Dissertations / Theses on the topic 'Chemical structure'
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Thakur, Smita. "A viewer for chemical structure /." Leeds, 2001. http://www.leeds.ac.uk/library/counter2/compstmsc/20002001/thakur.doc.
Full textWalsh, Catherine. "The chemical structure of protoplanetary disks." Thesis, Queen's University Belfast, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.534583.
Full textLyndin, M. "Chemical structure of breast cancer concrements." Thesis, Sumy State University, 2015. http://essuir.sumdu.edu.ua/handle/123456789/40562.
Full textIida, Kenji. "Systematic understanding of chemical process in solution." 京都大学 (Kyoto University), 2012. http://hdl.handle.net/2433/157607.
Full textDidsbury, Matthew Paul. "The influence of chemical structure of model epoxy networks on chemical resistance." Thesis, Durham University, 2014. http://etheses.dur.ac.uk/11009/.
Full textJing, Pu. "Purple corn anthocyanins chemical structure, chemoprotective activity and structure/function relationships /." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1155738398.
Full textJing, Pu. "Purple corn anthocyanins: chemical structure, chemoprotective sctivity and structure/function relationships." The Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc_num=osu1155738398.
Full textMoscicki, Angelique (Angelique E. ). "ChemWARD : extracting chemical structure from printed diagrams." Thesis, Massachusetts Institute of Technology, 2009. http://hdl.handle.net/1721.1/61299.
Full textCataloged from PDF version of thesis.
Includes bibliographical references (p. 117-118).
Over the years, a vast amount of literature in the field of chemistry has accumulated, and searching for documents about specific molecules is a formidable task. To the extent that the literature is textual, services like Google enable relatively easy search. While search indexes like Google are very good at finding such things, its difficult to describe molecules completely using text because text can't easily indicate molecular structure, and molecular structure defines chemical properties. ChemWARD is a system that extracts the molecular structure from the printed diagrams that are ubiquitous in chemistry literature and converts them to a machine readable format in order to allow chemists to search the literature by drawing a molecular structure instead of typing a chemical formula. We describe the architecture of the system and report on its performance, demonstrating its ability to achieve an overall accuracy rate of 85.5% on printed diagrams extracted from published chemical literature.
by Angelique Moscicki.
M.Eng.
Robustelli, Paul. "Protein structure determination from NMR chemical shifts." Thesis, University of Cambridge, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.609027.
Full textAbildgaard, Jens. "Quantum chemical models in molecular structure elucidation /." Roskilde : Roskilde University, Department of Life Sciences and Chemistry, 1998. http://hdl.handle.net/1800/535.
Full textGabriel, Christopher. "Effect of localized structural perturbations on dendrimer structure." Columbus, Ohio : Ohio State University, 2006. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1155662110.
Full textButler, J. "Coal structure." Thesis, University of Newcastle Upon Tyne, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.378290.
Full textHenriksson, Marielle. "Cellulose nanocomosite films : processing, structure and properties." Licentiate thesis, KTH, Aeronautical and Vehicle Engineering, 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-350.
Full textua, holovko@icmp lviv. "Chemical association and electronic structure: A new theoretical." Journal, 1997. http://www.fluid.iqfr.csic.es/papers/chem_aso/chem_aso.html.
Full textDrynan, James Warren. "Elucidating the chemical structure of black tea thearubigins." Thesis, University of Surrey, 2009. http://epubs.surrey.ac.uk/843537/.
Full textLi, Weiyao. "Chemical structure and optical functions of synthetic melanin." University of Akron / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=akron1627042724510547.
Full textGallagher, Oliver Paul. "Structure and synthesis in natural product chemistry /." [St. Lucia, Qld. : s.n.], 2002. http://www.library.uq.edu.au/pdfserve.php?image=thesisabs/absthe16653.pdf.
Full textChanamé, Domínguez Julio César. "Topics of galactic structure and stellar and chemical evolution." Connect to resource, 2005. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1126128106.
Full textTitle from first page of PDF file. Document formatted into pages; contains xv, 286 p.; also includes graphics (some col.). Includes bibliographical references (p. 275-286). Available online via OhioLINK's ETD Center
Mallon, James M. "Floc structure and the improvement of chemical water cleaning." Thesis, Queen's University Belfast, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.324839.
Full textOakley, Angela L. "Typesetting of integrated scientific text and chemical structure diagrams." Thesis, University of Portsmouth, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.237873.
