Constantes de acidez de ácidos dipróticos a partir de titulações potenciométricas: ilustração dos princípios do cálculo através da construção de um algoritmo muito simples

This work describes the creation of an very simple calculation algorithm, based in basic chemical and mathematic principles, for the calculation of weak diprotic acid dissociation constants as, for example, amino acids, from potentiometric titrations. For an easier understanding of the algorithm the logical reasoning of this calculus is schematized in a diagram of blocks. In the second part of the work the algorithm is applied to an Excel calculation sheet to determine the dissociation constants of Nicotinic Acid and Glycine, from the respective potentiometric titration curves. The values obtained using this algorithm are compared with those estimated by Hyperquad2008 (program generally used for this type of calculus) and also with the values of a stability constants database.

Authenticity study of Phyllanthus species by NMR and FT-IR Techniques coupled with chemometric methods

The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as "quebra-pedras" in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, ¹H HR-MAS NMR and ¹H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques.

BRUNO BAUCH AND THE COMPREHENSIBILITY OF NATURE

ABSTRACT The aim of this paper is to discuss how Bruno Bauch deals with the problem of the coordination between empirical concepts and spatiotemporal objects. We shall argue that Bauch reformulates the Kantian distinction between concepts and intuitions by means of a philosophical consideration of differential calculus and that he thereby explains the possibility of such coordination, avoiding certain difficulties of the Kantian doctrine.

Íleo biliar: enterolitotomia videoassistida

Treatment, morbidity and mortality of patients with gallstone ileus depend on an accurate diagnosis made in time, and also on a more adequate therapeutic option.A detailed clinical evaluation is fundamental for such diagnosis. Complementary exams like a simple radiological study of the abdomen, high and low endoscopies, an ultrasonography, and a tomography can also be performed. The therapeutic options include the removal of the obstructive factor separately, the performance of a treatment in two separate stages, or the performance of a complete treatment (removal of the calculus, cholecystectomy, and the closing of the fistula).This study aims to present a case report of an elderly man of high surgical risk, presenting gallstone ileus. He was submitted to an isolated videoassisted enterolithotomy through a minilaparotomy. Taking into consideration the patient’s advanced age and the lack of evidence as to other biliary associated pathologies, the chosen treatment seemed to be a good alternative. The evolution was good, and after an 8 month follow-up the patient was found well and with no biliary symptoms whatsoever.

Perfuração espontânea de ducto hepático comum

Perforation of common bile duct (CBD) is usually associated with invasive procedures. Spontaneous perforation is rare, and more often described in neonates. We report a case of a spontaneous perforation of CBD in an adult with a family history of cholelithiasis, but with no calculus found during exploration of the biliary tree. The patient was successfully treated by cholecystectomy and T - tube drainage of the CBD.

Scheduling of guarded command based models

Formal methods provide a means of reasoning about computer programs in order to prove correctness criteria. One subtype of formal methods is based on the weakest precondition predicate transformer semantics and uses guarded commands as the basic modelling construct. Examples of such formalisms are Action Systems and Event-B. Guarded commands can intuitively be understood as actions that may be triggered when an associated guard condition holds. Guarded commands whose guards hold are nondeterministically chosen for execution, but no further control flow is present by default. Such a modelling approach is convenient for proving correctness, and the Refinement Calculus allows for a stepwise development method. It also has a parallel interpretation facilitating development of concurrent software, and it is suitable for describing event-driven scenarios. However, for many application areas, the execution paradigm traditionally used comprises more explicit control flow, which constitutes an obstacle for using the above mentioned formal methods. In this thesis, we study how guarded command based modelling approaches can be conveniently and efficiently scheduled in different scenarios. We first focus on the modelling of trust for transactions in a social networking setting. Due to the event-based nature of the scenario, the use of guarded commands turns out to be relatively straightforward. We continue by studying modelling of concurrent software, with particular focus on compute-intensive scenarios. We go from theoretical considerations to the feasibility of implementation by evaluating the performance and scalability of executing a case study model in parallel using automatic scheduling performed by a dedicated scheduler. Finally, we propose a more explicit and non-centralised approach in which the flow of each task is controlled by a schedule of its own. The schedules are expressed in a dedicated scheduling language, and patterns assist the developer in proving correctness of the scheduled model with respect to the original one.

