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Dissertations / Theses on the topic 'Vibrational Spectroscopy'

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1

Willetts, Andrew. "Theoretical vibrational spectroscopy." Thesis, University of Cambridge, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.358853.

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2

Bucher, Dominik. "Femtosecond vibrational spectroscopy." Diss., Ludwig-Maximilians-Universität München, 2015. http://nbn-resolving.de/urn:nbn:de:bvb:19-180061.

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3

Janni, James A. (James Alan) 1970. "Vibrational Kerr spectroscopy." Thesis, Massachusetts Institute of Technology, 1998. http://hdl.handle.net/1721.1/28203.

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Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1998.<br>Includes bibliographical references.<br>The infrared vibrational Kerr effect was investigated as a potentially selective and sensitive detection method for explosives. The investigation of the vibrational Kerr effect commenced with the first reported measurement of the integrated infrared vapor absorption strengths for the explosives trinitrotoluene, (TNT), cyclotrimethylene trinitramine (RDX), and pentaerythritrol tetranitrate (PETN). From the infrared absorption spectra, the characteristic N02 symmetric and a
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4

Pogson, Mark. "High pressure vibrational spectroscopy." Thesis, University of Leicester, 1987. http://hdl.handle.net/2381/33858.

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The study of solids at high pressure and variable temperature enables development of accurate interatomic potential functions over wide ranges of interatomic distances. A review of the main models used in the determination of these potentials is given in Chapter one. A discussion of phonon frequency as a variable physical parameter reflecting the interatomic potential is given. A high pressure Raman study of inorganic salts of the types MSCN, (M = K,Rb,Cs & NH4+) and MNO2, (M = K,Na) has been completed. The studies have revealed two new phases in KNO2 and one new phase in NaNO2 at high pressur
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5

Newnham, David A. "High vibrational overtone spectroscopy." Thesis, University of Reading, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.278081.

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6

Jackson, Kevin David Oliphant. "Vibrational spectroscopy of elastomers." Thesis, University of Southampton, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.239467.

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7

Nicol, Jaqueline Mary. "Vibrational spectroscopy of zeolite complexes." Thesis, Durham University, 1985. http://etheses.dur.ac.uk/6754/.

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Using infrared spectroscopy, studies of the interaction of small molecules {e.g. CO, C(_2)H(_2), CH(_3)CHO) with zeolites have been carried out. The work has resulted in the observation of both stable chemisorbed complexes and reacting species for which time-resolved measurements have been made. The isomerization of cyclopropane on ZnNa-A has been followed using time resolved spectroscopy. From the intensity of the v(C=C) stretch of the product, propene, the kinetics of the reaction have been followed and the reaction sites identified. The rate of isomerization was found to be very much faster
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8

Sabnis, Subodh Sushil. "Vibrational spectroscopy of amphiphilic biomaterials." Thesis, Sheffield Hallam University, 2009. http://shura.shu.ac.uk/20305/.

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The technique of ATR-FTIR has been used to study the rates of diffusion of water and two different protein solutions into hydrogels, in the form of thin films, synthesised "in-situ" onto the surface of an ATR crystal. The work involved making copolymers and crosslinked gels of glycerol monomethacrylate (GMMA), lauryl methacrylate (LMA) and ethylene glycol dimethacrylate (EGDMA).Bands characteristic of the individual monomers could not be identified once a stock solution was made up. The rates of reaction were determined from the integrated area of the broad band at 815 cm[-1], which was design
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9

Beck, Douglas R. "Theoretical investigations in vibrational spectroscopy /." Thesis, Connect to this title online; UW restricted, 1996. http://hdl.handle.net/1773/8675.

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10

Martens, Wayde Neil. "The vibrational spectroscopy of minerals." Thesis, Queensland University of Technology, 2004. https://eprints.qut.edu.au/15940/1/Wayde_Martens_Thesis.pdf.

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This thesis focuses on the vibrational spectroscopy of the aragonite and vivianite arsenate minerals (erythrite, annabergite and hörnesite), specifically the assignment of the spectra. The infrared and Raman spectra of cerussite have been assigned according to the vibrational symmetry species. The assignment of satellite bands to 18O isotopes has been discussed with respect to the use of these bands to the quantification of the isotopes. Overtone and combination bands have been assigned according to symmetry species and their corresponding fundamental vibrations. The vibra
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11

Martens, Wayde Neil. "The vibrational spectroscopy of minerals." Queensland University of Technology, 2004. http://eprints.qut.edu.au/15940/.

