Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 56 for “"chemical information"”.
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Synchrotron radiation as a probe of chemical information using novel experimental configurations
Determination of chemical information with synchrotron radiation is an area of great scientific interest, and expanding the range of available techniques is the topic of this dissertation. The experimental methods described herein allows for a significant advancement of the availability of subtle …
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Using biological and chemical information to improve understanding of drug mechanism of action on the systems-level
… to the drug discovery process. Biological and chemical information e.g., transcriptomics data is increasingly becoming easier to measure by high throughput methods, and large amounts of this type of data are available in the public domain. Such information can be used with methods such as …
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Scanning angle Raman spectroscopy in polymer thin film characterization
… change. The technique is capable of obtaining chemical information, measuring submicron thickness, and detecting buried thin polymer layer from bilayer thin films.</p>
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Chemical analysis of polymer blends via synchrotron X-ray tomography
… X-ray tomography has been used to obtain spatial chemical information about various polymer blends. The spatial images are acquired with synchrotron X-ray tomography because of its rapidity, good spatial resolution, large field-of-view, and elemental sensitivity. The spatial absorption data …
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Coupling qualitative and quantitative analyses of pharmaceutical materials enabled by second harmonic generation microscopy
… (SNR) detection of crystallinity, the intrinsic chemical information content within SHG images is relatively low. In cases of trace crystallinity and/ or small crystal volumes, new tools capable of rapid, qualitative crystal characterization are needed to fill this measurement gap. Several …
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Characterizing neural tissues with mass spectrometry imaging via enhanced computational approaches
… in the brain. They are under tight spatial and chemical control and the dynamics of their release and catabolism directly modify neuronal network activity. Understanding neuropeptide functioning requires approaches to determine their chemical and spatial heterogeneity within neural tissue, but …
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New Methods for Measuring Spatial, Temporal and Chemical Distributions of Volatile Organic Compounds
Volatile organic compounds (VOCs) are those chemical species having sufficiently high vapor pressures to exist largely or entirely in the gaseous phase, whereas reactive organic carbon (ROC) encompasses all organics except methane. ROC can be emitted biogenically and anthropogenically, usually in a …
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After all, what do wasps want? The choice of sexual partner in the paper wasps Polistes
… of intersexual nestmate discimination by chemical cues in Polistes versicolor. The results suggest that mate choice is a widespread phenomena in Polistes; It is mediated by visual and chemical information; and fitness benefits associated with male individual quality and genetic …
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Multivariate Statistical Methods that Enable Fast Raman Spectroscopy
… as well as classifying and quantifying chemical species in a sample. Many materials of societal interest, such as proteins and pharmaceuticals, have distinctive Raman spectra with sharp features. However, the adoption of Raman spectra has been hindered by the low rate of Raman …
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Understanding the chemistry of atmospheric particles using single particle mass spectrometry
… techniques are explored in order to extract new chemical information from the thus obtained single particle mass spectra. Hardware improvements to PALMS are explored, such as the use of a high-powered femtosecond laser to obtain single particle mass spectra and a new high resolution compact mass …
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An investigation into dry and wet textile friction and lubrication in practical applications.
… was investigated as a means of providing direct chemical information from finished fibre surfaces. The composition and distribution of a two component finish applied to viscose fibres was determined successfully. When applying finish from a bath, the surface composition of the finished fibres was …
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Automated Parsing of Flexible Molecular Systems using Principal Component Analysis and K-Means Clustering Techniques
… in each molecular state for meaningful chemical information and subjecting the ensemble to costly quantum chemical calculations. The current status quo typically involves a manual process where the investigator must look at each conformation, separating each into structural families. …
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Cheminformatics for genome-scale metabolic reconstructions
… both a system and component level view of the biochemical transformations of metabolites. As more reconstructions have been created it remains a challenge to integrate and reason about their contents. This thesis focuses on the development of computational methods to allow on-demand comparison and …
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DNA origami substrates as a versatile tool for surface-enhanced Raman scattering (SERS)
… (SERS) is a promising tool to obtain rich chemical information about analytes at trace levels. However, in order to perform selective experiments on individual molecules, two fundamental requirements have to be fulfilled. On the one hand, areas with high local field enhancement, so-called …
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Creating a Map for Surgeons: Direct Blotting Assisted Stamping of Tissue for MALDI Imaging Mass Spectrometry
… of patterned surfaces able to obtain a chemical profile of tissue via direct contact imprinting. This can yield spatial chemical information about imprinted tissue histopathology without the need for embedding, sectioning, or storage. Multiple patterned surfaces have been explored, …
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s-Triazine-Based Self-Assembling Information Molecules
Abstract s-Triazine-Based Self-Assembling Information Molecules Nature stores biological information in form of a four-letter alphabet within the polymeric chain of DNA. Here, we have designed a series of triazine-based oligomers equipped with hydrogen bond acceptor (A) and donor (D) sites, which …
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Light Scattering Spectroscopy of Tissue Phantoms for Applications in Biomedical Sciences
Inelastic light scattering reveals information on an analyte through interactions of atoms or molecules with photons. Micro-mechanical properties of samples are probed with Brillouin microscopy, through interactions of light with acoustic phonons (sound waves), and their chemical information is …
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Assessing and developing methods to explore the role of molecular shape in computer-aided drug design
… describe the shape of molecules, discarding any chemical information, using numerical values. Focusing only on shape can lead to identifying novel core structures of molecules, with improved properties. Molecular fingerprints are binary bit strings that encode the structure or shape of compounds; …
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Dealing with challenges related to automated high-throughput hyperspectral imaging for assessment of tea products
… is the possibility to explore both spatial and chemical information present in samples. However, there are challenges associated with using HSI as an automated tool for high-throughput applications.This study involves the application of near-infrared (NIR) HSI and data analysis methodologies for …
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Application of attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy to measure sub-lethal effects of potential mutagens
… biomolecules and enable a correlation between chemical information and histological structures. Interrogation of biological samples using infrared (IR) techniques generates spectrum with wavenumber-absorbance intensities specific to biomolecules within the sample. Methods are relatively …
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