Värispekrien eron laskenta

Olemassa olevat spektrieromittarit eivät vastaa riittävästi CIEDE2000-värieroa. Tämän työn tavoitteena oli toteuttaa menetelmä, joka laskee värispektrien eron siten, että tulos vastaa CIEDE2000-värieroa. Kehitystyön tuloksena syntyi menetelmä, joka perustuu ennalta laskettuihin eroihin tunnettujen spektrien välillä ja niiden perusteella johdettuihin laskentaparametreihin. menetelmällä pystyy laskemaan spektrieroja vain niiden spektrien välillä, jotka saadaan sekoittamalla tunnettuja spektrejä. Laskentaparametrien laskenta on työläs prosessi ja siksi menetelmään toteutettiin hajautus usealle tietokoneelle. Menetelmä saatiin vastaamaan hyvin CIEDE2000:ia suurimmalle osalle spektrejä harvoja poikkeuksia lukuunottamatta. Ongelmat johtuvat mallissa olevasta matemaattisesta ominaisuudesta. Spektrieromittari näyttää metameerisille spektreille nollasta poikkeavan arvon, vaikka CIEDE2000 näyttää nollaa. Tämä osoittaa spektrieromittarin oikeamman toiminnan CIEDE2000-värieroon verrattuna.

Scintigraphy and Doppler ultrasonography for the evaluation of obstructive urinary calculi

Forty-seven patients with unilateral obstructive calculi (12 males and 35 females) were submitted to 99mTc-diethylene triamine pentaacetic acid (DTPA) or 99mTc-dimercaptosuccinic acid (DMSA) scans for assessment of renal function. The scans revealed unilateral functional deficit in 68 and 66% of the patients, respectively. A calculus size of 1.1 to 2.0 cm was significantly associated with deficit detected by DTPA, but duration of obstruction and calculus localization were not. After relief of the obstruction, the mean percent renal function of the affected kidney was found to be significantly increased from 25 ± 12% to 29 ± 12% in DTPA and from 21 ± 15% to 24 ± 12% in DMSA. Initial Doppler ultrasonography performed in 35 patients detected an increased resistive index in 10 (29%). In the remaining patients with a normal resistive index, ureteral urinary jet was observed, indicating partial obstruction. The high frequency of renal function impairment detected by DTPA and of tubulointerstitial damage detected by DMSA as well as the slight amelioration of unilateral renal function after relief of obstruction suggest that scintigraphy assessment may help evaluate the unilateral percentage of renal function and monitor renal function recovery when it occurs. The presence of a urinary jet detected by Doppler ultrasonography further indicates the severity of obstruction and the recovery prognosis.

