Дисертації з теми "Ionic and molecular recognition"
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Sen, Ananya. "Chiral recognition in neutral and ionic molecular complexes." Thesis, Paris 11, 2012. http://www.theses.fr/2012PA112163/document.
Повний текст джерелаThe main objective of this thesis is a spectroscopic study of molecules or complexes bearing multiple chiral centres in the gas phase, to understand the effects of stereochemistry on their structural properties. Neutral cinchona alkaloids have been introduced intact in gas phase by laser-ablation. They have been studied by combining supersonic expansion with laser spectroscopy. The two pseudo-enantiomers Quinine and Quinidine show similar electronic and vibrational spectra, in line with similar structure. Their properties in solution differ more, as shown by Vibrational Circular Dichroism (VCD) experiments. This difference is further enhanced in Hydroquinine and Hydroquinidine. Lastly chiral recognition has been studied in ionic complexes in an ion trap. A homochiral preference has been shown in the stability of the complexes formed between S-Camphor and R and S protonated Alanine. However, the calculated interaction energy as well as the IRMPD spectrum in the fingerprint region are identical. The role of higher energy conformers in chiral recognition has been discussed
Cheng, Shijing. "Synthesis and Characterization of Cation-Containing and Hydrogen Bonding Supramolecular Polymers." Diss., Virginia Tech, 2011. http://hdl.handle.net/10919/77185.
Повний текст джерелаPh. D.
Benedek, Nicole Ann, and n. benedek@gmail com. "Interactions in ionic molecular crystals." RMIT University. Applied Sciences, 2006. http://adt.lib.rmit.edu.au/adt/public/adt-VIT20070109.161440.
Повний текст джерелаYang, Junhong. "GLASS FORMATION BEHAVIOR AND IONIC CONDUCTIVITY OF IONIC LIQUIDS AND POLYMERIC IONIC LIQUID: INSIGHT FROM MOLECULAR SIMULATION." University of Akron / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=akron1494886213137829.
Повний текст джерелаOng, Tien Teng. "Crystal Engineering of Molecular and Ionic Cocrystals." Scholar Commons, 2011. http://scholarcommons.usf.edu/etd/3270.
Повний текст джерелаChen, Long-Qing 1962. "Molecular dynamics study of ionic grain boundaries." Thesis, Massachusetts Institute of Technology, 1990. https://hdl.handle.net/1721.1/128799.
Повний текст джерелаIncludes bibliographical references (leaves 240-244).
by Long-Qing Chen.
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 1990.
Yu, Shu W. "Ionic and molecular diffusion in cementitious materials." Thesis, Aston University, 1990. http://publications.aston.ac.uk/14273/.
Повний текст джерелаRaskatov, Jevgenij A. "Rational design of chiral ionic recognition for asymmetric catalysis." Thesis, University of Oxford, 2008. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.497082.
Повний текст джерелаBrown, Susan Elizabeth. "Molecular recognition by cyclodextrins /." Title page, contents and abstract only, 1994. http://web4.library.adelaide.edu.au/theses/09PH/09phb8798.pdf.
Повний текст джерелаWestwell, Martin Stuart. "Cooperativity in molecular recognition." Thesis, University of Cambridge, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.388343.
Повний текст джерелаGrail, Barry Mark. "Molecular recognition of peptides." Thesis, Bangor University, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248898.
Повний текст джерелаWelsh, Fraser E. "Flavocytochrome b₂ : molecular recognition." Thesis, University of Edinburgh, 1998. http://hdl.handle.net/1842/11539.
Повний текст джерелаPetti, Michael A. Dougherty Dennis A. "Studies in molecular recognition /." Diss., Pasadena, Calif. : California Institute of Technology, 1988. http://resolver.caltech.edu/CaltechETD:etd-04272006-160954.
Повний текст джерелаCATTANEO, VITTORIO. "OLIGOSACCHARIDES AND MOLECULAR RECOGNITION." Doctoral thesis, Università degli Studi di Milano, 2014. http://hdl.handle.net/2434/229556.
Повний текст джерелаParker, Qamreen. "Molecular simulations of ionic liquids for CO2 capture." Thesis, University College London (University of London), 2018. http://discovery.ucl.ac.uk/10048467/.
Повний текст джерелаStephens, R. Michael (Robert Michael). "Molecular imprinting and ionic crossliking in polymer gels." Thesis, Massachusetts Institute of Technology, 1994. http://hdl.handle.net/1721.1/11062.
