Thesis (Ph. D.)--University of Missouri-Columbia, 2000. / Typescript. Vita. Includes bibliographical references (leaves 132-137). Also available on the Internet.

The purpose of this study was to compare the exercise and recovery muscle oxygenation response of Women and Girls during two 30s Wingate anaerobic tests separated by two minutes of active cycling recovery (resistance ≈ 2.5% body weight, 60-80rpm). Oxygenated hemoglobin (HbO2), deoxygenated hemoglobin (HHb), total hemoglobin (tHb), and tissue saturation index (TSI) were monitored at the right vastus lateralis muscle using near infrared spectroscopy (NIRS) throughout exercise, recovery, and a post-exercise femoral artery occlusion to TSI plateau. Pressure was preset at 250mmHg for Women and 210mmHg for Girls, achieved by rapid inflation in 0.3 seconds, and maintained until a 2 minute TSI plateau occurred or 10 minutes had passed. Twenty Women (23.8[2.12] years) and 13 Girls (9[1] years, combined Tanner stage <4) completed all tasks excepting 1 girl who did not complete occlusion. Significant group, time, and group by time interaction effects were observed for peak and mean power (Watts.kgFFM-1). Women had significantly greater power output compared to Girls for both Wingates. While both groups had reduced power output in Wingate 2, the reduction was significantly greater in Women compared to Girls. No significant group differences were found for resting TSI, recovery TSI, minimum TSI during either Wingate test, or for minimum TSI during occlusion, however a time main effect for Women was observed with minimum TSI being significantly lower in Wingate 1 compared to Wingate 2. Girls had similar minimum TSI for both Wingate tests. Women also demonstrated a significantly greater difference between Wingate minimum TSI and occlusion minimum TSI in Wingate 2 compared to Wingate 1. During Wingate 1, HHb increase was greater in Girls compared to Women and remained elevated during recovery compared to women. Changes in HbO2, HHb, and tHb were reduced in Wingate 2 for both groups, more so in Women for tHb and in Girls for HHb. Recovery was not different between groups with the exception of a faster TSI time constant of recovery in Women (τ =20.25 [13.01]s) compared to Girls (τ =36.77 [13.38]s) which is attributed to a faster HHb time constant in Women (τ =13.6 [0.44]s) compared to Girls (τ =30.77[19.47]s). Both groups demonstrated similar power output results and TSI response across the two Wingate tests but Girls were better able to repeat the anaerobic performance with a consistent TSI minimum between the two tests despite a faster recovery of HHb and TSI in women. These findings, in the context of observed Hb variable differences between groups, provide evidence of greater oxidative metabolism in Girls during a high intensity exercise. / Graduate / December 18, 2016

To reduce the uncertainty associated with pesticide fate model predictions on the large scale, a rapid method is needed that can generate sorption coefficients (Kd values) with sufficient spatial detail. The feasibility of near-infrared spectroscopy (NIRS) to act as such a method was examined, using weak-acidic (2,4-D), weak-basic (atrazine) and zwitterion (glyphosate) herbicides and the natural steroid estrogen (17β-estradiol). A total of 609 horizons in 140 soil profiles were collected in agricultural fields near Brandon, Manitoba and near Saskatoon, Saskatchewan. In both agricultural fields, Kd values in horizons generally increased in the order of 2,4-D < atrazine < 17β-estradiol < glyphosate. Soil organic carbon content (SOC) followed by the soil pH were the major factors controlling the sorption of 2,4-D, atrazine and 17β-estradiol but glyphosate showed very strong sorption to soil particles regardless of measured SOC and soil pH values. For the chemicals studied, Kd values decreased from A to C horizons regardless of the segment of the slope from which the soil samples were collected, with the exception of glyphosate that showed relatively large Kd values in B-horizons illuviated with clay. Both the Zeiss Corona and the Foss 6500 spectrophotometers produced significantly strong predictive models for soil properties and Kd values of 2,4-D, atrazine and 17β-estradiol. However, models for glyphosate Kd values were weak or not significant. Using a test set approach and either soil spectral or soil properties data as independent variables, partial least squares regressions were successfully developed to estimate Kd values for use in the Pesticide Root Zone Model (PRZM) to calculate the herbicide mass leached. The study concluded that the added benefit of NIRS will be most useful if the pesticides under study have small sorption potentials and short half-lives in soil. Regional approaches to predicting Kd values from NIRS spectral data can also be developed if the calibration model is derived by combining a set of fields where each has a similar statistical population characteristic in Kd values. / February 2016

