue to be at the forefront of broadcast communication service provision, they have an increasingly important role to play in the provision of global Internet services. There has been a strong trend towards convergence of communication services in recent times, with the Internet providing the ideal platform on which to base such convergence. Even traditional circuit-switched applications (such as voice and video streaming) have been shown to work effectively over the Internet. Although the Internet is prevalent in the developed world, satellites are vital to extending this into more remote and sparsely populated regions of the world. It is therefore important that satellite technology is advanced to provide seamless interoperability with the Internet and adequate Quality of Service (QoS) support. The purpose of this special issue is to present research devoted to furthering satellite technology and networking to support the provision of both current and future applications.
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Jarand, Curtis William. "Complexation of Organic Guests and Coordination of Metal Ions by Cyclodextrins: Role of Cyclodextrins in Metal-Guest Interactions." ScholarWorks@UNO, 2011. http://scholarworks.uno.edu/td/1319.
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Nitroaromatic explosives, such as trinitrotoluene (TNT), are of particular environmental concern due to their recalcitrance in soils and their potent toxicity and mutagenicity to both aquatic and mammalian species. TNT was the most widely used military explosive through the era encompassing both the First and Second World Wars. As a result, there is widespread contamination of soils by TNT around weapons manufacture, testing, and disposal facilities. Fenton chemistry (ferrous ion catalyzed generation of hydroxyl radicals) has shown utility in the remediation of TNT in soils but it suffers from non-specificity and the need for acidic conditions to prevent loss of iron as iron hydroxides. Cyclodextrins (CDs) have demonstrated the ability to increase the efficiency of Fenton degradation of aromatic pollutant species. The increase in degradation efficiency observed in the CD Fenton reaction systems has been credited to the formation of a pollutant/CD/ferrous ion ternary complex which has the ability to produce hydroxyl radicals at the site of bound ferrous ions during Fenton reactions. This results in an increase in hydroxyl radical concentration near the target guest molecule relative to the bulk solution, leading to a targeted degradation of the complexed guest molecule. In order to assess the viability of CD assisted Fenton reactions for the remediation of TNT, a thorough knowledge of the kinetics, degradation products, and role of binary and ternary complexes is required. Research presented in this dissertation examined the role of CDs in the Fenton oxidation of TNT, specifically: 1) the kinetics of TNT degradation in the presence of CDs for a Fenton reaction system, 2) the products of these reactions through chromatographic and mass spectrometric methods, and 3) NMR and binding studies of binary and ternary complexes.
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Wajs, Ewelina Maria. "Supramolecular nanoarchitectures based on cyclodextrin host-guest interactions." Doctoral thesis, Universitat Rovira i Virgili, 2014. http://hdl.handle.net/10803/277426.
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La química supramolecular s'ha convertit en una eina molt poderosa en la construcció de noves arquitectures de mida nanomètrica amb propietats singulars. La combinació de modificacions covalents amb una àmplia gamma d'interaccions no covalents permet l'ajust de les propietats dels nanomaterials i la creació de materials innovadors i avançats amb aplicacions diverses. L'objectiu principal d'aquest treball és explorar la possibilitat de combinar les propietats úniques de les ciclodextrines amb materials polimèrics per crear noves nanoarquitectures.