Повний текст джерелаTangney, Paul. "Improving molecular-dynamics simulations of simple ionic systems." Doctoral thesis, SISSA, 2002. http://hdl.handle.net/20.500.11767/3940.
Повний текст джерелаAlaparthi, Madhubabu. "Molecular Recognition Involving Anthraquinone Derivatives and Molecular Clips." Thesis, University of South Dakota, 2017. http://pqdtopen.proquest.com/#viewpdf?dispub=10285748.
Повний текст джерелаIn the past, we have demonstrated that 1,8-anthraquinone-18-crown-5 (1) and its heterocyclic derivatives act as luminescent hosts for a variety of cations of environmental and clinical concern. We report here a series of heteroatom-substituted macrocycles containing an anthraquinone moiety as a fluorescent signaling unit and a cyclic polyheteroether chain as the receptor. Sulfur, selenium, and tellurium derivatives of 1,8-anthraquinone-18-crown-5 (1) were synthesized by reacting sodium sulfide (Na2S), sodium selenide (Na2Se) and sodium telluride (Na2Te) with 1,8-bis(2-bromoethylethyleneoxy)anthracene - 9,10-dione in a 1:1 ratio (2,3, and 6). These sensors bind metal ions in a 1:1 ratio (7 and 8), and the optical properties of the new complexes were examined and the sulfur and selenium analogues show that selectivity for Pb(II) is markedly improved as compared to the oxygen analogue 1 which was competitive for Ca(II) ion.
Selective reduction of 1 yields secondary alcohols where either one or both of the anthraquinone carbonyl groups has been reduced ( 15 and 9). A new mechanism for the fluorescence detection of metal cations in solution is introduced involving a unique keto-enol tautomerization. Reduction of 1 yields the doubly reduced secondary alcohol, 9. 9 acts as a chemodosimeter for Al(III) ion producing a strong blue emission due to the formation of the anthracene fluorophore, 10, via dehydration of the internal secondary alcohol in DMSO/aqueous solution. The enol form is not the most thermodynamically stable form under these conditions however, and slowly converts to the keto form 11.
Currently we are focusing on cucurbituril derivatives, also described as molecular clips due to their folded geometry used as molecular recognition hosts. We first investigated the synthesis and characterization of aromatic methoxy/catechol terminated cucurbituril units that act as hosts for small solvent molecules, such as CH2Cl2, CH3CN, DMF, and MeOH, through dual pi…H-C T-shaped interactions. We have calculated the single-point interaction energies of these non-covalent interactions and compared them to the dihedral angle formed from the molecular clip. We have also synthesized a molecular clip that contains terminal chelating phenanthroline ligands. This tetradentate ligand shows 2:3 metal:ligand binding with Fe(II) and 1:2 metal:ligand binding with Co(II) and Ni(II) cations.
Lane, Ian C. "Photodissociation studies of neutral and ionic molecules." Thesis, University of Nottingham, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.335856.
Повний текст джерелаJiang, Yu-Lin. "Molecular recognition of biotin derivatives /." Title page, contents and abstract only, 1999. http://web4.library.adelaide.edu.au/theses/09PH/09phj5998.pdf.
Повний текст джерелаMackay, Joel Peter. "Probing molecular recognition in nature." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.318437.
Повний текст джерелаTovilla, Cao-Romero Jorge Alberto Francisco. "Molecular recognition with metal complexes." Thesis, Imperial College London, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.436343.
Повний текст джерелаMoral, Natalia Perez. "Molecular recognition in polymeric microparticles." Thesis, University of Reading, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.343068.
Повний текст джерелаShimizu, Ken. "New scaffolds for molecular recognition." Thesis, Massachusetts Institute of Technology, 1995. http://hdl.handle.net/1721.1/32677.
Повний текст джерелаConn, Michael Morgan. "Molecular recognition of adenosine derivatives." Thesis, Massachusetts Institute of Technology, 1994. http://hdl.handle.net/1721.1/17346.
Повний текст джерелаHollfelder, Florian. "Molecular recognition of transition states." Thesis, University of Cambridge, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.624786.
Повний текст джерелаMountford, Christopher Paul. "Molecular recognition with DNA nanoswitches." Thesis, University of Edinburgh, 2008. http://hdl.handle.net/1842/12121.
Повний текст джерелаGong, Yun. "Molecular Recognition at the Membrane." The Ohio State University, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=osu1261499732.
Повний текст джерелаSteele, John. "Molecular recognition in plant immunity." Thesis, University of East Anglia, 2016. https://ueaeprints.uea.ac.uk/58564/.