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This thesis focuses on the vibrational spectroscopy of the aragonite and vivianite arsenate minerals (erythrite, annabergite and hörnesite), specifically the assignment of the spectra. The infrared and Raman spectra of cerussite have been assigned according to the vibrational symmetry species. The assignment of satellite bands to 18O isotopes has been discussed with respect to the use of these bands to the quantification of the isotopes. Overtone and combination bands have been assigned according to symmetry species and their corresponding fundamental vibrations. The vibrational spectra
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12

Woods, Stephan M. "VIBRATIONAL SPECTROSCOPY AND SPECTROSCOPIC IMAGING OF BIOLOGICAL CELLS AND TISSUE." Kent State University / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=kent1322540287.

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13

Brewster, Victoria Louise. "Investigating protein modifications using vibrational spectroscopy and fluorescence spectroscopy." Thesis, University of Manchester, 2013. https://www.research.manchester.ac.uk/portal/en/theses/investigating-protein-modifications-using-vibrational-spectroscopy-and-fluorescence-spectroscopy(32ff24c8-326a-41cf-a076-11e067376525).html.

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Protein based biopharmaceuticals are becoming increasingly popular therapeutic agents. Recent changes to the legislation governing stem cell technologies will allow many further developments in this field. Characterisation of these therapeutic proteins poses numerous analytical challenges. In this work we address several of the key characterisation problems; detecting glycosylation, monitoring conformational changes, and identifying contamination, using vibrational spectroscopy. Raman and infrared spectroscopies are ideal techniques for the in situ monitoring of bioprocesses as they are non-de
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14

Greene, Phillip Robert. "Vibrational spectroscopy of thin organic films." Thesis, University of Oxford, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.400464.

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15

Ong, Toon-Hui. "Vibrational spectroscopy of molecules at interfaces." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.240827.

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16

Fletcher, Patrick Alan. "High pressure vibrational and EXAFS spectroscopy." Thesis, University of Leicester, 1987. http://hdl.handle.net/2381/33673.

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17

Coronado, Higuero Marcelo. "Biodiesel quality monitoring using vibrational spectroscopy." Diss., Kansas State University, 2012. http://hdl.handle.net/2097/13799.

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Doctor of Philosophy<br>Department of Biological and Agricultural Engineering<br>Wenqiao Yuan<br>Biodiesel production and utilization has been increasing rapidly worldwide in recent years. A main challenge in the commercialization and public acceptance of biodiesel is its quality control. This work reports the use of infrared spectroscopy to monitor biodiesel quality through the development of models to predict (1) the blending level of biodiesel in biodiesel-diesel mixtures, (2) the fatty acid profile of biodiesel fuels derived from various lipids, and (3) the concentration of most common imp
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18

DI, LIBERTO GIOVANNI. "NEW SEMICLASSICAL THEORIES FOR VIBRATIONAL SPECTROSCOPY." Doctoral thesis, Università degli Studi di Milano, 2019. http://hdl.handle.net/2434/612134.

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The main goal of this doctoral work was to develop theoretical advances of the semiclassical theory applied to molecular spectroscopy. In particular, the attention was centered at the coherent states based Time Averaging Semiclassical Initial Value Representation (TA-SCIVR) approximation to the vibrational spectral density. This approach is a solid way to access accurate vibrational spectra of molecular systems at a quantum approximate level. Nevertheless, it is affected by some criticalities as numerical issues and the so-called curse of dimensionality problem. Both represent an important stu
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19

Goodwin, James Royce. "Vibrational microspectroscopy of bacterial colonies." Thesis, Queensland University of Technology, 2006. https://eprints.qut.edu.au/16478/1/James_Goodwin_Thesis.pdf.

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Vibrational spectroscopy, mainly infrared spectroscopy, has been applied to bacteria, yeast and archaea cells for many years, for example, for the purpose of developing a rapid method of identification. More recently microcolonies have been used for consistency with the preparation and culture protocols of traditional microbiological methods. Heterogeneity of microcolonies has not been well studied. Investigation of heterogeneity may provide detailed biochemical information leading to an understanding of how colonies grow and the link to the growth cycle. Investigation of regions within bac
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20

Goodwin, James Royce. "Vibrational microspectroscopy of bacterial colonies." Queensland University of Technology, 2006. http://eprints.qut.edu.au/16478/.

