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Dissertations / Theses on the topic 'Changing the Conformation of Molecules'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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1

Tedesco, Daniele <1984&gt. "Chiroptical properties of bioactive molecules: sensitivity to conformation and solvation." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2014. http://amsdottorato.unibo.it/6337/1/Tedesco_Daniele_tesi.pdf.

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Chiroptical spectroscopies play a fundamental role in pharmaceutical analysis for the stereochemical characterisation of bioactive molecules, due to the close relationship between chirality and optical activity and the increasing evidence of stereoselectivity in the pharmacological and toxicological profiles of chiral drugs. The correlation between chiroptical properties and absolute stereochemistry, however, requires the development of accurate and reliable theoretical models. The present thesis will report the application of theoretical chiroptical spectroscopies in the field of drug analysi

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2

Tedesco, Daniele <1984&gt. "Chiroptical properties of bioactive molecules: sensitivity to conformation and solvation." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2014. http://amsdottorato.unibo.it/6337/.

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Chiroptical spectroscopies play a fundamental role in pharmaceutical analysis for the stereochemical characterisation of bioactive molecules, due to the close relationship between chirality and optical activity and the increasing evidence of stereoselectivity in the pharmacological and toxicological profiles of chiral drugs. The correlation between chiroptical properties and absolute stereochemistry, however, requires the development of accurate and reliable theoretical models. The present thesis will report the application of theoretical chiroptical spectroscopies in the field of drug analysi

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3

Clark, Jenny. "Intermolecular interactions in π-conjugated molecules : optical probes of chain conformation". Thesis, University of Cambridge, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.597713.

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A study of interactions between molecules of the same material was performed on a model polymer system. Regio-regular poly(3-hexylthiophene) (P3HT) self-organises into two-dimensional π-stacked lamellar structures. Although the chains pack at a distance of only 3.8Å, the resonant coulomb interaction between nearest-neighbour molecules is small, owing to large average conjugation lengths within the lamellae. When the resonant coulomb (or excitonic) interaction is smaller than the vibrational relaxation energy, the excitation is localised on a single molecule and the coupling is termed <i>weak.

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4

Back, Kevin. "The crystallisation of conformationally flexible molecules." Thesis, University of Manchester, 2012. https://www.research.manchester.ac.uk/portal/en/theses/the-crystallisation-of-conformationally-flexible-molecules(e00131ab-f91f-4bc9-902b-421e4d70fd74).html.

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Crystallising large, flexible molecules, which are becoming more common in pharmaceutical development, often presents significant challenges for chemists and particle scientists. These difficulties are sometimes attributed to the flexibility of the molecule, and the existence of multiple conformers in solution. Structurally related impurities, frequently present when crystallising these materials, can also impact on growth and habit, and both these aspects are considered in this thesis. This work considers two pharmaceutical compounds, a relatively small but nonetheless flexible molecule, ethe

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5

Sandin, Sara. "Cryo-electron tomography of individual protein molecules /." Stockholm, 2005. http://diss.kib.ki.se/2005/91-7140-462-7/.

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6

Weber, Alexander. "Supramolecular organisation, conformation and electronic properties of porphyrin molecules on metal substrates." Thesis, University of British Columbia, 2007. http://hdl.handle.net/2429/201.

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The investigation and control of molecular properties is currently a dynamic research field. Here I present molecular level studies of porphyrin molecules adsorbed on metal surfaces via Low Temperature Scanning Tunneling Microscopy/Spectroscopy (STM/STS), supported by complementary X-ray absorption experiments. Intermolecular and molecule-surface interactions of tetrapyrdil porphyrin (TPyP) on Ag(111) and Cu(111) were investigated. TPyP self-assembles on Ag(111) over a wide sample temperature range into large, highly-ordered 2D chiral domains. By contrast, adsorption of TPyP on the more reacti

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7

Zhang, Fang. "The regulation of conformation and binding kinetics of integrin alphaLbeta2." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/24678.

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Thesis (M. S.)--Biomedical Engineering, Georgia Institute of Technology, 2008.<br>Committee Chair: Zhu, Cheng; Committee Member: Babensee , Julia; Committee Member: Garcia, Andres; Committee Member: McIntire, Larry; Committee Member: Selvaraj, Periasamy; Committee Member: Springer, Timothy

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8

Лопаткін, Юрій Михайлович, Юрий Михайлович Лопаткин, Yurii Mykhailovych Lopatkin, et al. "Biphenyl Molecules as Elements of Nanoelectronics in the Electric Field." Thesis, Sumy State University, 2012. http://essuir.sumdu.edu.ua/handle/123456789/35480.

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This paper presents the results of investigations of the influence of the longitudinal and transverse electric field on the potential surface, the dipole moment and electronic spectra of the substituted biphenyl molecules that are offered for the role of the elements of nanoelectronics. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35480

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9

Nanjunda, Rupesh K. "Sequence-Specific and Conformation-Specific Targeting of Duplex and Quadruplex DNA Grooves with Small Molecules." Digital Archive @ GSU, 2010. http://digitalarchive.gsu.edu/chemistry_diss/47.

