Cette thèse porte sur l’étude de la radio-sensibilité de Molécules AromatiquesHétérocycliques (MAH) à basse température exposées à une irradiation avec des ionslourds rapides. La présence de ces molécules dans les météorites carbonées sur Terre estune forte indication pour l’existence de cette catégorie de molécules dans l’espace.L’objectif de ce travail est de simuler l’effet des rayons cosmiques sur des MAH enphase solide et d’estimer leur résistance à l’irradiation. Les lignes de faisceaux deGANIL et de GSI permettent de simuler cet effet. L’évolution des MAH en phase solidea été monitorée par spectroscopie infrarouge à transformée de Fourier. Cela permet dequantifier la destruction des MAH, de déterminer leur section efficace de destruction etde détecter les molécules produites. Les sections efficaces de destruction de l’adénine etde la cytosine suivent une loi puissance en fonction du pouvoir d’arrêt électronique :σd~ Se1.2. Les nouvelles bandes d’absorption observées après l’irradiation des MAH sontprincipalement attribuées à des nitriles (R-C≡N), des isonitriles (R-N≡C) et (R-C≡C).L’évolution de la section efficace en fonction du pouvoir d’arrêt électronique a permisd’estimer la durée de vie de l’adénine dans l’espace : (14×106) années. Ces résultatspermettront de comprendre la stabilité et la chimie de ces molécules complexes dansl’espace. / The thesis concerns the study of the radio sensitivity of aromatic heterocyclic molecules(AHMs) at low temperature (12 K) exposed to swift heavy ion radiation. The presenceof aromatic heterocyclic molecules in carbonaceous meteorites on Earth is a strongindication that this class of molecules exists in outer space.The aim of this work was to study the effects of cosmic ray analogues on solid AHMsand to estimate their survival under radiation. The beam lines of GANIL and GSI allowto simulate the effects of cosmic rays in AHMs. The evolution of the solid AHMs underirradiation was monitored by Fourier transformed infrared absorption spectroscopy; thisallows to quantify the disappearance of AHMs, to determine their apparent destructioncross section and to detect their radioproducts. Furthermore, it was found that adenineand cytosine destruction cross sections (σd) follow a power law with the electronicenergy loss: σd~ Se1.2 .New IR absorption peaks arising from the AHMs degradationswere observed; these peaks can be attributed to nitriles (R-C≡N), isonitriles (R-N≡C),and (R-C≡C).The observed power law allowed the estimation of the lifetime of adeninein space exposed to galactic cosmic rays as (14×106) years. These findings may help tounderstand the stability and chemistry related to complex organic molecules in space.

Classical Molecular Dynamics simulation (MD) models the interactions of thousands to millions of particles through the iterative application of basic Physics. MD is one of the core methods in High Performance Computing (HPC). While MD is critical to many high-profile applications, e.g. drug discovery and design, it suffers from the strong scaling problem, that is, while large computer systems can efficiently model large ensembles of particles, it is extremely challenging for {\it any} computer system to increase the timescale, even for small ensembles. This strong scaling problem can be mitigated with low-latency, direct communication. Of all Commercial Off the Shelf (COTS) Integrated Circuits (ICs), Field Programmable Gate Arrays (FPGAs) are the computational component uniquely applicable here: they have unmatched parallel communication capability both within the chip and externally to couple clusters of FPGAs. This thesis focuses on the acceleration of the long range (LR) force, the part of MD most difficult to scale, by using FPGAs. This thesis first optimizes LR acceleration on a single-FPGA to eliminate the amount of on-chip communication required to complete a single LR computation iteration while maintaining as much parallelism as possible. This is achieved by designing around application specific memory architectures. Doing so introduces data movement issues overcome by pipelined, toroidal-shift multiplexing (MUXing) and pipelined staggering of memory access subsets. This design is then evaluated comprehensively and comparatively, deriving equations for performance and resource consumption and drawing metrics from previously developed LR hardware designs. Using this single-FPGA LR architecture as a base, FPGA network strategies to compute the LR portion of larger sized MD problems are then theorized and analyzed.

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Invariant object recognition is maybe the most basic and fundamental property of our visual system. It is the basis of many other cognitive tasks, like motor actions and social interactions. Hence, the theoretical understanding and modeling of invariant object recognition is one of the central problems in computational neuroscience. Indeed, object recognition consists of two different tasks: classification and identification. The focus of this thesis is on object identification under the basic geometrical transformations shift, scaling, and rotation. The visual system can perform shift, size, and rotation invariant object identification. This thesis consists of two parts. In the first part, we present and investigate the VisNet model proposed by Rolls. The generalization problems of VisNet triggered our development of a new neural network model for invariant object identification. Starting point for an improved generalization behavior is the search for an operation that extracts images features that are invariant under shifts, rotations, and scalings. Extracting invariant features guarantees that an object seen once in a specific pose can be identified in any pose. We present and investigate our model in the second part of this thesis.