Thesis (MSc Food Sc)--Stellenbosch University, 2003. / ENGLISH ABSTRACT: Post-storage quality of the stone fruit, apricots and peaches, is the major factor determining their suitability for canning after cold storage in South Africa. Short harvesting periods and the limited capacity of the factory to process the large quantities of fruit within two days after delivery, necessitates cold storage until canning. Apricots develop internal breakdown, whereas peaches develop internal breakdown accompanied by loosening of the skin and adhesion of the flesh to the stone. The deterioration takes place within the fruit during a cold storage period of one to two weeks. The tendency of the fruit to develop internal defects can, to date, not be identified prior to storage and are only discovered after destoning during canning. Near infrared spectroscopy (NIRS) combined with chemometrics were investigated as a non-destructive method to predict post-storage quality in Bulida apricots and clingstone peach cultivars. Near infrared (NIR) spectra (645-1201 nm), measured on the intact fruit just after harvesting, were correlated with subjective quality evaluations performed on the cut and destoned fruit after cold storage. The cold storage periods for apricots were four weeks (2002 season) and three and two weeks for peach cultivars for the 2002 and 2003 seasons, respectively. Soft independent modelling by class analogy (SIMCA) and multivariate adaptive regression splines (MARS) were applied to the spectral and reference data to develop models for good and poor post-storage quality. The ability of these models to predict post-storage quality was evaluated in terms of recognition (sensitivity) and rejection (specificity) of the samples in independent validation sets. Total correct classification rates of 50.00% and 69.00% were obtained with Bulida apricots, using SIMCA and MARS, respectively. Classification results with apricots showed that MARS performed better than SIMCA and is thus recommended for this application. Total correct classification rates of 53.00% to 60.00% (SIMCA) and 57.65% to 65.12% (MARS) were obtained for data sets of combined peach cultivars within seasons and over both seasons. Additional aspects of fruit quality were investigated to identify possible indices of post-storage quality. Classification trees were used to find correlations between the post-storage quality and the fruit mass, diameter, firmness and soluble solids content (SSC). Among these, fruit diameter and firmness were the major indices of post-storage quality. Accurate predictions of firmness could not be achieved by near infrared spectroscopy (NlRS), making the combination of NIRS and classification trees not yet suitable for predicting post-storage quality. NIRS was further used to predict poststorage SSC within seasons in Bulida apricots and intact peach cultivars. This confirmed sufficient NIR light penetration into the intact fruit and also provided a further application of NIRS for ripeness evaluation in the canning industry. Validations on peach samples obtained correlation coefficients (r) of 0.77-0.85 and SEP-values of 1.35-1.60 °Brix using partial least squares (PLS) regression. MARS obtained r = 0.77-0.82 and SEP = 1.42-1.55 °Brix. Predictions of sse in apricots were less accurate, with r = 0.39-0.88, SEP = 1.24-2.21 °Brix (PLS) and r = 0.51-0.82, SEP = 1.54-2.19 °Brix (MARS). It is suggested that the accuracy of sse measurements, and the subsequent predictions, were affected by the cold storage periods as well as internal variation within the fruit. This study showed that a combination of NIRS and chemometrics can be used to predict post-storage quality in intact peaches and apricots. A small scale feasibility study showed that 4% (R117 720) (apricot industry) and 3% (R610 740) (peach industry) of production losses can be saved if this method is implemented in the South African canning industry. Although it was difficult to assign specific chemical components or quality attributes to the formulation of the storage potential models, important hidden information in the spectra could be revealed by chemometric classification