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Small molecule mediated chemical intervention of biological processes using nucleic acid targets has proven extremely successful and is continually providing exciting new avenues for the development of anti-cancer agents and molecular probes. Among the alternative DNA confrormations, G-quadruplexes has certainly garnered much recognition due to increase in evidences supporting their involvement in diverse biological process. The grooves of the quadruplexes offer an alternate recognition site for ligand interactions with potentially higher selectivity than the traditional terminal stacking si

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10

Yang, Liu. "From Molecules to Ecosystems: How Do Mosquitoes Respond to Changing Environments?" The Ohio State University, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=osu1500480231260621.

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11

NGADI, LEON. "Synthese de mono et bis-acridinones-9 et thio-9 acridinones substituees en position 1 : analyse conformationnelle et etude de proprietes antimicrobiennes de molecules temoins." Aix-Marseille 2, 1989. http://www.theses.fr/1989AIX22970.

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12

Lapp, Alain. "Synthese, conformation et interactions de molecules lineaires et ramifiees de polydimethylsiloxane : mise en evidence de lois d'universalite." Université Louis Pasteur (Strasbourg) (1971-2008), 1987. http://www.theses.fr/1987STR13108.

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Synthese du polydimethylsiloxane etudie et etude de l'hydrosilation se produisant au cours de la reticulation en solution semidiluee, relation entre la longueur de correlation et la concentration. Interactions a trois corps dans le styrene, solvant theta du pdmsi

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13

Borgogno, Andrea. "Chiral discrimimation and structural analysis of organic molecules by nmr in oriented polypeptide solutions: a computational investigation." Doctoral thesis, Università degli studi di Padova, 2012. http://hdl.handle.net/11577/3422960.

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NMR spectroscopy in liquid crystal solutions of polypeptides has been used for almost two decades, and has been shown to be a useful technique for the structure determination and the chiral discrimination of organic solutes. However the underlying mechanism remains largely unknown and there are several open questions. They concern the nature of the forces which control the anisotropic distribution of solutes: are there specific interactions, like hydrogen bonds, which involve selected chemical groups? Also the effects of co-solvent and temperature are scarcely understood: do they control the p

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14

Bernard, Ayanna Malene. "Molecular modeling of poly(2-ethyl-2-oxazoline)." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/24793.

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Thesis (Ph.D.)--Chemical Engineering, Georgia Institute of Technology, 2009.<br>Committee Chair: Peter Ludovice; Committee Member: Amyn Teja; Committee Member: Arthur Ragauskas; Committee Member: William Koros; Committee Member: Yulin Deng.

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15

Scarbath-Evers, Laura Katharina [Verfasser], Daniel [Gutachter] Sebastiani, and Arthur [Gutachter] Ernst. "Conformation and packing structure of conjugated molecules under external constraints : from solvated proteins to reconstructed surfaces / Laura Katharina Scarbath-Evers ; Gutachter: Daniel Sebastiani, Arthur Ernst." Halle (Saale) : Universitäts- und Landesbibliothek Sachsen-Anhalt, 2019. http://d-nb.info/1210727331/34.

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16

Horwath, Michael C. "Changing the Fate of Histoplasma Capsulatum-infected Cells with Small Molecules: Investigation of Zinc Modifying Agents and the Antioxidant Ferrostatin-1." University of Cincinnati / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=ucin151635627882887.

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17

Di, Pietro Maria Enrica. "RMN dans différents solvants partiellement orientés : pour la détermination de la structure, l’ordre et la conformation de molécules organiques." Thesis, Paris 11, 2013. http://www.theses.fr/2013PA112309/document.

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La spectroscopie RMN alliée à l’utilisation de solvants cristal-liquide fortement et faiblement orientants est une stratégie efficace pour élucider les structures et distributions conformationnelles de petites molécules organiques rigides et flexibles en solution, et déterminer les ordres orientationnel et positionnel des solutés comme des solvants orientés. Dans une première partie, afin d’explorer les différentes contributions aux couplages dipolaires d’un soluté donné, la très faible amplitude de l’ordre orientationnel d’une molécule quasi-sphérique, le tetramethylallène, dissoute dans un n

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18

Kowerko, Danny. "Dynamic Processes in Functionalised Perylene Bisimide Molecules, Semiconductor Nanocrystals and Assemblies." Doctoral thesis, Universitätsbibliothek Chemnitz, 2011. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-64194.