Korkeapainevesisumusuuttimen virtaustekninen laadunhallinta

Tämä työ vastaa tarpeeseen hallita korkeapainevesisumusuuttimen laatua virtausmekaniikan työkalujen avulla. Työssä tutkitaan suutinten testidatan lisäksi virtauksen käyttäytymistä suuttimen sisällä CFD-laskennan avulla. Virtausmallinnus tehdään Navier-Stokes –pohjaisella laskentamenetelmällä. Työn teoriaosassa käsitellään virtaustekniikkaa ja sen kehitystä yleisesti. Lisäksi esitetään suuttimen laskennassa käytettävää perusteoriaa sekä teknisiä ratkaisuja. Teoriaosassa käydään myös läpi laskennalliseen virtausmekaniikkaan (CFD-laskenta) liittyvää perusteoriaa. Tutkimusosiossa esitetään käsitellyt suutintestitulokset sekä mallinnetaan suutinvirtausta ajasta riippumattomaan virtauslaskentaan perustuvalla laskentamenetelmällä. Virtauslaskennassa käytetään OpenFOAM-laskentaohjelmiston SIMPLE-virtausratkaisijaa sekä k-omega SST –turbulenssimallia. Tehtiin virtausmallinnus kaikilla paineilla, joita suuttimen testauksessa myös todellisuudessa käytetään. Lisäksi selvitettiin mahdolliset kavitaatiokohdat suuttimessa ja suunniteltiin kavitaatiota ehkäisevä suutingeometria. Todettiin myös lämpötilan ja epäpuhtauksien vaikuttavan kavitaatioon sekä mallinnettiin lämpötilan vaikutusta. Luotiin malli, jolla suuttimen suunnitteluun liittyviin haasteisiin voidaan vastata numeerisella laskennalla.

Modeling the water uptake by chicken carcasses during cooling by immersion

In this study, water uptake by poultry carcasses during cooling by water immersion was modeled using artificial neural networks. Data from twenty-five independent variables and the final mass of the carcass were collected in an industrial plant to train and validate the model. Different network structures with one hidden layer were tested, and the Downhill Simplex method was used to optimize the synaptic weights. In order to accelerate the optimization calculus, Principal Component Analysis (PCA) was used to preprocess the input data. The obtained results were: i) PCA reduced the number of input variables from twenty-five to ten; ii) the neural network structure 4-6-1 was the one with the best result; iii) PCA gave the following order of importance: parameters of mass transfer, heat transfer, and initial characteristics of the carcass. The main contributions of this work were to provide an accurate model for predicting the final content of water in the carcasses and a better understanding of the variables involved.

Evolutionary synthesis of stochastic gene network models using feature-based search spaces

A feature-based fitness function is applied in a genetic programming system to synthesize stochastic gene regulatory network models whose behaviour is defined by a time course of protein expression levels. Typically, when targeting time series data, the fitness function is based on a sum-of-errors involving the values of the fluctuating signal. While this approach is successful in many instances, its performance can deteriorate in the presence of noise. This thesis explores a fitness measure determined from a set of statistical features characterizing the time series' sequence of values, rather than the actual values themselves. Through a series of experiments involving symbolic regression with added noise and gene regulatory network models based on the stochastic 'if-calculus, it is shown to successfully target oscillating and non-oscillating signals. This practical and versatile fitness function offers an alternate approach, worthy of consideration for use in algorithms that evaluate noisy or stochastic behaviour.

Generating Relation Algebras for Qualitative Spatial Reasoning

Basic relationships between certain regions of space are formulated in natural language in everyday situations. For example, a customer specifies the outline of his future home to the architect by indicating which rooms should be close to each other. Qualitative spatial reasoning as an area of artificial intelligence tries to develop a theory of space based on similar notions. In formal ontology and in ontological computer science, mereotopology is a first-order theory, embodying mereological and topological concepts, of the relations among wholes, parts, parts of parts, and the boundaries between parts. We shall introduce abstract relation algebras and present their structural properties as well as their connection to algebras of binary relations. This will be followed by details of the expressiveness of algebras of relations for region based models. Mereotopology has been the main basis for most region based theories of space. Since its earliest inception many theories have been proposed for mereotopology in artificial intelligence among which Region Connection Calculus is most prominent. The expressiveness of the region connection calculus in relational logic is far greater than its original eight base relations might suggest. In the thesis we formulate ways to automatically generate representable relation algebras using spatial data based on region connection calculus. The generation of new algebras is a two pronged approach involving splitting of existing relations to form new algebras and refinement of such newly generated algebras. We present an implementation of a system for automating aforementioned steps and provide an effective and convenient interface to define new spatial relations and generate representable relational algebras.