methods. NIRS promises to be a useful and unique quality evaluation tool for the South African fruit canning industry. Several recommendations are made for the canning practices to reduce losses and for future research to improve the current prediction models. / AFRIKAANSE OPSOMMING: Die kwaliteit van die steenvrugte, appelkose en perskes, is die hoof bepalende faktor vir hul geskiktheid vir inmaakdoeleindes na koelopberging in Suid-Afrika. Die vrugte moet opgeberg word by lae temperature vir een tot twee weke, aangesien die oestydperk kort is en die kapasiteit van die fabriek te beperk is om die groot hoeveeheid vrugte dadelik in te maak. Tydens hierdie opbergingstydperk vind agteruitgang in die vrugte plaas. Dit word in appelkose gekenmerk deur interne verval en in perskes gekenmerk aan interne verval, tesame met enlos skil en die vaskleef van die vrugvlees aan die pit. Tot dusver, bestaan daar geen metode om hierdie tipe agteruitgang in vrugte voor opberging te identifiseer nie. Dit word eers na opberging opgemerk wanneer die vrugte ontpit word. Naby-infrarooi spektroskopie (NIRS), gekombineerd met chemometriese metodes is gebruik om opbergingspotensiaal in Bulida appelkose en taaipitperske kultivars te bepaal. enKorrelasie is gemaak tussen naby-infrarooi (NIR) spektra, gemeet op die heel vrugte voor opberging en subjektiewe evaluering van kwaliteit, geïdentifiseer op die gesnyde vrugte na opberging. Die opbergingstydperke vir perskes was vir drie en twee weke vir die 2002 en die 2003 seisoene, onderskeldeflk, terwyl die appelkose vir vier weke opgeberg is. Twee chemometriese metodes, "soft independent modelling by class analogy" (SIMCA) en "multivariate adaptive regression splines" (MARS) is gebruik om die spektra en ooreenstemmende subjektiewe data te kombineer en modelle is ontwikkel vir goeie en swak opbergingspotensiaal. Die vermoë van die modelle om die vrugkwaliteit na die opbergingstydperk te voorspel, is geêvalueer in terme van herkenning en verwerping van vrugtemonsters in onafhanklike toetsstelle. Totale korrekte klassifikasies van 50.00% and 69.00% is verkry vir Bulida appelkose, met SIMCA en MARS, onderskeidelik. Die klassifikasie resultate het gewys dat MARS beter gevaar het as SIMCA en word dus sterk aanbeveel vir hierdie toepassing. Totale korrekte klassifikasies van 53.00% tot 60.00% (SIMCA) and 57.65% tot 65.12% (MARS) is verkry vir gekombineerde perskekultivars tussen seisoene en oor seisoene. Verdere aspekte van vrugkwaliteit is geêvalueer om enmoontlike indeks van opbergingspotensiaal te verkry. Klassifikasiebome is gebruik om en korrelasie te vind tussen kwaliteit na opberging en vrugmassa, deursnee, fermheid en totale oplosbare vastestowwe (TOV). Diameter en fermheid het die meeste gekorreleer met die kwaliteit na opberging. Voorspellings van fermheid deur die gebruik van naby infrarooi spektroskopie (NIRS) was ~gter nie akkuraat nie. Dus word die kombinasie van klassifikasiebome en NIRS om opbergingspotensiaal te voorspel nie tans aanbeveel nie. NIRS is verder gebruik om TOV te voorspel binne seisoene in heel Bulida appelkose en perskekultivars. Dit is uitgevoer om voldoende NIR ligpenitrasie in die vrugte te bevestig en ook om 'n verdere toepassing van kwaliteitsbepaling (as indeks van soetheid en rypheid) vir die inmaakindustrie te verskaf. Validasies is op perskemonsters uitgevoer en korrelasiekoêffisiente (r) van 0.77-0.85 en voorspellingsfoute van 1.35-1.60 °Brix is verkry met "partial least squares" (PLS) regressie. MARS het r = 0.77-0.82 and voorspellingsfoute = 1.42-1.55 °Brix verkry. Die akkuraatheid van die TOV meetings en gevolglike voorspellings is waarskynlik beïnvloed deur interne variasie binne die vrugte sowel as die opbergings tydperke wat verloop het tussen metings. Hierdie studie wys dat NIRS en chemometriese metodes wel gebruik kan word om opbergingspotensiaal in heel perskes in appelkose te voorspel. 'n Kosteberekening het gewys dat besparings van 4% (R117 720) (appelkoos industrie) en 3% (R610 740) (perske industrie) moontlik is indien NIRS en MARS geïmplementeer word. Alhoewel dit moeilik was om spesifieke chemiese komponente en .sekere kwaliteitsaspekte aan die ontwikkeling van die modelle te koppel, is belangrike verborge informasie in die spectra uitgebring deur chemornetriese metodes. NIRS beloof om 'n bruikbare en unieke kwaliteitskontrole maatstaf te wees vir die Suid-Afrikaanse inmaakindustrie. Verskeie aanbevelings is gemaak vir die inmaakpraktyke om verliese te voorkom en ook vir toekomstige navorsing om die huidige klassifikasiemodelle te verbeter.