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Funktionalisierte organische Perylenbisimidfarbstoffe (PBI) und aus Cadmiumselenid bestehende Halbleiternanokristalle werden hinsichtlich physikalischer sowie chemischer Wechselwirkungsprozesse miteinander und mit ihrer Umgebung mittels zeitaufgelöster optischer Spektroskopie untersucht. Im Mittelpunkt der Studien an diesem organisch/anorganischen Modellsystem nanoskopischer Größe steht die Aggregatbildungskinetik und die Identifikation und Quantifizierung von Transferpozessen. Die Anbindung der gut löslichen PBI-Farbstoffe an die Oberfläche solcher Halbleiternanokristalle mittels spezieller A

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19

Ecker, Christof. "Conformations of single polymer chains on surfaces." Doctoral thesis, Humboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät I, 2005. http://dx.doi.org/10.18452/15324.

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In dieser Arbeit wurden auf Substratoberflächen adsorbierte Polymermoleküle mit Rasterkraftmikroskopie (RKM) untersucht. Dabei war die Form der Moleküle (Konformation) von besonderem Interesse. Sie ist von zentralerer Bedeutung in der Polymerphysik und wird üblicherweise in Lösung und mit Streumethoden untersucht. Polymerkonformationen auf Oberflächen sind heutzutage noch wenig untersucht. Üblicherweise wird das Verhalten nach dem so genannten Wormlike-Chain Modell angenommen. Es basiert auf der Annahme, dass die Kettenbiegung nur aus thermischen Fluktuationen resultiert, so dass sich

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20

Zhang, Wuyang. "Conformation of 2-fold Anisotropic Molecules Confined on a Spherical Surface." Thesis, 2012. http://hdl.handle.net/10012/6581.

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Anisotropic molecules confined on a spherical or other curved surface can display coupled positional and orientational orderings, which make possible applications in physics, chemistry, biology, and material science. Therefore, controlling the order of such system has attracted much attention recently. Several distinct conformations of rod-like or chain-like molecules confined on a spherical surface have been predicted, including states such as tennis-ball, rectangle, and cut-and-rotate splay. These conformations have four +1/2 defects and are suggested to dominate over the splay conformation

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21

Millan, Sabera. "Protein stability and conformation: Impact of small molecules and cytoplasmic constituents." Thesis, 2019. http://ethesis.nitrkl.ac.in/10060/1/2019_PhD_SMillan_513CY2008_Protein.pdf.

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A variety of small molecules are either directly or indirectly consumed by our body through various sources. These small molecules might cause changes in the biological processes upon their interaction with different proteins present inside the body. Therefore, investigation of the interaction between various types of small molecules and proteins is crucial owing to its biomedical implications to understand the binding pattern and changes in structure and functions of proteins under physiological conditions. Additionally, the interaction of small molecules also shows the ability to regulate th

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22

Ngongang, Ndjawa Guy Olivier. "Impact of Interfacial Molecular Conformation and Aggregation State on the Energetic Landscape and Performance in Organic Photovoltaics." Diss., 2016. http://hdl.handle.net/10754/621923.

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In organic photovoltaics (OPVs) the key processes relevant to device operation such as exciton dissociation and free carriers recombination occur at the donor-acceptor (D-A) interface. OPV devices require the bulk heterojunction (BHJ) architecture to function efficiently. In these BHJs, D-A interfaces are arranged in three dimensions, which makes molecular arrangements at these interfaces ill defined and hard to characterize. In addition, molecular materials used in OPVs are inherently disordered and may exhibit variable degrees of structural order in the same BHJ. Yet, D-A molecular arrangeme

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23

Yun, Bo-Geon. "Studies of HSP90 function on signal transduction molecules in C2C12 cells and effects of novobiocin on HSP90 conformation and function and mechanism of regulation of heme-regulated eIF2a kinase by gas molecules." 2004. http://digital.library.okstate.edu/etd/umi-okstate-1205.pdf.

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24

Kowerko, Danny. "Dynamic Processes in Functionalised Perylene Bisimide Molecules, Semiconductor Nanocrystals and Assemblies." Doctoral thesis, 2010. https://monarch.qucosa.de/id/qucosa%3A19436.

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Funktionalisierte organische Perylenbisimidfarbstoffe (PBI) und aus Cadmiumselenid bestehende Halbleiternanokristalle werden hinsichtlich physikalischer sowie chemischer Wechselwirkungsprozesse miteinander und mit ihrer Umgebung mittels zeitaufgelöster optischer Spektroskopie untersucht. Im Mittelpunkt der Studien an diesem organisch/anorganischen Modellsystem nanoskopischer Größe steht die Aggregatbildungskinetik und die Identifikation und Quantifizierung von Transferpozessen. Die Anbindung der gut löslichen PBI-Farbstoffe an die Oberfläche solcher Halbleiternanokristalle mittels spezieller A

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25

Codina-Fauteux, Valérie-Anne. "Investigation des variants génétiques dans la dysfonction endothéliale et le risque de maladies cardiovasculaires." Thèse, 2018. http://hdl.handle.net/1866/22272.

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