Повний текст джерелаMartinez, N. C. Forero. "Molecular models for protic ionic liquids and related systems." Thesis, Queen's University Belfast, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.557414.
Повний текст джерелаGolden, Christopher Alex. "Polymer-supported pincers for selective molecular and ionic binding." Thesis, University of Southampton, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.485546.
Повний текст джерелаTakahashi, Nanako. "Molecular dynamics modeling of ionic liquids in electrospray propulsion." Thesis, Massachusetts Institute of Technology, 2010. http://hdl.handle.net/1721.1/59700.
Повний текст джерелаCataloged from PDF version of thesis.
Includes bibliographical references (p. 119-124).
Micro-propulsion has been studied for many years due to its applications in small-to-medium sized spacecraft for precise satellite attitude control. Electrospray thrusters are promising thrusters built upon the state of the art in micro-technology and with flexible performance in terms of their high efficiency and high specific impulse. One challenge is to investigate in detail the mechanism for ion emission to complement experimental results and understand better how emission occurs in the micro to nano scale. Thus, atomistic modeling is used to understand properties of emitted charged particles which determine how the thrusters perform. As a preliminary study of ion emission from Taylor cones, ion evaporation from 3 - 5 nm droplets was observed in molecular dynamics (MD) simulations to validate the atomistic modeling and to investigate activation energies. Ion emission was examined in terms of internal and external electric fields and the activation energies of each case were obtained using Schottky's model and direct energy calculation to compare with experimental values. Ion emission was mainly observed with electric field strengths between 1.2 -2.0 V/nm and the emitted species include both solvated and non-solvated ions. Propulsive properties from Taylor cones are examined using results from the analysis of electric current from ion emission. In addition to an observation of ion emission from liquid droplets, numerical simulations for interactions between a solid plate and liquid droplets were conducted with MD simulation. It was concluded that another selection of force field needs to be considered to pursue further details, such as electrochemical effects.
by Nanako Takahashi.
S.M.
Coles, Samuel. "Interfacial nanostructure of solvate ionic liquids and ionic liquid solutions." Thesis, University of Oxford, 2018. https://ora.ox.ac.uk/objects/uuid:89c797e4-e000-4c8c-b6b8-ffa5ed202a4d.
Повний текст джерелаWilson, Mark. "Many-body effects in ionic systems." Thesis, University of Oxford, 1994. http://ora.ox.ac.uk/objects/uuid:3c66daa2-5318-40d2-a445-15296d598a57.
Повний текст джерелаSchauenburg, Andrea J. A. "Molecular mechanisms underlying pMHC-II recognition." Thesis, Cardiff University, 2016. http://orca.cf.ac.uk/96291/.
Повний текст джерелаBeck, Elizabeth Rose. "Molecular recognition by novel macrocyclic compounds." Thesis, University of Hull, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.337244.
Повний текст джерелаDondi, Ruggero. "Directed metallisation using molecular recognition tools." Thesis, University of Leicester, 2012. http://hdl.handle.net/2381/11030.
Повний текст джерелаHuxley, Allen John McAllister. "Switches based on molecular recognition processes." Thesis, Queen's University Belfast, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322948.
Повний текст джерелаStanley, Simon Mark. "Molecular imprinting for sensor recognition elements." Thesis, Nottingham Trent University, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.271781.
Повний текст джерелаHubbard, Simon Jeremy. "Analysis of protein-protein molecular recognition." Thesis, University College London (University of London), 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.360151.
Повний текст джерелаWang, Changnan. "Gel phase transition and molecular recognition." Thesis, Massachusetts Institute of Technology, 1997. http://hdl.handle.net/1721.1/43921.
Повний текст джерелаMiller, Kiley Preston-Halfmann. "Molecular recognition of chlorine-doped polypyrrole." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/33864.
Повний текст джерелаVita.
Includes bibliographical references (p. 108-111).
The objective of this work is to functionalize an existing polymer such that it better mimics natural tissue for tissue growth and regeneration. Numerous other processes have tried and accomplished this by non-specific protein adsorption, covalent attachment, biomolecule entanglement, and synthesis of new polymers with the desired functionality. The focus of this work is to modify the polymer's binding capability to cells while not altering the bulk properties. Through the use of both phage display of peptide libraries and yeast surface display of scFv libraries the surface of chlorine-doped polypyrrole (PPyCl) has been modified to facilitate binding of neuronal phenotype cells. The selection of peptides using phage display found a surface specific recognition peptide (T59) that was made bivalent by altering the C-terminus with an integrin binding epitope. The bivalency of the modified T59 peptide was exploited to tether phenochromocytoma (PC12) cells to the surface of PPyCl. Furthermore the tethering of the cells to PPyCl through the peptide does not decrease the cells neuronal function and maintains the bulk conductive polymers characteristics. Using the peptide as a bivalent linker, the addition of other types of cells, drugs, growth factors, and enzymes could be incorporated for various biomedical applications.