Thesis (MSc)--Stellenbosch University, 2015. / ENGLISH ABSTRACT: Grape quality is linked to the organoleptic properties of grapes, raisins and wine. Many advances have been made in understanding the grape components that are important in the quality of wines and other grape products. A better understanding of the compositional content of grapes entails knowing when and how the various components accumulate in the berry. Therefore, an appreciation of grape berry development is vitally important towards the understanding of how vineyard practices can be used to improve the quality of grapes and eventually, wines. The more established methods for grape berry quality assessment are based on gravimetric methods such as colorimetry, fluorescence and chromatography. These conventional methods are accurate at targeting particular components, but are typically multi-step, destructive, expensive, polluting procedures that might be technically challenging. Very often grape berries are evaluated for quality (only) at harvest. This remains a necessary exercise as it helps viticulturists and oenologists to estimate some targeted metabolite profiles that are known to greatly influence chemical and sensory profiles of wines. However, a more objective measurement of predicting grape berry quality would involve evaluation of the grapes throughout the entire development and maturation cycle right from the early fruit to the ripe fruit. To achieve this objective, the modern grape and wine industry needs rapid, reliable, simpler and cost effective methods to profile berry development. By the turn of the last millennium, developments in infrared instrumentation such as Fourier-transform infrared (FT NIR) and attenuated total reflectance Fourier-transform infrared spectroscopy (ATR FT-IR) in combination with chemometrics resulted in the development of rapid methods for evaluating the internal and external characteristics of fresh fruit, including grapes. The advancement and application of these rapid techniques to fingerprint grape compositional traits would be useful in monitoring grape berry quality. In this project an evaluation of grape berry development was investigated in a South African vineyard setting. To achieve this goal, Sauvignon blanc grape berry samples were collected and characterised at five defined stages of development: green, pre-véraison, véraison, post-véraison and ripe. Metabolically inactivated (frozen in liquid nitrogen and stored at -80oC) and fresh berries were analysed with FT-IR spectroscopy in the near infrared (NIR) and mid-infrared (MIR) ranges to provide spectral data. The spectral data were used to provide qualitative (developmental stage) and quantitative (metabolite concentration of key primary metabolites) information of the berries. High performance liquid chromatography (HPLC) was used to separate and quantify glucose, fructose, tartaric acid, malic acid and succinic acid which provided the reference data needed for quantitative analysis of the spectra. Unsupervised and supervised multivariate analyses were sequentially performed on various data blocks obtained by spectroscopy to construct qualitative and quantitative models that were used to characterise the berries. Successful treatment of data by principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) gave statistically significant chemometric models that discriminated the berries according to their stages of development. The loadings from MIR models highlighted the important discriminant variables responsible for the observed developmental stage classification. The best calibration models to predict metabolite concentrations were obtained from MIR spectra for glucose, fructose, tartaric acid and malic acid. The results showed that both NIR and MIR spectra in combination with multivariate analysis could be reliably used to evaluate Sauvignon blanc grape berry quality throughout the fruit’s development cycle. Moreover, the methods used were fast and required minimal sample processing and no metabolite extractions with organic solvent. In addition, the individual major sugar and organic acids were accurately predicted at the five stages under investigation. This study provides further proof that IR technologies are robust and suitable to explore high-throughput and in-field application of grape compound profiling. / AFRIKAANSE OPSOMMING: Druifkwaliteit word gekoppel aan die organoleptiese eienskappe van druiwe, rosyntjies en wyn. Baie vooruitgang is reeds gemaak in die begrip van druifkomponente wat belangrik