Full textSiddiqui, Mohammad Nahid. "Studies on structure and chemical composition of Arabian asphalt." Thesis, Heriot-Watt University, 1997. http://hdl.handle.net/10399/671.
Full textZou, Tingting. "Chemical Biology Approaches for Investigating Nucleosome Structure and Accessibility." Kyoto University, 2018. http://hdl.handle.net/2433/232271.
Full textChaname, Julio. "Topics of galactic structure and stellar and chemical evolution." The Ohio State University, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=osu1126128106.
Full textKim, Yang-Soo. "Electronic Structure and Chemical Bonding of Transition Metal Dichalcogenides." Kyoto University, 1999. http://hdl.handle.net/2433/181809.
Full textHaworth, Naomi Louise. "Quantum Chemical Studies of Thermochemistry, Kinetics and Molecular Structure." Thesis, The University of Sydney, 2003. http://hdl.handle.net/2123/509.
Full textHaworth, Naomi Louise. "Quantum Chemical Studies of Thermochemistry, Kinetics and Molecular Structure." University of Sydney. Chemistry, 2003. http://hdl.handle.net/2123/509.
Full textRonneteg, Sabina. "Chemical Tuning of the Magnetic Interactions in Layer Structures." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-5973.
Full textJarvis, J. "Occupational allergy to low molecular weight organic chemicals : the role of structure in determining chemical hazard." Thesis, University of Edinburgh, 1999. http://hdl.handle.net/1842/28300.
Full textMoosavian, Mohammad Ali. "The structure and stability of liquid foam." Thesis, University of Manchester, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.332024.
Full textRazi, Javeed. "Investigation of the structure of coal using ultrasonic energy." Thesis, McGill University, 1994. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=28519.
Full textEach of the extracts were analyzed in the following ways: (a) Ultimate analysis; (b) Molecular weight determination; (c) FT-IR spectra; (d) Differential scanning calorimetry; and (e) Thermogravimetric analysis.
In the extraction process the first extraction was simple Soxhlet extraction. The residue from this was irradiated with ultrasonic energy and then re-extracted. The residue of the second extraction was ground to a small size and re-extracted without using ultrasonics. The fourth extraction was on the residue of the third extract, using ultrasonics.
In general the molecular weight of each successive extract increased while the amount of extract decreased. From the chemical analysis and the molecular weights it appears that the successive extracts are, by and large, members of a family of addition polymers. This finding, coupled with the fact that over 60% of the total coal could be extracted by the procedures used, shows that the bulk of this coal does not consist of a cross-linked polymer.
As was shown in previous research the rate of extraction using ultrasonic energy did not rupture and chemical bonds and the extraction rate curve approximated that predicted by Fick's Law, being slightly lower initially and slightly higher later. This work confirmed this. It can be concluded that the only effect of the ultrasonic irradiation was to speed up the relaxation of the glassy coal matrix and release the small molecules so that they could diffuse.
The diffusivities of the molecules being extracted was determined for different sized particles. The apparent diffusivity became smaller as the particle size became smaller. This is the opposite of what would be expected if the molecules were diffusing out of small pores.
To explain this anomalous effect it has been hypothesized that many of the coal molecules are trapped inside a molecular cage or clathrate, which has been formed from fossilized lignin of the original plants.
Some auxiliary experiments were carried out to ascertain the practicability of shattering the coal by soaking the coal particles in a liquid at high pressure and temperature and then suddenly releasing the pressure to let the liquid flash to vapor. The process worked well to produce small coal particles, but there were difficulties in recovering all the coal particles when pyridine was used as the liquid.
Lutkenhaus, Jodie Lee. "Ion transport and structure of layer-by-layer assemblies." Thesis, Massachusetts Institute of Technology, 2007. http://hdl.handle.net/1721.1/39346.
Full text"June 2007."
Includes bibliographical references.
Layer-by-layer (LbL) films of various architectures were examined as potential solid state electrolytes for electrochemical systems (e.g. batteries and fuel cells). The relationship between materials properties and ion transport within LbL films was investigated in three systems, described below. The observed structure and properties aid in the design of tunable ultra thin electrolytes. The thermal and mechanical properties of PEO/PAA films were evaluated, aided by a new peel-away technique. Results indicated that the glass transition temperature (Tg) of PEO/PAA films decreases with increasing assembly pH, but when assembled in the presence of salt, the Tg, remains constant. Results indicate that the degree of inter- and intramolecular PAA hydrogen bonding, evidenced by FTIR spectroscopy, controls the observed Tg. The ionic conductivity was found to increase with increasing charge carrier concentration (doping during assembly) and with humidity. Maximum room temperature dry conductivity was -108 S cm-1. Polymer-clay nanocomposites were investigated for structural and transport anisotropy. LPEI/Laponite/PEO films demonstrated an oriented structure where clay nanoplatelets lay parallel to the substrate and assembly in sheets with polymer in-between.
