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Chu Lut-Hey. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2004. / Includes bibliographical references (leaves 137-140). / Abstracts in English and Chinese. / Abstract --- p.II / Acknowledgement --- p.V / List of Tables --- p.IX / List of Figures --- p.X / List of Abbreviations --- p.XIII / Chapter 1 --- Introduction / Chapter 1.1 --- Objectives.l --- p.1 / Chapter 1.2 --- What is diabetes mellitus?. --- p.1 / Chapter 1.3 --- "Review of ""Technique for blood glucose measurement""" --- p.3 / Chapter 1.3.1 --- Conventional blood glucose meter --- p.4 / Chapter 1.3.2 --- Semi-invasive blood glucose meter --- p.5 / Chapter 1.3.3 --- Surfacelasmon resonance (SPR) method --- p.6 / Chapter 1.3.4 --- Non-invasive blood glucose meters --- p.7 / Chapter 1.4 --- Research directions --- p.8 / Chapter 1.5 --- Data analysis methods --- p.9 / Chapter 1.6 --- Organization of the thesis --- p.10 / Chapter 2 --- Spectral Data Analysis Methods / Chapter 2.1 --- What is spectral data? --- p.12 / Chapter 2.2 --- Nature of spectral data --- p.12 / Chapter 2.3 --- How to interpret the spectral data? --- p.15 / Chapter 2.3.1 --- Linear regression --- p.15 / Chapter 2.3.2 --- Multiple linear regression (MLR) --- p.17 / Chapter 2.3.2.1 --- Data reduction --- p.19 / Chapter 2.3.3 --- Bilinear modeling (BLM) --- p.21 / Chapter 2.3.3.1 --- artial least square regression (PLSR) --- p.23 / Chapter 2.3.3.2 --- Model reliability --- p.24 / Chapter 2.3.3.3 --- LS segmentation analysis --- p.25 / Chapter 2.4 --- Session discussion and conclusion --- p.27 / Chapter 3 --- Surfacelasmon Resonance (SPR) Experiments and Analysis / Chapter 3.1 --- Intrcduction --- p.29 / Chapter 3.2 --- Theory --- p.30 / Chapter 3.2.1 --- Maxwell's equations --- p.30 / Chapter 3.2.2 --- olarization of EM wave --- p.32 / Chapter 3.2.3 --- Boundary condition --- p.33 / Chapter 3.2.4 --- Total internal reflection --- p.37 / Chapter 3.2.5 --- hase shift of total internal reflection wave --- p.38 / Chapter 3.2.6 --- Kretschmannrism configuration --- p.38 / Chapter 3.2.7 --- Conditions affecting SPR --- p.41 / Chapter 3.3 --- Different SPR configuration systems --- p.44 / Chapter 3.3.1 --- rinciple of angular-based interrogation SPR setup --- p.44 / Chapter 3.3.2 --- rinciple of intensity-based interrogation SPR setup --- p.45 / Chapter 3.3.3 --- rinciple of wavelength-based interrogation SPR setup --- p.45 / Chapter 3.3.4 --- hase-based interrogation SPR setup --- p.47 / Chapter 3.3.4.1 --- Michelson Interferometer --- p.48 / Chapter 3.3.4.2 --- Thehase-based setup --- p.49 / Chapter 3.3.5 --- Comparison and discussion of different configurations --- p.51 / Chapter 3.4 --- SPR experiment adopts wavelengths-based interrogation setup --- p.54 / Chapter 3.4.1 --- The experiment setup --- p.54 / Chapter 3.4.1.1 --- Samplereparation --- p.58 / Chapter 3.4.1.2 --- Experiment Result using 928 nm and 1120 nm initial resonant wavelength --- p.58 / Chapter 3.4.2 --- Experimental data analysis --- p.60 / Chapter 3.4.2.1 --- Conventional SPR data analysis --- p.61 / Chapter 3.4.2.1.1 --- Data analysis using minimum hunting witholynomial fit --- p.62 / Chapter 3.4.3 --- LS regression analysis for SPR data --- p.67 / Chapter 3.5 --- Session discussion and conclusion --- p.71 / Chapter 4 --- Near-Infrared Spectroscopy Experiment and Analysis / Chapter 4.1 --- Overview of near-infrared spectroscopy --- p.74 / Chapter 4.1.1 --- Electromagnetic spectrum --- p.75 / Chapter 4.1.2 --- Molecules vibration --- p.76 / Chapter 4.1.3 --- Law of absorption: Lambert-Beer Law --- p.77 / Chapter 4.2 --- Near Infrared Spectrometer --- p.79 / Chapter 4.2.1 --- Dispersive NIR spectrometer --- p.79 / Chapter 4.2.2 --- Fourier-Transformed NIR spectrometer --- p.83 / Chapter 4.2.3 --- Comparison between dispersive NIR and FT-NIR spectrometers --- p.85 / Chapter 4.2.4 --- Self-established monochromator based spectrometer --- p.87 / Chapter 4.2.4.1 --- Choose of detector andhotonic signal conversion