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Vibrational spectroscopy, mainly infrared spectroscopy, has been applied to bacteria, yeast and archaea cells for many years, for example, for the purpose of developing a rapid method of identification. More recently microcolonies have been used for consistency with the preparation and culture protocols of traditional microbiological methods. Heterogeneity of microcolonies has not been well studied. Investigation of heterogeneity may provide detailed biochemical information leading to an understanding of how colonies grow and the link to the growth cycle. Investigation of regions within bac
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21

Żak, Emil J. "Theoretical rotational-vibrational and rotational-vibrational-electronic spectroscopy of triatomic molecules." Thesis, University College London (University of London), 2017. http://discovery.ucl.ac.uk/10026185/.

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The major part of this work is construction of 54 room-temperature infrared absorption line lists for isotopologues of carbon dioxide. In accurate nuclear motion calculations an exact nuclear kinetic energy operator is used in the Born-Oppenheimer approximation and three ab initio and semi-empirical potential energy surfaces for generation of rotational-vibrational wavefunctions and energy levels. Transition intensities are calculated with two different high quality ab initio dipole moment surfaces. The generated line lists are comprehensively compared to state-of-the-art measurements, spectro
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22

Barlow, Stephen J. "Spectroscopy in supercritical fluids." Thesis, University of Nottingham, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.247570.

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23

Botonjic, Edita. "Forensic and biological applications of vibrational spectroscopy /." View online ; access limited to URI, 2004. http://wwwlib.umi.com.helin.uri.edu/dissertations/dlnow/3160028.

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24

Emmons, Erick David. "Vibrational spectroscopy of polymers at high pressure." abstract (free order & download UNR users only), 2007. http://0-gateway.proquest.com.innopac.library.unr.edu/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3289451.

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25

Aquino, Alessandro Anthony. "Vibrational spectroscopy at adsorbate covered semiconductor surfaces." Thesis, Imperial College London, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.294968.

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26

Rodriguez, Jose. "Polarised vibrational spectroscopy on aligned amyloid fibrils." Thesis, University of Reading, 2011. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.542270.

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27

Coomber, Stuart David. "Vibrational spectroscopy of thin films and monolayers." Thesis, University of Nottingham, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.285641.

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28

Duffy, David Christopher. "Surface vibrational spectroscopy using sum-frequency generation." Thesis, University of Cambridge, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.311357.

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29

Tsikritsis, Dimitrios. "Vibrational spectroscopy and microscopy in colorectal cancer." Thesis, University of Edinburgh, 2018. http://hdl.handle.net/1842/33049.

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This project set out to examine the possibility that by acquiring Raman spectra and performing multi-photon imaging we can get better diagnosis and understanding of the biochemistry of an individual cancerous tumour and distinguish it from the healthy tissue. Within the frame of this study, colorectal primary and secondary cancer cells are examined with Raman spectroscopy in order to (i) study and distinguish them according to their chemical composition by applying multivariate methods and (ii) determine whether Raman spectroscopy can identify the cells which are the link between primary and s
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30

Pellow-Jarman, Martin Vincent. "Further developments in Fourier transform vibrational spectroscopy." Thesis, University of Southampton, 1994. https://eprints.soton.ac.uk/406870/.

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31

Tran, Willie. "VIBRATIONAL SPECTROSCOPY FOR CHALLENGING SAMPLES AND SITUATIONS." Miami University / OhioLINK, 2013. http://rave.ohiolink.edu/etdc/view?acc_num=miami1366383830.

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32

Old, Oliver. "Detection of Barrett's neoplasia with vibrational spectroscopy." Thesis, University of Exeter, 2015. http://hdl.handle.net/10871/20368.

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Early detection of Barrett’s oesophagus and associated neoplasia is key to preventing progression to oesophageal adenocarcinoma. Improving surveillance and introducing population screening for Barrett’s are major goals of current research: this project aimed to apply emerging techniques in vibrational spectroscopy to these problems. Fourier transform infrared (FTIR) mapping was used to develop an automated histology tool for detection of Barrett’s and Barrett’s neoplasia in tissue biopsies. 45 FTIR maps were measured from 22 tissue samples from 19 patients. Principal component analysis (PCA) f
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33

Panayiotou, Helen. "Vibrational spectroscopy of human hair keratin fibres." Thesis, Queensland University of Technology, 1998. https://eprints.qut.edu.au/36946/1/36946_Panayiotou_1998.pdf.