Optimisation et approximation adiabatique

L'approximation adiabatique en mécanique quantique stipule que si un système quantique évolue assez lentement, alors il demeurera dans le même état propre. Récemment, une faille dans l'application de l'approximation adiabatique a été découverte. Les limites du théorème seront expliquées lors de sa dérivation. Ce mémoire à pour but d'optimiser la probabilité de se maintenir dans le même état propre connaissant le système initial, final et le temps d'évolution total. Cette contrainte sur le temps empêche le système d'être assez lent pour être adiabatique. Pour solutionner ce problème, une méthode variationnelle est utilisée. Cette méthode suppose connaître l'évolution optimale et y ajoute une petite variation. Par après, nous insérons cette variation dans l'équation de la probabilité d'être adiabatique et développons en série. Puisque la série est développée autour d'un optimum, le terme d'ordre un doit nécessairement être nul. Ceci devrait nous donner un critère sur l'évolution la plus adiabatique possible et permettre de la déterminer. Les systèmes quantiques dépendants du temps sont très complexes. Ainsi, nous commencerons par les systèmes ayant des énergies propres indépendantes du temps. Puis, les systèmes sans contrainte et avec des fonctions d'onde initiale et finale libres seront étudiés.

Quantum nonlocality, cryptography and complexity

Thèse numérisée par la Division de la gestion de documents et des archives de l'Université de Montréal

Modélisation du carnet d'ordres limites et prévision de séries temporelles

Le contenu de cette thèse est divisé de la façon suivante. Après un premier chapitre d’introduction, le Chapitre 2 est consacré à introduire aussi simplement que possible certaines des théories qui seront utilisées dans les deux premiers articles. Dans un premier temps, nous discuterons des points importants pour la construction de l’intégrale stochastique par rapport aux semimartingales avec paramètre spatial. Ensuite, nous décrirons les principaux résultats de la théorie de l’évaluation en monde neutre au risque et, finalement, nous donnerons une brève description d’une méthode d’optimisation connue sous le nom de dualité. Les Chapitres 3 et 4 traitent de la modélisation de l’illiquidité et font l’objet de deux articles. Le premier propose un modèle en temps continu pour la structure et le comportement du carnet d’ordres limites. Le comportement du portefeuille d’un investisseur utilisant des ordres de marché est déduit et des conditions permettant d’éliminer les possibilités d’arbitrages sont données. Grâce à la formule d’Itô généralisée il est aussi possible d’écrire la valeur du portefeuille comme une équation différentielle stochastique. Un exemple complet de modèle de marché est présenté de même qu’une méthode de calibrage. Dans le deuxième article, écrit en collaboration avec Bruno Rémillard, nous proposons un modèle similaire mais cette fois-ci en temps discret. La question de tarification des produits dérivés est étudiée et des solutions pour le prix des options européennes de vente et d’achat sont données sous forme explicite. Des conditions spécifiques à ce modèle qui permettent d’éliminer l’arbitrage sont aussi données. Grâce à la méthode duale, nous montrons qu’il est aussi possible d’écrire le prix des options européennes comme un problème d’optimisation d’une espérance sur en ensemble de mesures de probabilité. Le Chapitre 5 contient le troisième article de la thèse et porte sur un sujet différent. Dans cet article, aussi écrit en collaboration avec Bruno Rémillard, nous proposons une méthode de prévision des séries temporelles basée sur les copules multivariées. Afin de mieux comprendre le gain en performance que donne cette méthode, nous étudions à l’aide d’expériences numériques l’effet de la force et la structure de dépendance sur les prévisions. Puisque les copules permettent d’isoler la structure de dépendance et les distributions marginales, nous étudions l’impact de différentes distributions marginales sur la performance des prévisions. Finalement, nous étudions aussi l’effet des erreurs d’estimation sur la performance des prévisions. Dans tous les cas, nous comparons la performance des prévisions en utilisant des prévisions provenant d’une série bivariée et d’une série univariée, ce qui permet d’illustrer l’avantage de cette méthode. Dans un intérêt plus pratique, nous présentons une application complète sur des données financières.