unit --- p.90 / Chapter 4.3 --- Experimental result of NIR-spectrum by self-established spectrometer --- p.95 / Chapter 4.3.1 --- New approach for improving RMSEP without normalization of water spectrum as background information --- p.105 / Chapter 4.4 --- Experimental results of NIR-spectrum by commercial spectrometers --- p.109 / Chapter 4.5 --- Instrumentation limitation of NIR spectrometer --- p.117 / Chapter 4.6 --- Session Discussion and conclusion --- p.119 / Chapter 5 --- Conclusions and Suggestions for the Future Work / Chapter 5.1 --- Research aim and contributions --- p.126 / Chapter 5.2 --- Discussion on experiments --- p.128 / Chapter 5.3 --- Future work --- p.131 / Chapter 5.4 --- Conclusion --- p.134 / Reference: --- p.136 / Appendixes: --- p.141 / Appendix A Different approaches for non-invasive glucose measurement --- p.142 / Appendix B Calibration model of the SPR experimental result with 1120 nm as initial resonance wavelength --- p.145 / Appendix C Matlabrogram written for data analysis and simulation --- p.146 / Appendix D Detail specification of the monochromator using in our laboratory --- p.150 / Appendix E Monochromator Controlrogram --- p.156 / Appendix F The throughput example copied from the handbook of ORIEL Instruments --- p.165 / Appendix G RMSEPlot of the data obtained by self-established spectrometer with and without datare-treatments --- p.166 / "Appendix H RMSEPlot of the raw data obtained from the three different commercial machines (Vector-22N/C, NIRSystem 6500 and NIRSystem XDS) with and without datare-treatment" --- p.176

In addition, two unknown vibronic bands have been observed in the 12150 cm-1 region and 12450 cm-1 region. From the observed linewidths, isotopic shift of the transition frequency and appearance of intricate spectral pattern, it is plausible that these bands may be due to C2 under the perturbation of a state inaccessible by dipole transition. Further analysis of these bands are underway. / The unprecedented sensitivity and resolution achieved by our spectrometer allows the measurement of the very weak Phillips band system (A 1piu - X1Sigmag +) of C2 in the plasma of methane and helium at a ratio of 1:170 generated under very mild ac hollow cathode discharge conditions. A total of eleven vibronic bands of the Phillips system have been observed in the region from 10300 cm-1 to 14250 cm-1 and analyzed based on the previous work. Combining the observed transition frequencies with those from Douay et al. [J. Mol. Spectrosc. 131, 250 (1988)], a set of spectroscopic constants for both the X1Sigma g+ and A1piu states have been obtained using least-squares fitting. Excellent agreement has been found between determined molecular constants and those found in the literature. The observation of the high upsilon levels in the 1piu state allows the determination of high order anharmonic constants oeze and oeae for the first time. / This thesis reports the construction of a custom-designed experimental setup for the high resolution near infrared spectroscopic studies of molecular ions and radicals generated in gaseous plasma. The home-built near infrared spectrometer system has a frequency resolution of 500 kHz and a frequency accuracy of ∼0.0010 cm-1 with a detection sensitivity of DeltaI/I of 10-6 using zero background concentration modulated phase sensitive detection scheme. An in-house program has been designed for data acquisition, frequency calibration and data processing and storage. / Yeung, Shun Hin. / Source: Dissertation Abstracts International, Volume: 72-04, Section: B, page: . / Thesis (Ph.D.)--Chinese University of Hong Kong, 2010. / Includes bibliographical references (leaves 129-134). / Electronic reproduction. Hong Kong : Chinese University of Hong Kong, [2012] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Electronic reproduction. Ann Arbor, MI : ProQuest Information and Learning Company, [200-] System requirements: Adobe Acrobat Reader. Available via World Wide Web. / Abstract also in Chinese.