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This thesis is concerned with an investigation of human hair fibres, and is primarily directed towards forensic and cosmetic applications. Initially, a small study was conducted by the use of scanning electron microscopy in order to obtain a visual understanding of the human hair fibre. However, the main focus of the thesis is on the application of vibrational spectroscopy techniques for the investigation of single hair fibres (for forensic studies) or their bulk samples (for cosmetic studies). Previous research directed towards the forensic field, failed to discriminate human hair fibres wi
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34

Wong, Hing-wan. "Study of chemically modified food proteins by vibrational spectroscopy." View the Table of Contents & Abstract, 2006. http://sunzi.lib.hku.hk/hkuto/record/B36995939.

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35

Yang, Shilong 1975. "Theoretical study of single-molecule spectroscopy and vibrational spectroscopy in condensed phases." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/30237.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 2005.<br>Includes bibliographical references (p. 267-279).<br>In this thesis, theoretical models and computer simulations are employed to study several problems of single-molecule spectroscopy and vibrational spectroscopy in condensed phases. The first part of the thesis concentrates on studying dynamic disorders probed by single molecule fluorescence spectroscopy. Event statistics and correlations of single-molecule fluorescence sequences of modulated reactions are evaluated for multi-channel model, diffusion-controll
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36

Carter, Elizabeth Anne. "Vibrational spectroscopic studies of wool." Thesis, Queensland University of Technology, 1997.

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Fourier transfonn (FT) Raman, Raman microspectroscopy and Fourier transform infrared (FTIR) spectroscopy have been used for the structural analysis and characterisation of untreated and chemically treated wool fibres. For FT -Raman spectroscopy novel methods of sample presentation have been developed and optimised for the analysis of wool. No significant fluorescence was observed and the spectra could be obtained routinely. The stability of wool keratin to the laser source was investigated and the visual and spectroscopic signs of sample damage were established. Wool keratin was found to be
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37

Dosche, Carsten, Michael U. Kumke, F. Ariese, et al. "Shpol’skii spectroscopy and vibrational analysis of [N]phenylenes." Universität Potsdam, 2003. http://opus.kobv.de/ubp/volltexte/2007/1307/.

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Vibrationally resolved fluorescence spectra of four angular [N]phenylenes were recorded with laser excited Shpol’skii spectroscopy (LESS) in an n-octane matrix at 10 K. In general, the same vibrational frequencies were observed in the fluorescence excitation and emission spectra, indicating that the geometries of ground and electronically excited state are very similar. Because of intensity borrowing from the S2 state, vibrations of two different symmetries were observed in the fluorescence excitation spectra of angular [3]phenylene and zig-zag[5]phenylene. This finding allowed the location of
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38

Jiang, Zhimei. "Structural investigations of layered silicates by vibrational spectroscopy." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk2/ftp01/MQ31440.pdf.

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39

Wickramarachchi, P. A. S. R. "Vibrational spectroscopy of linear and branched long alkanes." Thesis, Sheffield Hallam University, 2006. http://shura.shu.ac.uk/20531/.

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In this work we studied monodisperse long chain alkanes as model compounds for semi crystalline polymers, using vibrational spectroscopy. The interest in vibrational spectroscopy is due to its sensitivity to both the crystalline structure and conformational disorder. We used the following vibrational techniques: Fourier transform infrared transmission, Fourier transform infrared - attenuated total reflection (FTIR-ATR), Raman spectroscopy and Inelastic neutron scattering (INS) spectroscopy. In addition, small angle X-ray scattering (SAXS) was used where necessary. In this study FTIR-ATR and IN
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40

Mozaffari-Medley, Mandana. "Colour matching of dyed wool by vibrational spectroscopy." Thesis, Queensland University of Technology, 2003. https://eprints.qut.edu.au/15867/1/Mandana_Mozaffari-Medley_Thesis.pdf.

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The matching of colours on dyed fabric is an important task in the textile industry. The current method is based on the matching the visible reflectance spectrum to standard spectral libraries. In this study, the amount of dye on various wool and wool-blend fabric was measured using vibrational-spectroscopic techniques. FT-IR PAS and FT-Raman spectroscopy was used to analyse the following set of samples: woollen fabrics (supplied by CSIRO- Geelong, Australia), dyed with Lanasol dyes (Red 6G, Blue 3G and Yellow 4G) and wool/polyester fabrics (supplied by Ceiba-Geigy, Switzerland), dyed with
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41

Mozaffari-Medley, Mandana. "Colour Matching of Dyed Wool by Vibrational Spectroscopy." Queensland University of Technology, 2003. http://eprints.qut.edu.au/15867/.

