Synthesis and spectral studies of methyl heterocylic systems

2-Carboxy-2?-methyldiphenyl sulfide was prepared by the Ullmann reaction and cyclodehydrated by sulfuric acid to afford 4-methylthioxanthone. 1-Methylthioxanthone was separated from the reaction mixture obtained upon cyclodehydration of 2-carboxy-3f-methyldiphenyl sulfide. In addition, 1-, 2-, 3- and 4-methylthioxanthone 10,10-dioxides were synthesized by oxidation of the corresponding thioxanthones. o-, m- and p-N-Tolylanthranilic acids were prepared by the Ullmann reaction and used as precursors for the preparation of 1-, 2- and 4- methyl-9-chloroacridine and finally 1-, 2-, 3- and 4-methylacridone. High resolution, 60 MHz PMR spectra were obtained on the four monomethyl isomers of xanthone, thioxanthone, thioxanthone 10,10-dioxide and acridone, and on 1-, 2- and 4-methyl-9-chloroacridine. For some compounds, coupling of all three different aromatic protons to the methyl was observed, two of the couplings typically being smaller than the third. With the large (ortho) coupling being on the order of 0.5 to 1.0 Hz, it was necessary to decouple the aromatic part of the spectrum. The magnitude of the ortho benzylic constant may be related to an incomplete Tr-bond delocalization in the molecules.

Pointers on Design and Operation of Cattle Restrainer Systems

The article discusses the importance of design and the people who run handling systems.

A Categorical Framework for the Specification and the Verification of Aspect Oriented Systems

Un objectif principal du génie logiciel est de pouvoir produire des logiciels complexes, de grande taille et fiables en un temps raisonnable. La technologie orientée objet (OO) a fourni de bons concepts et des techniques de modélisation et de programmation qui ont permis de développer des applications complexes tant dans le monde académique que dans le monde industriel. Cette expérience a cependant permis de découvrir les faiblesses du paradigme objet (par exemples, la dispersion de code et le problème de traçabilité). La programmation orientée aspect (OA) apporte une solution simple aux limitations de la programmation OO, telle que le problème des préoccupations transversales. Ces préoccupations transversales se traduisent par la dispersion du même code dans plusieurs modules du système ou l’emmêlement de plusieurs morceaux de code dans un même module. Cette nouvelle méthode de programmer permet d’implémenter chaque problématique indépendamment des autres, puis de les assembler selon des règles bien définies. La programmation OA promet donc une meilleure productivité, une meilleure réutilisation du code et une meilleure adaptation du code aux changements. Très vite, cette nouvelle façon de faire s’est vue s’étendre sur tout le processus de développement de logiciel en ayant pour but de préserver la modularité et la traçabilité, qui sont deux propriétés importantes des logiciels de bonne qualité. Cependant, la technologie OA présente de nombreux défis. Le raisonnement, la spécification, et la vérification des programmes OA présentent des difficultés d’autant plus que ces programmes évoluent dans le temps. Par conséquent, le raisonnement modulaire de ces programmes est requis sinon ils nécessiteraient d’être réexaminés au complet chaque fois qu’un composant est changé ou ajouté. Il est cependant bien connu dans la littérature que le raisonnement modulaire sur les programmes OA est difficile vu que les aspects appliqués changent souvent le comportement de leurs composantes de base [47]. Ces mêmes difficultés sont présentes au niveau des phases de spécification et de vérification du processus de développement des logiciels. Au meilleur de nos connaissances, la spécification modulaire et la vérification modulaire sont faiblement couvertes et constituent un champ de recherche très intéressant. De même, les interactions entre aspects est un sérieux problème dans la communauté des aspects. Pour faire face à ces problèmes, nous avons choisi d’utiliser la théorie des catégories et les techniques des spécifications algébriques. Pour apporter une solution aux problèmes ci-dessus cités, nous avons utilisé les travaux de Wiels [110] et d’autres contributions telles que celles décrites dans le livre [25]. Nous supposons que le système en développement est déjà décomposé en aspects et classes. La première contribution de notre thèse est l’extension des techniques des spécifications algébriques à la notion d’aspect. Deuxièmement, nous avons défini une logique, LA , qui est utilisée dans le corps des spécifications pour décrire le comportement de ces composantes. La troisième contribution consiste en la définition de l’opérateur de tissage qui correspond à la relation d’interconnexion entre les modules d’aspect et les modules de classe. La quatrième contribution concerne le développement d’un mécanisme de prévention qui permet de prévenir les interactions indésirables dans les systèmes orientés aspect.