is vir die kwaliteit van wyn en ander druifprodukte. ’n Beter begrip van die samestellende inhoud van druiwe behels om te weet wanneer en hoe die verskeie komponente in die korrel opgaar. ’n Evaluasie van druiwekorrel-ontwikkeling is dus uiters belangrik vir ’n begrip van hoe wingerdpraktyke gebruik kan word om die kwaliteit van druiwe, en uiteindelik van wyne, te verbeter. Die meer gevestigde maniere vir die assessering van druiwekorrelkwaliteit is gebaseer op gravimetriese metodes soos kolorimetrie, fluoressensie en chromatografie. Hierdie konvensionele metodes is akkuraat om spesifieke komponente te teiken, maar behels tipies veelvuldige stappe en is prosesse wat destruktief en duur is, besoedeling veroorsaak, asook moontlik tegnies uitdagend is. In baie gevalle word druiwekorrels (eers) tydens oes vir kwaliteit geëvalueer. Hierdie is steeds ’n noodsaaklike oefening omdat dit wingerdkundiges en wynkundiges help om die metabolietprofiele wat daarvoor bekend is om ’n groot invloed op die chemiese en sensoriese profiele van wyn te hê en dus geteiken word, te skat. ’n Meer objektiewe meting om druiwekorrelkwaliteit te voorspel, sou die evaluering van die druiwe dwarsdeur hulle ontwikkeling- en rypwordingsiklus behels, vanaf die vroeë vrugte tot die ryp vrugte. Om hierdie doelwit te behaal, benodig die moderne druiwe- en wynbedryf vinnige, betroubare, eenvoudiger en kostedoeltreffende metodes om ’n profiel saam te stel van korrelontwikkeling. Aan die einde van die vorige millennium het ontwikkelings in infrarooi instrumentering soos Fourier-transform infrarooi (FT NIR) en attenuated total reflectance Fourier-transform infrarooi spektroskopie (ATR FT-IR) in kombinasie met chemometrika gelei tot die ontwikkeling van vinnige metodes om die interne en eksterne kenmerke van vars vrugte, insluitend druiwe, te meet. Die vooruitgang en toepassing van hierdie vinnige tegnieke om ‘vingerafdrukke’ te bekom van die samestellende kenmerke sal nuttig wees vir die verbetering van druiwekorrelkwaliteit. In hierdie projek is ’n evaluering van druiwekorrelontwikkeling in ’n Suid-Afrikaanse wingerdligging ondersoek. Ten einde hierdie doel te bereik, is Sauvignon blanc druiwekorrelmonsters op vyf gedefinieerde stadiums van ontwikkeling versamel en gekarakteriseer: groen, voor deurslaan, deurslaan, ná deurslaan en ryp. Metabolies geïnaktiveerde (bevrore in vloeibare stikstof en gestoor teen -80oC) en vars korrels is met FT-IR spektroskopie in die naby infrarooi (NIR) and mid-infrarooi (MIR) grense geanaliseer om spektrale data te verskaf. Die spektrale data is gebruik om kwalitatiewe (ontwikkelingstadium) en kwantitatiewe (metabolietkonsentrasie van belangrikste primêre metaboliete) inligting van die korrels te verskaf. High performance liquid chromatography (HPLC) is gebruik om glukose, fruktose, wynsteensuur, appelsuur en suksiensuur te skei en te kwantifiseer, wat die verwysingsdata verskaf het wat vir die kwantitatiewe analise van die spektra benodig word. Ongekontroleerde en gekontroleerde meervariantanalises is opeenvolgend op verskeie datablokke uitgevoer wat met spektroskopie verkry is om kwalitatiewe en kwantitatiewe modelle te verkry wat gebruik is om die korrels te karakteriseer. Suksesvolle behandeling van die data deur hoofkomponent analise (principal component analysis (PCA)) en ortogonale parsiële kleinstekwadraat diskriminant analise (partial least squares discriminant analysis (OPLS-DA)) het statisties betekenisvolle chemometriese modelle verskaf wat die korrels op grond van hulle ontwikkelingstadia onderskei het. Die ladings vanaf die MIR-modelle het die belangrike diskriminantveranderlikes beklemtoon wat vir die klassifikasie van die waargenome ontwikkelingstadium verantwoordelik is. Die beste kalibrasiemodelle om metabolietkonsentrasies te verkry, is vanuit die MIR-spektra vir glukose, fruktose, wynsteensuur en appelsuur bekom. Die resultate toon dat beide die NIR- en MIR-spektra, in kombinasie met meervariantanalise, betroubaar gebruik kan word om Sauvignon blanc druiwekorrelkwaliteit dwarsdeur die vrug se ontwikkelingsiklus te evalueer. Verder is die metodes wat gebruik word, vinnig en het hulle minimale monsterprosessering en geen metabolietekstraksies met organiese oplosmiddel benodig nie. Daarbenewens is die vernaamste suiker en organiese sure individueel akkuraat voorspel op die vyf stadia wat ondersoek is. Hierdie studie verskaf verdere bewys dat IR-tegnologieë robuus en geskik is om hoë-deurset en in-veld toepassings van profielsamestelling van druiweverbindings te ondersoek.