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The matching of colours on dyed fabric is an important task in the textile industry. The current method is based on the matching the visible reflectance spectrum to standard spectral libraries. In this study, the amount of dye on various wool and wool-blend fabric was measured using vibrational-spectroscopic techniques. FT-IR PAS and FT-Raman spectroscopy was used to analyse the following set of samples: woollen fabrics (supplied by CSIRO- Geelong, Australia), dyed with Lanasol dyes (Red 6G, Blue 3G and Yellow 4G) and wool/polyester fabrics (supplied by Ceiba-Geigy, Switzerland), dyed with
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42

Panayiotou, Helen. "Vibrational spectroscopy of keratin fibres : A forensic approach." Thesis, Queensland University of Technology, 2004. https://eprints.qut.edu.au/15953/7/Helen_Panayiotou_Thesis_ePrint-15953.pdf.

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Human hair profiling is an integral part of a forensic investigation but it is one of the most technically difficult subjects in forensic science. This thesis describes the research and development of a novel approach for the rapid identification of unknown human and other related keratin fibres found at a crime scene. The work presented here is developed systematically and considers sample collection, sample preparation, analysis and interpretation of spectral data for the profiling of hair fibres encountered in criminal cases. Spectral comparison of fibres was facilitated with the use of
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43

Panayiotou, Helen. "Vibrational spectroscopy of keratin fibres : A forensic approach." Queensland University of Technology, 2004. http://eprints.qut.edu.au/15953/.

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Human hair profiling is an integral part of a forensic investigation but it is one of the most technically difficult subjects in forensic science. This thesis describes the research and development of a novel approach for the rapid identification of unknown human and other related keratin fibres found at a crime scene. The work presented here is developed systematically and considers sample collection, sample preparation, analysis and interpretation of spectral data for the profiling of hair fibres encountered in criminal cases. Spectral comparison of fibres was facilitated with the use of
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44

Ali, H. R. H., Howell G. M. Edwards, John Kendrick, and Ian J. Scowen. "Vibrational spectroscopic study of fluticasone propionate." Elsevier, 2009. http://hdl.handle.net/10454/4724.

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No<br>Luticasone propionate is a synthetic glucocorticoid with potent anti-inflammatory activity that has been used effectively in the treatment of chronic asthma. The present work reports a vibrational spectroscopic study of fluticasone propionate and gives proposed molecular assignments on the basis of ab initio calculations using BLYP density functional theory with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation. Several spectral features and band intensities are explained. This study generated a library of information that can be employed to
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45

Ali, H. R. H., Howell G. M. Edwards, John Kendrick, and Ian J. Scowen. "Vibrational spectroscopic study of salbutamol hemisulphate." Elsevier, 2009. http://hdl.handle.net/10454/4738.

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no<br>Salbutamol hemisulphate is a relatively selective ß2-adrenergic agonist and is used as a bronchodilator. In this work, we present a detailed vibrational spectroscopic investigation of salbutamol hemisulphate using mid-infrared and near-infrared Fourier-transform (NIR-FT) Raman spectroscopies. These data are supported by quantum chemical calculations, which allow us to characterise the vibrational spectra of this compound reasonably. As such, this study could be viable for examining the way in which this drug interacts with its target molecules.
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46

Havey, Daniel Keith. "Vibrational spectroscopy of atmospherically relevant hydrogen bonded organic acids." Diss., Connect to online resource, 2005. http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:3207717.

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47

Jamme, Frédéric. "Vibrational spectroscopy of molecules on metal and semiconductor surfaces." Thesis, University of Nottingham, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.416410.

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48

Lovergne, Lila. "Rapid pre-symptomatic diagnosis of sepsis by vibrational spectroscopy." Thesis, University of Strathclyde, 2018. http://digitool.lib.strath.ac.uk:80/R/?func=dbin-jump-full&object_id=29441.

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Sepsis is a dysregulated host response to an infection that causes life-threatening organ dysfunction. Each year, over 30 million cases and 5 million deaths are estimated worldwide. Diagnosis of sepsis is based on non-specific clinical signs and time consuming positive identification of the causative pathogen(s). Rapid presymptomatic detection of sepsis would enable the early administration of therapeutics, maximising their effects, reducing mortality and healthcare costs. Vibrational spectroscopy can provide a “molecular fingerprint” of biological materials and presents many advantageous aspe
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49

Dierking, Christoph Wilhelm Hansjörn Ralf. "Photoionization and vibrational spectroscopy of sodium doped water clusters." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2019. http://hdl.handle.net/11858/00-1735-0000-002E-E608-3.

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50

Wei, Shijun. "Trace Analysis of Crystalline Silica Aerosol Using Vibrational Spectroscopy." University of Cincinnati / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1595849455064302.

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