La present tesi descriu el desenvolupament d'una nova classe de nanomaterials polimèrics basats en interaccions supramoleculars. Aquests nanomaterials es van preparar d'una manera controlada per deposició capa a capa en solucions aquoses i es van aplicar amb èxit en biosensors per millorar el senyal anaítica i també podrien ser utilitzats per a diferents aplicacions biomèdiques. A més, s'han preparat nanocebes de carboni altament solubles basades en nanoestructures polimèriques, la qual cosa obre noves possibilitats en diverses aplicacions com l'energia fotovoltaica o l'electrònica molecular, on la dispersió de molècules acceptores té un paper important en la fabricació i el rendiment del dispositiu.La química supramolecular se ha convertido en una herramienta muy poderosa en la construcción de nuevas arquitecturas de tamaño nanométrico con propiedades singulares. La combinación de la modificación covalente con una amplia gama de interacciones no covalentes permite el ajuste de las propiedades de los nanomateriales y la creación de materiales innovadores y avanzados con aplicaciones diversas. El objetivo principal de este trabajo es explorar la posibilidad de combinar las propiedades únicas de las ciclodextrinas con materiales poliméricos para crear nuevas nanoarquitecturas . La presente tesis describe el desarrollo de una nueva clase de nanomateriales poliméricos basados en interacciones supramoleculares. Estos nanomateriales se prepararon de una manera controlada por deposición capa a capa en soluciones acuosas y se aplicarion con éxito en biosensores para mejorar la señal anaítica y también podrían ser utilizados para diferentes aplicaciones biomédicas. Además, se han preparado nanocebollas de carbono altamente solubles basadas en nanoestructuras poliméricas. lo cual abre nuevas posibilidades en diversas aplicaciones tales como la energía fotovoltaica o la electrónica molecular, donde la dispersión de moléculas aceptoras juega un papel importante en la fabricación y el rendimiento del dispositivo.
Supramolecular chemistry has emerged as a very powerful tool in the construction of novel nanometer-sized architectures with remarkable properties. The combination of covalent modification with a wide range of non-covalent interactions allows the fine tuning of nanomaterial properties and the creation of innovative and advanced materials with distinct applications. The main objective of this work it to explore the possibility to combine the unique guest-complexing properties of cyclodextrins with polymeric materials to create novel nanoarchitectures. The present thesis describes the development of a new class of polymeric nanomaterials based on supramolecular host-guest interactions. These well-organized nanomaterials were prepared in a controlled manner by simple layer-by-layer deposition technique in aqueous solutions. They were successfully implemented in enzyme-encapsulating particle-based signal enhancement tools in biosensors and also could be used for different biomedical applications. Moreover, the prepared highly soluble carbon based polymeric nanostructures opens up new possibilities for many other applications such as photovoltaics or molecular electronics where the dispersion of acceptor molecules plays an important role in device fabrication and performance.
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Rumplecker, Anja. "Host guest chemistry of mesoscopically ordered porous materials." [S.l.] : [s.n.], 2007. http://deposit.ddb.de/cgi-bin/dokserv?idn=984866566.
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House, Brian Edward. "Host-[2] rotaxanes guest recognition and cellular transport /." Cincinnati, Ohio : University of Cincinnati, 2006. http://www.ohiolink.edu/etd/view.cgi?acc%5Fnum=ucin1155826127.
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Thesis (M.S.)--University of Cincinnati, 2006.Title from electronic thesis title page (viewed Nov.30, 2006). Includes abstract. Keywords: Rotaxane,Protein Mimetic, Molecular Recognition, Drug Transport Includes bibliographical references.
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Ibbett, Ashley James. "Synthesis and host-guest chemistry of organic polycations." Thesis, University College London (University of London), 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.264211.
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Piper, Jerico. "Host guest chemistry of a photoactive coordination cage." Thesis, University of Sheffield, 2018. http://etheses.whiterose.ac.uk/20840/.
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Binder, Tomas, Christian Chmelik, Lars Heinke, Florian Hibbe, Jörg Kärger, Tobias Titze, and Despina Tzoulaki. "The wealth of information from transient guest profiles." Universitätsbibliothek Leipzig, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-189371.
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The application of interference microscopy (IFM) and infrared microscopy (IRM) to monitor the evolution of the concentration of guest molecules in nanoporous host materials opens a new field of diffusion research in condensed matter. It combines the methodical virtues of the profiling methods of solid-state diffusion studies with the benefit of the mobility enhancement in fluids. We are going to illustrate the rich options of diffusion studies provided by this novel experimental approach.