Near-infrared (NIR) spectroscopy is a widely used technique in quantitative analytical applications. Near-infrared spectroscopy is commonly used in clinical, environmental and industrial applications because of its compatibility with aqueous samples and with relatively thick samples. However, NIR spectra typically contain weak and highly overlapped spectral features which require multivariate data analysis techniques (chemometrics) to yield meaningful and chemically relevant information. This dissertation consists of two main themes which include applications of NIR spectroscopy combined with chemometrics to (1) model temperatures in clinically relevant aqueous-based samples and (2) model temperature and moisture content in nylon-6,6 polymers. This research employed overtone and combination bands of C-H, O-H and N-H bonds situated in the 4000 - 5000 cm-1 region to develop partial least-squares (PLS) regression models to predict analyte properties such as temperature, concentration and moisture content. The research described in the first part of this dissertation includes the development of a spectral preprocessing strategy based on the standard variate transform (SNV) and discrete wavelet transform (DWT) to isolate the low-frequency baseline information which carries the spectral features due to temperature fluctuations in aqueous-based samples. This approach was used to develop calibration models to determine the temperature of aqueous-based samples directly from their NIR spectra. This is an important development due to the fact that extreme temperature sensitivity of the underlying water bands can lead to poor quantitative analyte prediction results. These temperature models were developed using pH 7.4 phosphate buffer solutions spanning the range of 20 to 40.5 °C. Following the temperature models, a temperature-correction strategy based on the systematic pattern of concentration residuals was successfully developed to improve quantitative analyte predictions in aqueous-based samples. These analyte prediction models included glucose solutions and glucose-lactate mixture solutions prepared in pH 7.4 phosphate buffer. The computed temperature models gave excellent long-term prediction results. The temperature correction strategy gave promising results with the glucose solutions as well as the glucose-lactate mixture solutions. The research presented in the second part of this dissertation includes the development of calibration models to determine the temperature and moisture content of a piece of nylon-6,6 polymer directly from its NIR spectrum combining SNV and DWT procedures followed by PLS regression. Both models gave good long-term prediction results and predicted well across different nylon-6,6 sheets. Computed moisture model provides a reliable and fast method to determine the moisture content of a nylon polymer when compared to existing techniques. Extended research towards polymer characterization including preliminary investigations of inhomogeneous nature of nylon polymers using infrared microscopy is documented in the latter part of this dissertation.

Three studies utilizing a single group of growing beef steers were conducted to ascertain the effects of tick stress on cattle and to evaluate the use of bio-forensic techniques of detection. Steers (n = 28, 194 ± 3.0 kg) were randomly assigned to one of four treatments in a 2 x 2 factorial arrangement: moderate (14.0 ± 1.0% CP, 60 ± 1.5% TDN) versus low (7.0 ± 1.0% CP, 58 ± 1.5% TDN) plane of nutrition, and control (no tick) versus tick treatment (300 pair of adult (Amblyomma americanum) per treated animal). Steers were individually fed experimental diets ad libitum for 35 days prior to and 21 days following the start of tick infestation (day 0), with peak tick feeding occurring 10 to 14 days post tick infestation. In study 1, blood was sampled on day -7, 0, 7, 8, 9, 10, 11, 13, 17 and 21, and plasma analyzed for metabolic and endocrine indicators. Within the low plane of nutrition, IGF-1 (ng/ml) was greater in control (P < 0.05) than in the tick treated (139.57 ± 9.3 vs 111.4 ± 9.3) group. Within the moderate plane of nutrition, tick treated cattle had higher (P < 0.05) plasma cortisol than nontreated. In study 2, fecal samples were analyzed for metabolic, endocrine and immunologic indicators. Fecal cortisol was the only constituent measured that was affected by treatment and not by plane of nutrition. The highest average daily fecal cortisol observed was for day 13, during peak tick feeding and after six days of repeated blood sampling. In study 3, near infrared spectra were obtained in the 1100-2498 nm range. Spectra were assembled into groups by plane of nutrition, treatment, and by plane of nutrition by treatment. Periods of 7 ± 1 days correspond to significant delineations in the tick feeding cycle. There were differences in pre-infestation versus infestation fecal spectra within the tick treated groups in both the moderate and low planes of nutrition. These differences can not be wholly attributed to tick treatment, but may have also been affected by blood sampling stress.