(cont.) In-plane conductivity was 100 (or 7) times higher than cross-plane conductivity in the dry (or 53 % humidity) state. Porous coatings of LPEI and PAA were investigated as potential ultra thin porous supports for non-aqueous liquid electrolyte. The effect of assembly pH and post-assembly treatment ph upon the pore size, porosity, surface roughness and structure was study. Films assembled at ph 5 and treated at pH 2.25 demonstrated the highest porosity (77 %) and two room temperature, dry conductivities of 10-6 and 10-9 S cm-1. The two observed conductivities, or time constants, was attributed to ion transport through liquid-filled pores and the matrix itself.
by Jodie Lee Lutkenhaus.
Ph.D.
Yanna, Alakananda. "Development of Strategies in Protein Crystallization for Structure Determination." University of Toledo / OhioLINK, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1449080492.
Full textPastorino, Andres J. "Effect of Chemical Parameters on Structure-Function Relationships of Cheese." DigitalCommons@USU, 2002. https://digitalcommons.usu.edu/etd/5498.
Full textNohako, Kanyisa L. "Organic clathrates : structure and reactivity." Thesis, Cape Peninsula University of Technology, 2009. http://hdl.handle.net/20.500.11838/740.
Full textThe host compound 9-(4-methoxyphenyl)-9H-xanthen-9-01 (AI) forms inclusion compounds with the solid guests l -naphthylamine (NAPH), 8-hydroxyquinoline (HQ). acridine (ACRI), 1,4 - diazabicyclo[2.2.2]octane (DABCO) and a liquid guest benzaldehyde (BENZAL). All four structures AI·YzNAPH, AI· Y,HQ AI·ACRI and AI ·Y,DABCO were successfully solved in the triclinic space group P I . The structure of AI·Y,BENZAL was successfully solved in the monocl inic space group P2dn . Similar packin g motifs arise for the NAPH and HQ inclusion compounds where the main interaction is of the fonm (Host)-OH····O-(Host). Both the DABCO and the ACRI guests hydrogen bond to the host molecule. The host: guest ratios for A I·ACRI. AI· Y,NAPH. A I· Y,DABCO and A I· YzHQ were found using nuclear magnetic resonance (NMR) spectroscopy. The host:guest ratio for AI·YzBENZAL was found using thenmogravimetric analysis. Enthalpy changes of the inclusion compounds were monitored using differential scanning calorimetry (DSC). Kinetics of desolvation for AI·Y,BENZAL were conducted using a non - isothenmal method where we have obtained an activation energy range of 74 k J morl - 86 k J mor' . The solid - solid reaction kinetics for A I·Y,NAPH, A I· Y,HQ, AI·ACRI and AI ·Y,DABCO were determined at room temperature using powder X-ray diffraction (PXRD).
Fesinmeyer, Robert Matthew. "Chemical shifts define the structure and folding thermodynamics of polypeptides /." Thesis, Connect to this title online; UW restricted, 2005. http://hdl.handle.net/1773/11621.
Full textAndersson, Patrik. "Physico-chemical characteristics and quantitative structure-activity relationships of PCBs." Doctoral thesis, Umeå University, Chemistry, 2000. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-17.
Full textThe polychlorinated biphenyls (PCBs) comprise a group of 209 congeners varying in the number of chlorine atoms and substitution patterns. These compounds tend to be biomagnified in foodwebs and have been shown to induce an array of effects in exposed organisms. The structural characteristics of the PCBs influence their potency as well as mechanism of action. In order to assess the biological potency of these compounds a multi-step quantitative structure-activity relationship (QSAR) procedure was used in the project described in this thesis.
The ultraviolet absorption (UV) spectra were measured for all 209 PCBs, and digitised for use as physico-chemical descriptors. Interpretations of the spectra using principal component analysis (PCA) showed the number of ortho chlorine atoms and para-para substitution patterns to be significant. Additional physico-chemical descriptors were derived from semi-empirical calculations. These included various molecular energies, the ionisation potential, electron affinity, dipole moments, and the internal barrier of rotation. The internal barrier of rotation was especially useful for describing the conformation of the PCBs on a continuous scale.