Mechanical simulation of the endovascular repair of abdominal aortic aneurysms

Ce travail de thèse porte sur la simulation du déploiement des prothèses vasculaires de type stent-graft (SG) lors de la réparation endovasculaire (EVAR) des anévrismes de l’aorte abdominale (AAA). Cette étude se présente en trois parties: (i) tests mécaniques en flexion et compression de SG couramment utilisés (corps et jambage de marque Cook) ainsi que la simulation numérique desdits tests, (ii) développement d’un modèle numérique d’anévrisme, (iii) stratégie de simulation du déploiement des SG. La méthode numérique employée est celle des éléments finis. Dans un premier temps, une vérification du modèle éléments finis (MEF) des SG est realisée par comparaison des différents cas de charge avec leur pendant expérimental. Ensuite, le MEF vasculaire (AAA) est lui aussi vérifié lors d’une comparaison des niveaux de contraintes maximales principales dans la paroi avec des valeurs de la littérature. Enfin, le déploiement est abordé tout en intégrant les cathéters. Les tests mécaniques menés sur les SG ont été simulés avec une différence maximale de 5,93%, tout en tenant compte de la pré-charge des stents. Le MEF de la structure vasculaire a montré des contraintes maximales principales éloignées de 4,41% par rapport à un modèle similaire précédemment publié. Quant à la simulation du déploiement, un jeu complet de SG a pu être déployé avec un bon contrôle de la position relative et globale, dans un AAA spécifique pré-déformé, sans toutefois inclure de thrombus intra-luminal (TIL). La paroi du AAA a été modélisée avec une loi de comportement isotropique hyperélastique. Étant donné que la différence maximale tolérée en milieu clinique entre réalité et simulation est de 5%, notre approche semble acceptable et pourrait donner suite à de futurs développements. Cela dit, le petit nombre de SG testés justifie pleinement une vaste campagne de tests mécaniques et simulations supplémentaires à des fins de validation.

Spectrum simulation of rough and nanostructured targets from their 2D and 3D image by Monte Carlo methods

Corteo is a program that implements Monte Carlo (MC) method to simulate ion beam analysis (IBA) spectra of several techniques by following the ions trajectory until a sufficiently large fraction of them reach the detector to generate a spectrum. Hence, it fully accounts for effects such as multiple scattering (MS). Here, a version of Corteo is presented where the target can be a 2D or 3D image. This image can be derived from micrographs where the different compounds are identified, therefore bringing extra information into the solution of an IBA spectrum, and potentially significantly constraining the solution. The image intrinsically includes many details such as the actual surface or interfacial roughness, or actual nanostructures shape and distribution. This can for example lead to the unambiguous identification of structures stoichiometry in a layer, or at least to better constraints on their composition. Because MC computes in details the trajectory of the ions, it simulates accurately many of its aspects such as ions coming back into the target after leaving it (re-entry), as well as going through a variety of nanostructures shapes and orientations. We show how, for example, as the ions angle of incidence becomes shallower than the inclination distribution of a rough surface, this process tends to make the effective roughness smaller in a comparable 1D simulation (i.e. narrower thickness distribution in a comparable slab simulation). Also, in ordered nanostructures, target re-entry can lead to replications of a peak in a spectrum. In addition, bitmap description of the target can be used to simulate depth profiles such as those resulting from ion implantation, diffusion, and intermixing. Other improvements to Corteo include the possibility to interpolate the cross-section in angle-energy tables, and the generation of energy-depth maps.

Simulation of the postoperative trunk appearance in scoliosis surgery

Persistence of external trunk asymmetry after scoliosis surgical treatment is frequent and difficult to predict by clinicians. This is a significant problem considering that correction of the apparent deformity is a major factor of satisfaction for the patients. A simulation of the correction on the external appearance would allow the clinician to illustrate to the patient the potential result of the surgery and would help in deciding on a surgical strategy that could most improve his/her appearance. We describe a method to predict the scoliotic trunk shape after a spine surgical intervention. The capability of our method was evaluated using real data of scoliotic patients. Results of the qualitative evaluation were very promising and a quantitative evaluation based on the comparison of the simulated and the actual postoperative trunk surface showed an adequate accuracy for clinical assessment. The required short simulation time also makes our approach an eligible candidate for a clinical environment demanding interactive simulations.