Neuroscientists have uncovered much about the dorsal and ventral visual object processing pathways. However, little is understood about the functional development of these pathways in human infants. Behavioral data has shown that as early as 2.5 months, infants are sensitive to spatiotemporal information for object individuation in occlusion events. This study used Near Infrared Spectroscopy to assess neural activation (as evidenced by an increase in HbO2) in four areas of the pathways: primary visual cortex (O1), posterior parietal cortex (P3), lateral occipital (T5), and inferior temporal (T3) in awake human infants aged 5.5 months while they view either a spatiotemporaldiscontinuity event or a control event. Three major predictions were made: 1) since the events contain visually distinct objects, there should be significant neural activation in O1 to both events, 2) if the dorsal route mediates the processing of spatiotemporal discontinuities, then there should also be a significant increase in P3 in response to the spatiotemporal-discontinuity event but not to the control event, and 3) activation present in T3 and T5 should not vary by condition if the ventral pathway is not responsible for the processing of spatiotemporal discontinuities. Results supported all three predictions.

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Human hair is a relatively inert biopolymer and can survive through natural disasters. It is also found as trace evidence at crime scenes. Previous studies by FTIRMicrospectroscopy and – Attenuated Total Reflectance (ATR) successfully showed that hairs can be matched and discriminated on the basis of gender, race and hair treatment, when interpreted by chemometrics. However, these spectroscopic techniques are difficult to operate at- or on-field. On the other hand, some near infrared spectroscopic (NIRS) instruments equipped with an optical probe, are portable and thus, facilitate the on- or at –field measurements for potential application directly at a crime or disaster scene. This thesis is focused on bulk hair samples, which are free of their roots, and thus, independent of potential DNA contribution for identification. It explores the building of a profile of an individual with the use of the NIRS technique on the basis of information on gender, race and treated hair, i.e. variables which can match and discriminate individuals. The complex spectra collected may be compared and interpreted with the use of chemometrics. These methods can then be used as protocol for further investigations. Water is a common substance present at forensic scenes e.g. at home in a bath, in the swimming pool; it is also common outdoors in the sea, river, dam, puddles and especially during DVI incidents at the seashore after a tsunami. For this reason, the matching and discrimination of bulk hair samples after the water immersion treatment was also explored. Through this research, it was found that Near Infrared Spectroscopy, with the use of an optical probe, has successfully matched and discriminated bulk hair samples to build a profile for the possible application to a crime or disaster scene. Through the interpretation of Chemometrics, such characteristics included Gender and Race. A novel approach was to measure the spectra not only in the usual NIR range (4000 – 7500 cm-1) but also in the Visible NIR (7500 – 12800 cm-1). This proved to be particularly useful in exploring the discrimination of differently coloured hair, e.g. naturally coloured, bleached or dyed. The NIR region is sensitive to molecular vibrations of the hair fibre structure as well as that of the dyes and damage from bleaching. But the Visible NIR region preferentially responds to the natural colourants, the melanin, which involves electronic transitions. This approach was shown to provide improved discrimination between dyed and untreated hair. This thesis is an extensive study of the application of NIRS with the aid of chemometrics, for matching and discrimination of bulk human scalp hair. The work not only indicates the strong potential of this technique in this field but also breaks new ground with the exploration of the use of the NIR and Visible NIR ranges for spectral sampling. It also develops methods for measuring spectra from hair which has been immersed in different water media (sea, river and dam)

Thesis (Ph.D.)--Drexel University, 2008. / Includes abstract and vita. Includes bibliographical references (leaves 60-65).