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Löffler, Susanne. "Host-Guest Chemistry of Acridone-based Coordiantion Cages." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2018. http://hdl.handle.net/11858/00-1735-0000-002E-E415-6.
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Binder, Tomas, Christian Chmelik, Lars Heinke, Florian Hibbe, Jörg Kärger, Tobias Titze, and Despina Tzoulaki. "The wealth of information from transient guest profiles." Diffsuion fundamentals 11 (2009) 16, S. 1-17, 2009. https://ul.qucosa.de/id/qucosa%3A13954.
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The application of interference microscopy (IFM) and infrared microscopy (IRM) to monitor the evolution of the concentration of guest molecules in nanoporous host materials opens a new field of diffusion research in condensed matter. It combines the methodical virtues of the profiling methods of solid-state diffusion studies with the benefit of the mobility enhancement in fluids. We are going to illustrate the rich options of diffusion studies provided by this novel experimental approach.
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Harvey, Grant Andrew. "Structure and reactivity of diol host-guest compounds." Master's thesis, University of Cape Town, 1990. http://hdl.handle.net/11427/17286.
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Includes bibliographical references.The crystal structures of trans-9, 10-dihydroxy-9, 10-diphenyl-9, 10- dihydroanthracene with various guest molecules have been determined by X-ray diffraction. The guests were 2-butanone, 4-vinylpyridine, 4-methylpyridine and 2-methylpyridine. The host to guest ratios were determined by microanalysis and density measurements. The change of the overall host lattice structure upon guest release was studied by X-ray powder diffraction. The thermal characteristics of the compounds were studied using thermogravimetric analysis and differential scanning calorimetry. Guest desorption from three of the four compounds occurred in a single step whereupon the host framework collapsed back to the guest-free structure. The compound containing 4-methylpyridine, released the guest molecules in a two-step process. Evidence of a new host phase was identified from the XRD pattern of this intermediate phase. On further guest release, the intermediate phase converted to the guest-free host structure. In an attempt to reconcile thermodynamics with structure, the correlation between hydrogen bond length and guest desorption enthalpy was investigated.
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HOUSE, BRIAN EDWARD. "HOST-[2] ROTAXANES: GUEST RECOGNITION AND CELLULAR TRANSPORT." University of Cincinnati / OhioLINK, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1155826127.
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Sharma, Anshul. "New types of liquid crystals host-guest systems." Kent State University / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=kent1447953547.
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Morganstein, Susanne R. "Guest satisfaction in a college food service setting /." Online version of thesis, 1994. http://hdl.handle.net/1850/11576.
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Kumble, Peter Andrew 1957. "The vernacular landscape of the southwestern guest ranch." Thesis, The University of Arizona, 1992. http://hdl.handle.net/10150/291844.
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The western guest ranch evolved out of an era when American literature, film, and radio romanticized the cowboy and his landscape as symbols of the frontier west. As with architectural style, landscape imagery was a powerful tool in conveying social trends. Research briefly details the evolution of the dude ranch and its development in southeastern Arizona. Specific area of study is the San Simon and Sulphur Springs Valley of present day Cochise County, Arizona. A brief history of the region's settlement is provided. The location, landscape, facilities, and entertainment of eight guest "dude" ranches in the study area is described. A detailed examination of Faraway Ranch is provided, including site plans, photographs, and inventory of existing vegetation. The vernacular landscape of the southeastern Arizona guest ranch is identified. Reasons for the appeal of a guest ranch and its landscape to patrons is described.
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Ogilvie, Stephen Hudson. "Coordination Frameworks: Host-Guest Chemistry and Structural Dynamics." Thesis, The University of Sydney, 2015. http://hdl.handle.net/2123/15897.