Thesis (M.Sc. (Chemistry)) -- University of Limpopo, 2022 / Calcium and magnesium are two dominant species that contribute to water hardness. The aim of this study was to develop a poly (vinylidene fluoride-co hexafluoropropylene) (PVDF-HFP) composite membrane for treatment of water hardness. The synthesis of PVDF-HFP composite membranes was confirmed by X ray diffraction (XRD), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and Fourier transform infrared (FTIR) spectroscopy. The concentrations of the hardness causing agents in both the simulated and real hard water samples were investigated in batch studies wherein parameters such as pH, contact time, temperature, and adsorbent were optimised. The maximum adsorption efficiency of 56 and 45 mg/g (evaluated by Langmuir isotherm) for Ca(II) and Mg(II) ions were obtained. These were achieved at an optimum pH of 7 and adsorption dosage of 0.5 mg/L using the 3% PVDF-HFP/cellulose acetate (CA) and 1% nitrogen doped multiwalled carbon nanotubes (N-MWCNTs)/CA composite membranes respectively. The adsorption kinetics and isotherm models were all consistent with the pseudo-second order and Freundlich isotherm models for all the membranes suggesting that the sorption process met heterogeneous adsorption. Furthermore, the thermodynamic parameters indicated that the adsorption is physical and endothermic in nature. Reusability studies showed that all the PVDF-HFP based membranes can be recycled at least 3 times and for Ca(II) ions an adsorption loss of only 0.35 % was recorded while using a 3% PVDF-HFP/CA composite membrane. These results were further confirmed by XRD, TGA and inductively coupled plasma mass (ICP-MS) spectrometry. Thus, the findings from this study have shown that the PVDF-HFP based membranes could provide valuable material for hardness removal to acceptable level.

Contamination of peanuts by secondary metabolites of certain fungi, namely aflatoxins present a great health hazard when exposed either at low levels for prolonged times (carcinogenic) or at high levels at once (poisonous). It is important to develop an accurate and rapid measurement technique to trace the aflatoxin and/or source fungi presence in peanuts. Thus, current research focused on development of vibrational spectroscopy based methods for detection and separation of contaminated peanut samples. Aflatoxin incidence, as a chemical contaminant in peanut paste samples, was investigated, in terms of spectral characteristics using FTIR-ATR. The effects of spectral pre-processing steps such as mean-centering, smoothing the 1st derivative and normalizing were studied. Logarithmic method was the best normalization technique describing the exponentially distributed spectral data. Spectral windows giving the best correlation with respect to increasing aflatoxin amount led to selection of fat associated spectral bands. Using the multivariate analysis tools, structural contributions of aflatoxins in peanut matrix were detected. The best region was decided as 3028-2752, 1800-1707, 1584-1424, and 1408-1127 cm-1 giving correlation coefficient for calibration (R2C), root mean square error for calibration (RMSEC) and root mean square error for prediction (RMSEP) of 98.6%, 7.66ppb and 19.5ppb, respectively. Applying the constructed partial least squares model, 95% of the samples were correctly classified while the percentage of false negative and false positive identifications were 16% and 0%, respectively. Aspergillus species of section Flavi and the black fungi, A. niger are the most common colonists of peanuts in nature and the majority of the aflatoxin producing strains are from section Flavi. Seed colonization by selected Aspergillus spp. was investigated by following the chemical alterations as a function of fungal growth by means of spectral readouts. FTIR-ATR was utilized to correlate spectral characteristics to mold density, and to separate Aspergillus at section, species and strain levels, threshold mold density values were established. Even far before the organoleptic quality changes became visually observable (~10,000 mold counts), FTIR distinguished the species of same section. Besides, the analogous secondary metabolites produced increased the similarity within the spectra even their spectral contributions were mostly masked by bulk peanut medium; and led to grouping of species producing the same mycotoxins together. Aflatoxigenic and non-aflatoxigenic strains of A. flavus and A. parasiticus were further studied for measurement capability of FTIR-ATR system in discriminating the toxic streams from just moldy and clean samples. Owing to increased similarity within the collected spectral data due to aflatoxin presence, clean samples (having aflatoxin level lower than 20 ppb, n=44), only moldy samples (having aflatoxin level lower than 300 ppb, n=28) and toxic samples (having aflatoxin level between 300-1200 ppb, n=23) were separated into appropriate classes (with a 100% classification accuracy). Photoacoustic spectroscopy (PAS) is a non-invasive technique and offers many advantages over more traditional ATR system, specifically, for in-field measurements. Even though the sample throughput time is longer compared to ATR measurements, intact seeds can be directly loaded into sample compartment for analysis. Compared to ATR, PAS is more sensitive to high moisture in samples, which in our case was not a problem since peanuts have water content less than 10%. The spectral ranges between: 3600-2750, 1800-1480, 1200-900 cm-1 were assigned as the key bands and full separation between Aspergillus spp. infected and healthy peanuts was obtained. However, PAS was not sensitive as ATR either in species level classification of Aspergillus invasion or toxic-moldy level separation. When run for separation of aflatoxigenic versus non-aflatoxigenic batches of samples, 7 out of 54 contaminated samples were misclassified but all healthy peanuts were correctly identified (15 healthy/ 69 total peanut pods). This study explored the possibility of using vibrational spectroscopy as a tool to understand chemical changes in peanuts and peanut products to Aspergillus invasion or aflatoxin contamination. The overall results of current study proved the potential of FTIR, equipped with either ATR or PAS, in identification, quantification and classification at varying levels of mold density and aflatoxin concentration. These results can be used to develop quality control laboratory methods or in field sorting devices. / Ph. D.