abstract: Chemical and mineralogical data from Mars shows that the surface has been chemically weathered on local to regional scales. Chemical trends and the types of chemical weathering products present on the surface and their abundances can elucidate information about past aqueous processes. Thermal-infrared (TIR) data and their respective models are essential for interpreting Martian mineralogy and geologic history. However, previous studies have shown that chemical weathering and the precipitation of fine-grained secondary silicates can adversely affect the accuracy of TIR spectral models. Furthermore, spectral libraries used to identify minerals on the Martian surface lack some important weathering products, including poorly-crystalline aluminosilicates like allophane, thus eliminating their identification in TIR spectral models. It is essential to accurately interpret TIR spectral data from chemically weathered surfaces to understand the evolution of aqueous processes on Mars. Laboratory experiments were performed to improve interpretations of TIR data from weathered surfaces. To test the accuracy of deriving chemistry of weathered rocks from TIR spectroscopy, chemistry was derived from TIR models of weathered basalts from Baynton, Australia and compared to actual weathering rind chemistry. To determine how specific secondary silicates affect the TIR spectroscopy of weathered basalts, mixtures of basaltic minerals and small amounts of secondary silicates were modeled. Poorly-crystalline aluminosilicates were synthesized and their TIR spectra were added to spectral libraries. Regional Thermal Emission Spectrometer (TES) data were modeled using libraries containing these poorly-crystalline aluminosilicates to test for their presence on the Mars. Chemistry derived from models of weathered Baynton basalts is not accurate, but broad chemical weathering trends can be interpreted from the data. TIR models of mineral mixtures show that small amounts of crystalline and amorphous silicate weathering products (2.5-5 wt.%) can be detected in TIR models and can adversely affect modeled plagioclase abundances. Poorly-crystalline aluminosilicates are identified in Northern Acidalia, Solis Planum, and Meridiani. Previous studies have suggested that acid sulfate weathering was the dominant surface alteration process for the past 3.5 billion years; however, the identification of allophane indicates that alteration at near-neutral pH occurred on regional scales and that acid sulfate weathering is not the only weathering process on Mars. / Dissertation/Thesis / Ph.D. Geological Sciences 2011

This master’s thesis studies the effect of weathering on thermally modified Norway spruce (Picea abies) and Scots pine (Pinus sylvestris) with different surface treatments. Most importantly colour changes were analysed, especially, the greying. However, other aspects of appearance changes, like cracks, mould and chemical changes on the surface were included. Special emphasis was on analysing the influence of tree species, type of thermal modification and surface treatment on these properties. Furthermore, it was tested if near infra-red (NIR) spectroscopy allows to estimate the colour, in addition, to measuring chemical changes. The whole study was set up as a decking of a gangway in Northern Sweden and evaluated after the first year of exposure. With the help of colorimetry, changes in colour based on the CIE L*C*hab colour space were measured. Test results showed that within one year all surfaces turned greyer significantly due to changes in content of lignin and cellulose measured with NIR spectroscopy. Differences could neither be observed between the uses of the two tree species nor between the uses of the thermal modifications, pressurised saturated steam at a temperature of 180 °C and superheated steam at a temperature of 212 °C. However, the surface treatment affects the colour change. Timber treated with a silicon based treatment had from the beginning a greyer colour and turned greyest after one year, while oil and pigmented oil stain slowed down the greying compared to untreated and iron vitriol treated timber. After one year of exposure for none of the treatments the colour had stabilised. Qualitative analysis of cracks and mould growth on the surface indicated some dependence on thermal modification and surface treatment. The PLS model for the prediction was not good, so no universally valid conclusions could be drawn of them. Timber with silicon based treatment showed a tendency for mould growth and timber thermally modified with pressurised saturated steam at a temperature of 180 °C tends to have cracks more often. It was possible to estimate the colour from NIR spectroscopy. Best estimations were achieved for the Chroma, followed by lightness and hue. Even better prediction of the Chroma could be achieved by fitting different models based on the surface treatments.  Hence, NIR spectroscopy allows a good estimation of the greying without needing a further measurement instrument, like a colorimeter.