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This thesis investigates the host-guest chemistry and structural dynamics in three families of coordination frameworks – Prussian blue analogues (PBAs), zeolitic imidazolate frameworks (ZIFs), and lanthanoid metal-organic frameworks (MOFs). This was primarily achieved using in situ gas-loading neutron powder diffraction (NPD) to examine various guests in the pore space of these materials. Each of these frameworks contain structural motifs that have previously been identified as influential in the uptake of gases. Gas-loaded NPD of the PBA Fe¬3[Co(CN)6]2 revealed two CO2 adsorption sites, both of which interact with the coordinatively-unsaturated Fe(II) sites. A linear relationship was also observed between the material's thermal expansion behaviour when dosed with increasing amounts of CO2, suggesting the potential for controlled thermal expansion properties. NPD analysis of gas-loaded Co(nIm)2-RHO has revealed five adsorption sites each when this material was dosed with CO2 or D2. Host-guest interactions at CO2 and D¬2 adsorption sites are observed to be predominantly driven by electrostatic interactions with the nitro functional group of the 2 nitroimidazolate bridging ligand. Analysis of CO2-loaded NPD data for Co(mIm)2-SOD revealed only a single CO2 adsorption site that accounted for ca. 17% of the total amount of CO2 dosed. This comparison has helped to confirm the necessity of having ligands with strong charge polarisation in order to achieve guest interaction and crystallographic ordering. NPD analysis of gas-loaded Y(btc) has revealed multiple adsorption sites with dosed with CO2, CD4, and O2. These host-guest adsorption sites typically occur between the guest molecule and the carboxylate functional groups of the bridging ligand. Despite the presence of bare metal sites, only the O2 guest is seen to interact weakly. This has been attributed to the contraction in O-Y-O coordination angles upon desolvation of the host material.
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Huang, Feihe. "Host-Guest Systems Based on Crown Ether, Cryptand, and Pseudocryptand Hosts with Paraquat, Diquat, Secondary Ammonium, and Monopyridinium Salt Guests." Diss., Virginia Tech, 2005. http://hdl.handle.net/10919/26490.
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Supramolecular host-guest chemistry is a topic of great current interest. However, the further development of host-guest chemistry is still limited by the number of available host-guest recognition motifs. This makes it necessary and valuable to find new host-guest recognition motifs and apply known host-guest recognition motifs in the preparation of novel supramolecular systems.
By comparing the crystal structures of the host and its taco complex, we proved that folding is a necessary step during the formation of taco complexes. Based on the known bis(m-phenylene)-32-crown-10/paraquat recognition motif, the first solid-state supramolecular poly(taco complex) was prepared.
We demonstrate not only that bis(m-phenylene)-32-crown-10-based cryptands are powerful hosts for paraquat derivatives compared with the simple crown ether, but also that cooperative complexation can be obtained with the cryptand structure. It was shown that the significant improvement in complexation was the result of the combination of the preorganization of the cryptand hosts and the introduction of additional and optimized binding sites. Furthermore, it was demonstrated that improved complexation of bis(secondary ammonium) and bisparaquat salts could also be achieved by the formation of the pseudocryptand structure. We also prepared two dimers of inclusion cryptand/paraquat complexes driven by dipole-dipole and face-to-face p-stacking interactions.
An interesting complex based on dibenzo-24-crown-10 and diquat was prepared. In its crystal structure the diquat guest lies in the concave cavity provided by two dibenzo-24-crown-8 hosts.
Monopyridinium-based [2]- and [3]-pseudorotaxanes were prepared based on the newly discovered bis(m-phenylene)-32-crown-10/monopyridinium salt and cryptand/monopyridinium salt recognition motifs.
Inspired by the formation of solid-state taco complexes between bis(m-phenylene)-32-crown-10 and paraquat derivatives, we designed and synthesized the first cylindrical bis(crown ether) host for paraquat derivatives and studied its complexation with paraquat.
We prepared three slow-exchange C3-symmetric inclusion complexes based on a newly discovered cryptand/trispyridinium recognition motif, in which 1,3,5-trispyridiniumbenzene salts act as guests.