yes / Confocal microscopy is employed as a fast and non-invasive way to capture a sequence of images from different layers and membranes of the cornea. The captured images are used to extract useful and helpful clinical information for early diagnosis of corneal diseases such as, Diabetic Peripheral Neuropathy (DPN). In this paper, an automatic corneal subbasal nerve registration system is proposed. The main aim of the proposed system is to produce a new informative corneal image that contains structural and functional information. In addition a colour coded corneal image map is produced by overlaying a sequence of Cornea Confocal Microscopy (CCM) images that differ in their displacement, illumination, scaling, and rotation to each other. An automatic image registration method is proposed based on combining the advantages of Fast Fourier Transform (FFT) and phase correlation techniques. The proposed registration algorithm searches for the best common features between a number of sequenced CCM images in the frequency domain to produce the formative image map. In this generated image map, each colour represents the severity level of a specific clinical feature that can be used to give ophthalmologists a clear and precise representation of the extracted clinical features from each nerve in the image map. Moreover, successful implementation of the proposed system and the availability of the required datasets opens the door for other interesting ideas; for instance, it can be used to give ophthalmologists a summarized and objective description about a diabetic patient’s health status using a sequence of CCM images that have been captured from different imaging devices and/or at different times

A theoretical study has been conducted to investigate the effect of flat bars supports on the dynamic response of a heat exchanger U-tube. The tube is modelled using three dimensional, six degrees of freedom per node straight beam finite elements. A new method, the stiffness method, is introduced to compute the impact forces at the supports. It is compared with the previously used external force method. Modal analysis is employed to investigate the modal energy dissipation in the higher modes. Time response of the U-tube is analysed using a Fast Fourier Transform algorithm. The effects of clearance, excitation magnitude, and mode coupling through friction at the supports are investigated. / Thesis / Master of Engineering (ME)

<p dir="ltr">Understanding the nonlinear rheological properties of food is essential for improving processes involving large-amplitude deformation such as pumping, extrusion, and consumer consumption. The development of mathematical analyses for analyzing these nonlinear responses has witnessed a notable upswing in the past decades. A novel mathematical analysis called "Sequence of Physical Processes" (SPP) was developed by Rogers et al. in 2011. Ever since, SPP has shown tremendous potential in characterizing and predicting the nonlinear rheological behavior of soft materials and polymers, yet more investigations are required to validate the efficacy of the SPP approach in the realm of food materials. Therefore, this thesis focuses on applying SPP method onto a range of food materials. Most importantly, we compared the analysis with the results obtained from the well-established Ewoldt-McKinley method of coupling “Fourier Transform with Chebyshev Decomposition” (FTC). As a result, it is found that SPP can provide a detailed picture of the material’s deformation history within an oscillation cycle. The time-dependent nature of SPP data allows a more accurate capture of important rheological transitions, which leads to a higher correlation with compositional and microstructural changes in comparison to the FTC method. Recognizing the potential of SPP analysis in studying food materials, this research emphasizes the necessity for further exploration across a diverse array of food types. The thesis contributes valuable insights to the evolving landscape of nonlinear rheological understanding, with the potential to improving methodologies in food processing.</p>

No description available.