Master of Science / Department of Chemical Engineering / John R. Schlup / The cross-linking reaction of the polyimide Matrimid 5218 with ethylenediamine (EDA) in methanol was investigated using Fourier transform infrared (FTIR) spectroscopy. Peaks associated with breaking imide bonds and the formation of amide bonds were identified. Using an internal standard peak of 1014 cm⁻¹ allowed for quantitative analysis to be applied. The peak areas, calculated by slice area, were used for absorbance ratio analysis to follow the cross-linking reaction as a function of time. Lastly, the absorbance values for the decreasing peak 1718 cm⁻¹ were used to calculate the order of reaction for the reaction rate of the mechanism.

As intervenções com neurofeedback têm tido grande difusão na área como uma alternativa possível para tratamento do Transtorno de Déficit de Atenção/Hiperatividade (TDAH). Este estudo tem o objetivo de avaliar a viabilidade da utilização de um sistema de neurofeedback de baixo custo chamado Near Infrared Spectroscopy/Hemoencephalography Neurofeedback (NIR/HEG-NF) para tratar crianças com TDAH. Método: trata-se de um estudo clínico piloto aberto, que incluiu 5 crianças (3 meninos e 2 meninas - idade 10,4 ± 0,89 anos) com TDAH-C (tipo combinado). Os indivíduos completaram um programa de 24 sessões de NIR/HEG-NF, duas ou três vezes por semana. Os seguintes desfechos foram avaliados pré e pós-tratamento: 1) sintomas de desatenção e hiperatividade; 2) desempenho neuropsicológico; 3) imagens de SPECT cerebral; 4) qualidade de vida; e 5) efeitos adversos. Resultados: houve maior resistência do que o esperado para a participação dos indivíduos devido a vários fatores, tais como logísticos para a participação nas sessões e requerimento de não uso de medicação durante o protocolo. Detectamos uma diferença significativa na comparação pré e pós-intervenção nos escores atribuídos pelos pais na dimensão de hiperatividade e impulsividade do Swanson, Nolan and Pelham Questionnaire (SNAP-IV) (p = .042; tamanho de efeito [ES] =.38) e uma tendência de melhora nos escores atribuídos pelos pais e professores na dimensão desatenção (p = .066; ES = .47 / p = .068; ES = .60) naquelas crianças que finalizaram o tratamento. Detectamos uma tendência de aumento perfusional em diferentes partes do córtex cerebral em três indivíduos. As comparações pré e pós-intervenção nas outras medidas não indicaram diferenças estatisticamente significativas. Não foram relatados efeitos adversos significativos. Discussão: Os achados iniciais sugerem que o NIR/HEG-NF como tratamento para sintomas de TDAH pode ser promissor e deve ser melhor investigado. O protocolo lança luz sobre novas abordagens para avaliar a eficácia da intervenção. Pode-se, por exemplo, implementar o programa de intervenção no ambiente escolar e com uso concomitante de medicamentos para superar as resistências na alocação de pacientes e para uma avaliação com maior validade externa. / Background and objectives: Neurofeedback interventions have been quick and extensively introduced for clinicians to treat Attention-Deficit/Hyperactivity Disorder (ADHD). This study aims to assess the feasibility of using a low cost neurofeedback system called Near Infrared Spectroscopy/ Hemoencephalography Neurofeedback (NIR/HEG-NF) for treating children with ADHD. Method: This open pilot clinical study included 5 children (3 boys and 2 girls - age 10.4 ± 0.89 years) with ADHD-C (combined type). The subjects completed a program of 24 sessions of NIR/HEG-NF, two or three times a week. The following outcomes were assessed pre and post-treatment: 1) clinical symptoms of inattention and hyperactivity; 2) neuropsychological performance; 3) brain SPECT images; 4) quality of life and; 5) adverse effects. Results: Higher resistance than expected was experienced for patient allocation due to logistic reasons to attend the sessions in the hospital and the requirement of not using medication during the protocol. We detected a significant decrease in hyperactivity/impulsivity comparing pre and post-intervention scores in the parent’s Swanson, Nolan and Pelham Questionnaire - SNAP-IV (p = .042; Effect Size [ES] r = .38) and a trend of improvement in scores attributed by parents and teachers in inattention (p = .066; r = .47 / p = .068; r = .68) . We detected a trend for increased perfusion in different parts of the entire cortex in 3 subjects. Comparisons between pre and post-intervention scores in other measures did not suggest meaningful differences. No significant adverse effects were reported. Discussion: Our initial findings suggest that NIR/HEG-NF technique might be promising and should be further investigated. The protocol shed light on new approaches to assess the effectiveness of the intervention such as the need to both implement the intervention program in a school environment and to pursue the investigation of the treatment effects with concomitant use of medications to surpass resistances to enroll patients and to have an assessment with more external validity.