Differences in Standing and Sitting Postures of Youth with Idiopathic Scoliosis from Quantitative Analysis of Digital Photographs

The objective of this study was to explore whether differences in standing and sitting postures of youth with idiopathic scoliosis could be detected from quantitative analysis of digital photographs. Standing and sitting postures of 50 participants aged 10–20-years-old with idiopathic scoliosis (Cobb angle: 15° to 60°) were assessed from digital photographs using a posture evaluation software program. Based on the XY coordinates of markers, 13 angular and linear posture indices were calculated in both positions. Paired t-tests were used to compare values of standing and sitting posture indices. Significant differences between standing and sitting positions (p < 0.05) were found for head protraction, shoulder elevation, scapula asymmetry, trunk list, scoliosis angle, waist angles, and frontal and sagittal plane pelvic tilt. Quantitative analysis of digital photographs is a clinically feasible method to measure standing and sitting postures among youth with scoliosis and to assist in decisions on therapeutic interventions.

Development of Cell Culture Systems from Selected Species of Fish and Prawns

The present work deals with the development of primary cell culture and diploid cell lines from two fishes, such as Poecilia reticulata and Clarias gariepinus. The greatest difficulty experienced was the avoidance of bacterial and fungi contamination. Three types of cell cultures are commonly developed, primary cell culture, diploid cell lines and heteroploid cell lines. Primary cell culture obtained from the animal tissues that have been cultivated in vitro for the first time. They are characterized by the same chromosome number as parent tissue, cultivated in vitro for the first time, have wide range of virus susceptibility, usually not malignant, six chromatin retarded and do not grow as suspension cultures. Diploid cell lines arise from a primary cell culture at the time of subculturing. Diploid cell lines commercially used in virology are W1-38 (human embryonic lung), W1-26 (human embryonic lung) and HEX (Human embryonic kidney). Heteroploid cell lines have been subcultivated with less than 75% of the cells in the population having a diploid chromosome constitution. Tissue cultures have been extensively used in biomedical research. The main applications are in three areas, Karyological studies, Identification and study of hereditary metabolic disorders and Somatic cell genetics. Other applications are in virology and host-parasite relationships. In this study an attempt was made to preserve the ovarian tissue at low temperature in the presence of cryoprotectants so that the tissue can be retrieved at any time and a cell culture could be developed.

CFD Simulation of Multiphase Reactors

Regional Research Laboratory

Acid base and catalytic properties of Zr02 - Y203 systems

The surface acidity and basicity of mixed oxides of Zr and Y and their mixed oxides have been determined by titration method using Hammett indicators. The acid base properties are evaluated on a common scale of acid strength. Liquid phase reduction of cyclohexanone has been selected as a model reaction to correlate catalytic activity.

Dynamical aspects of coupled Rossler systems: effects of noise

Nonlinear time series analysis is employed to study the complex behaviour exhibited by a coupled pair of Rossler systems. Dimensional analysis with emphasis on the topological correlation dimension and the Kolmogorov entropy of the system is carried out in the coupling parameter space. The regime of phase synchronization is identified and the extent of synchronization between the systems constituting the coupled system is quantified by the phase synchronization index. The effect of noise on the coupling between the systems is also investigated. An exhaustive study of the topological, dynamical and synchronization properties of the nonlinear system under consideration in its characteristic parameter space is attempted.

Studies on nonlinear dynamics of certain reaction systems

The nonlinear dynamics of certain important reaction systems are discussed and analysed in this thesis. The interest in the theoretical and the experimental studies of chemical reactions showing oscillatory dynamics and associated properties is increasing very rapidly. An attempt is made to study some nonlinear phenomena exhibited by the well known chemical oscillator, the BelousovZhabotinskii reaction whose mathematical properties are much in common with the properties of biological oscillators. While extremely complex, this reaction is still much simpler than biological systems at least from the modelling point of view. A suitable model [19] for the system is analysed and the researcher has studied the limit cycle behaviour of the system, for different values of the stoichiometric parameter f, by keeping the value of the reaction rate (k6) fixed at k6 = l. The more complicated three-variable model is stiff in nature.