(cont.) An antibody (Y2) specific to PPyC1 was found using yeast surface display. This antibody was utilized to mediate cellular binding to PPyCl by expression of the antibody on the surface of PC12 cells. Complimenting the peptide studies of having an exterior bivalent linker the antibody recognition provides the means for any cell type to adhere to PPyCl, through expression of the antibody on the surface of the cell. This type of system could be used for various types of tissue growth supports.
by Kiley Preston-Halfmann Miller.
Ph.D.
Park, Tae Kyo. "Molecular recognition of nucleic acid components." Thesis, Massachusetts Institute of Technology, 1992. http://hdl.handle.net/1721.1/13113.
Повний текст джерелаBeauregard, Daniel Aaron. "Molecular recognition by vancomycin-group antibiotics." Thesis, University of Cambridge, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.627484.
Повний текст джерелаEpa, Kanishka Navodh. "Understanding and fine tuning molecular recognition." Diss., Kansas State University, 2013. http://hdl.handle.net/2097/16239.
Повний текст джерелаDepartment of Chemistry
Christer B. Aakeröy
Co-crystallization allows the manipulation of physical properties of a given compound without affecting its chemical behavior. The ability to predict hydrogen bonding interactions, provides means to the rational design of supramolecular architectures. It also makes it possible to select with a degree of accuracy, a few co-formers that have a high probability of forming co-crystals with a compound of interest, instead of blindly screening against a large number of candidates. To study the effects of changing electronic environment on the ability to form co-crystals, five symmetric dioximes of different hydrogen bond donating ability were synthesized with different functional groups on the carbon α to the oxime moiety. It was shown that the supramolecular yield increase with the positive MEP value on the donor site. In order to further explore this relationship between calculated MEP values and supramolecular selectivity three asymmetric ditopic donors containing phenol carboxylic acid and aldoxime groups were screened against a series of asymmetric ditopic acceptors. Nine crystal structures show that the supramolecular outcome can be predicted according to Etter’s rules by ranking donors and acceptors according to calculated MEP values. To explore the possibility of using the same approach with other hydrogen bond donors, three asymmetric ditopic donor ligands containing cyanooxime groups were synthesized and screened against a series of asymmetric ditopic acceptors. Nine out of ten times the supramolecular outcome could be predicted by MEP calculations 1-deazapurine exists in two tautomeric forms (1H and 3H) in aqueous solution, which have very different hydrogen bonding environments. The 3H tautomer forms a self-complementary dimer involving a donor and an acceptor site leaving a second acceptor site vacant. In order to stabilize this tautomer the molecule was screened against a of series hydrogen and halogen bond donors. Four out of five structures obtained showed 3H tautomer. The 1H tautomer is the geometric complement of urea. Therefore the molecule was screened against a series of N,N-diphenylureas and all five structures showed the 1H tautomer.
Daldrop, Peter. "Structure and molecular recognition in riboswitches." Thesis, University of Dundee, 2011. https://discovery.dundee.ac.uk/en/studentTheses/db338d42-75c1-43a6-be6a-11399f04989e.
Повний текст джерелаFortugno, Cecilia <1986>. "Multimethodological study of molecular recognition phenomena." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2014. http://amsdottorato.unibo.it/6376/1/fortugno_cecilia_tesi.pdf.
Повний текст джерелаFortugno, Cecilia <1986>. "Multimethodological study of molecular recognition phenomena." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2014. http://amsdottorato.unibo.it/6376/.
Повний текст джерелаObrocea, Gabriela Valeria. "Ionic mechanisms of anoxia : potential role for y-aminobutyric acid." Thesis, University of Ottawa (Canada), 1998. http://hdl.handle.net/10393/4348.
Повний текст джерелаGrotzfeld, Robert M. (Robert Martin). "Studies in molecular recognition : self-assembling molecular host-guest sytems." Thesis, Massachusetts Institute of Technology, 1996. http://hdl.handle.net/1721.1/10865.
Повний текст джерела