Finally the application of several new and known recognition motifs in the preparation of a supramolecular poly[3]pseudrotaxane, and the first pseudorotaxane-type supramolecular star-shaped polymer, and the first supramolecular hyperbranched polymer was discussed.Ph. D.
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Ward, Shari F. "The impact of guest speakers in the science classroom." Montana State University, 2011. http://etd.lib.montana.edu/etd/2011/ward/WardS0811.pdf.
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In this investigation, guest speakers were implemented into 9th, 11th, and 12th grade science classes to determine if there would be an impact to student interest in the content area, attention to class work requirements, motivation, and future career plans. It was the hope that, in hearing real-world success stories from individuals other than their everyday teacher, they would see beyond what they perceive as limiting factors and recognize their ability to have successful futures. The findings suggest that there are multiple factors pertaining to the attributes of the presentation/presenter as well as the information shared in the presentation that may influence these student perceptions.
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Iwamoto, Takahiro. "Studies on Synthesis and Host-Guest Chemistry of Cycloparaphenylenes." 京都大学 (Kyoto University), 2014. http://hdl.handle.net/2433/188613.
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Li, Zengmin. "Chiral host/guest catalysis : enantioselective epoxidation of unfunctionalized alkenes /." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0015/NQ47497.pdf.
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Dattani, Hema. "Novel Tripodal Receptors Designed to Recognize Anionic Guest Molecules." Thesis, University of Oxford, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.489428.
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The aim of this thesis is to develop novel tripodal receptors for the recognition of anionic guest species. Interaction between host and guest is analyzed by a variety of spectroscopic methods including ¹H NMR, UV-Visible, luminescence and electrochemical techniques.
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Panesar, Kuldeep Singh. "Quantum molecular dynamics of guest molecules in supramolecular complexes." Thesis, University of Nottingham, 2009. http://eprints.nottingham.ac.uk/10741/.
Full textAbstract:
The quantum motion of guest molecules has been studied in a variety of calixarene host-guest complexes, and in a endohedral fullerene complex. The guest molecules of the calixarene complexes studied each comprise weakly hindered methyl groups, which undergo rotation via quantum tunnelling, even at cryogenic temperatures. The rotational motion of the guest methyl-groups has been studied by making temperature and frequency-dependent measurements of proton T1, using field-cycling NMR, thus revealing the spectral density functions of the magnetic dipole-dipole interaction. Crystallographically inequivalent methyl-group environments have been identified and characterised in p-tert-butylcalix[4]arene(1:1)toluene, p-tert-butylcalix[4]arene(1:1)gamma-picoline and p-isopropylcalix[4]arene(2:1)p-xylene. In many of the calixarene complexes the proton spin-lattice relaxation has been observed to be strongly dependent on the thermal history of the sample. Temperature-dependent measurements of proton T1 in samples of p-tert-butylcalix[4]arene(1:1)toluene with partially deuterated guest molecules reveal a systematic reduction in T1 at low temperatures with increased degree of deuteration. Calixarene and fullerene host-guest complexes have been identified as having a potential application in cryogenic MAS-NMR as cryorelaxor complexes, capable of being attached to a large biomolecule and encouraging proton spin-lattice relaxation. The suitability of the calixarene complexes for use in this capacity has been investigated by measuring the temperature-dependence of proton T1 at low temperatures. The quantised rotational and translational motion of dihydrogen confined within an open-cage fullerene—namely, aza-thio-open-cage-fullerene (ATOCF)—has been revealed by inelastic neutron scattering (INS) measurements. The splitting of excited rotational and translational states, due to the low symmetry of the ellipsoidal fullerene cavity, has been directly measured. Assignment of the peaks observed in the INS spectrum has been aided by analysis of the Q-dependence of excitation bands. The thermodynamics of ortho- and parahydryogen have been investigated via temperature dependence measurements. INS measurements have allowed the anistropic rotational potential experienced by the H2 rotor to be determined.