In total 52 physico-chemical descriptors were compiled and analysed by PCA for the tetra- to hepta-chlorinated congeners. The structural variation within these compounds was condensed into four principal properties derived from a PCA for use as design variables in a statistical design to select congeners representative for these homologue-groups. The 20 selected PCBs have been applied to study structure-specific biochemical responses in a number of bioassays, and to study the biomagnification of the PCBs in various fish species.
QSARs were established using partial least squares projections to latent structures (PLS) for the PCBs potency to inhibit intercellular communication, activate respiratory burst, inhibit dopamine uptake in synaptic vesicles, compete with estradiol for binding to estrogen receptors, and induce cytochrome P4501A (CYP1A) related activities. By the systematic use of the designed set of PCBs the biological potency was screened over the chemical domain of the class of compounds. Further, sub-regions of highly potent PCBs were identified for each response measured. For risk assessment of the PCBs potency to induce dioxin-like activities the predicted induction potencies (PIPs) were calculated. In addition, two sets of PCBs were presented that specifically represent congeners of environmental relevance in combination with predicted potency to induce estrogenic and CYP1A related activities.
Moni, Bidin Christian. "Kinematical and Chemical Vertical Structure of the Galactic Thick Disk." Tesis, Universidad de Chile, 2009. http://www.repositorio.uchile.cl/handle/2250/102108.
Full textJürgensen, Astrid. "Probing electronic structure and chemical bonding with x-ray spectroscopy." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0034/NQ46862.pdf.
Full textCrispin, Annica. "Chemical and electronic structure of interfaces in organic-based devices /." Linköping : Univ, 2002. http://www.bibl.liu.se/liupubl/disp/disp2002/tek781s.pdf.
Full textWang, Hao. "Design of a Structure Search Engine for Chemical Compound Database." Digital Archive @ GSU, 2008. http://digitalarchive.gsu.edu/cs_diss/33.
Full textSadawi, Noureddin. "A rule-based approach for recognition of chemical structure diagrams." Thesis, University of Birmingham, 2013. http://etheses.bham.ac.uk//id/eprint/4325/.
Full textGooch, Carolyn A. "Quantitative structure-activity relationships : a biophysical, chemical and calorimetric study." Thesis, Royal Holloway, University of London, 1988. http://repository.royalholloway.ac.uk/items/26719d55-b208-4995-bef0-92e4f0f80c0e/1/.
Full textQian, Kun. "Effect of Chemical Structure on Tribological Behavior of Base Oils." Miami University / OhioLINK, 2021. http://rave.ohiolink.edu/etdc/view?acc_num=miami1619112362542091.
Full textKnight, Daniel William. "Reactor behavior and its relation to chemical reaction network structure." The Ohio State University, 2015. http://rave.ohiolink.edu/etdc/view?acc_num=osu1438274630.
Full textYang, Emma. "Chemical, metabolic and structure-activity relationships to probe abacavir toxicity." Thesis, University of Liverpool, 2014. http://livrepository.liverpool.ac.uk/2008286/.
Full textJabur, Alaa Wazir. "Investigations of the physical and chemical structure of archaeological fibres." Thesis, University of Manchester, 2014. https://www.research.manchester.ac.uk/portal/en/theses/investigations-of-the-physical-and-chemical-structure-of-archaeological-fibres(a2683a0a-764b-4287-9fa2-1a48b7cee06e).html.
Full textBroadley, Michael Ward. "Tracing mantle structure and chemical evolution using noble gas isotopes." Thesis, University of Manchester, 2015. https://www.research.manchester.ac.uk/portal/en/theses/tracing-mantle-structure-and-chemical-evolution-using-noble-gas-isotopes(a231d757-1535-4edd-899c-b2ecff0accf9).html.
Full textSohn, Young-Soo. "MEMS based microfluidic structure for biological and chemical sensor array /." Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3008446.
Full textBagchi, Bhaskar. "Quantum chemical calculation and structure activity relationship of bioactive terpenoids." Thesis, University of North Bengal, 2016. http://ir.nbu.ac.in/handle/123456789/2762.
Full textBancroft, Naomi. "Infrared behavior of structure I methane and carbon dioxide hydrates." Thesis, McGill University, 2006. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=99402.
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