SILVA, Eder Nascimento. Propriedades Vibracionais de Perovskitas Complexas Ordenadas. 2008. 181 f. Tese (Doutorado em Física) - Programa de Pós-Graduação em Física, Departamento de Física, Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2008. / Submitted by Edvander Pires (edvanderpires@gmail.com) on 2015-05-04T19:23:25Z No. of bitstreams: 1 2008_tese_ensilva.pdf: 7886254 bytes, checksum: baaeb81edf0f9b9bff1c7ee1c5ae7c79 (MD5) / Approved for entry into archive by Edvander Pires(edvanderpires@gmail.com) on 2015-05-07T16:52:15Z (GMT) No. of bitstreams: 1 2008_tese_ensilva.pdf: 7886254 bytes, checksum: baaeb81edf0f9b9bff1c7ee1c5ae7c79 (MD5) / Made available in DSpace on 2015-05-07T16:52:15Z (GMT). No. of bitstreams: 1 2008_tese_ensilva.pdf: 7886254 bytes, checksum: baaeb81edf0f9b9bff1c7ee1c5ae7c79 (MD5) Previous issue date: 2008 / The A2B0B00O6 double perovskites can crystallize in at least 12 different space groups, where the B0O6 and B00O6 octahedra (1:1 order) alternate along the three crystallographic axis. Four perovskites with this order are studied in this work, to know: Sr2CoWO6 (I4/m), Ca2CoWO6, Ca2CoTeO6 and Sr2CoTeO6 (P21/n). In many cases, total or partial disorder due to the random distribution of the B0 and B00 cations in the B sites of the ABO3 perovskites can be observed. An example of compound with total disorder is Pb(Fe1/2Nb1/2)O3 (Cm), where the Fe3+ and Nb5+ cations possess an occupation factor 1/2 in the octahedral sites of the perovskite structure. The compounds: (i) Ba2In(In1/3U2/3)O6, Ba2In(In1/3W2/3)O6 (Fm¯ 3m), Sr2In(In1/3U2/3)O6, Sr2(In0,87W0,13)(In0,46W0,54)O6 (P21/n) and (ii) a2(Fe0,73W0,27)(Fe0,60W0,40)O6 (P21/n) and Sr2(Fe0,79W0,21)(Fe0,54W0,46)O6, Sr2(Fe0.90Te0.10)(Fe0.57Te0.43)O6 (I4/m) possess partial disorder in the sites of the B0 and/or B00 cations, but nevertheless they exhibit 1: 1 order. In the present work, the phonon spectra of the above-mentioned perovskites are studied through the Raman scattering and infrared transmittance and/or diffuse reflectance. To analyze the phonon spectra of these compounds, theory group methods are used based on three ion sub-lattices, to know: A, B0 and B00O6. The vibrational freedom degrees of the 12 ordered perovskites are described in terms of the internal vibrations of the B00O6 octahedron and of the translational modes of the A and B0 cations. This model is valid when the vibrations of the B0O6 octahedron are negligible compared with the one of the B00O6 octahedron. We used crystallographic information to discuss the processes behind the changes in the phonon energies based on the internal modes of the octahedra. Besides, our results of Raman scattering of low temperature in Pb(Fe1/2Nb1/2)O3 ceramic, reveal pronounced anomalies in the phonon spectra around N´eel temperature TN∼150 K. We attributed these anomalies to the magnetoelectric effect in this compound.