Simulación de una columna de destilación simple para una mezcla binaria de compuestos utilizados como biodiesel. Comparación entre un nuevo modelo propuesto y simuladores comerciales de ingeniería química.

Máster Universitario en Sistemas Inteligentes y Aplicaciones Numéricas en Ingeniería (SIANI)

A simple model to estimate active flux in relation to zooplankton lunar cycles in subtropical waters

Máster en Oceanografía. Programa de Doctorado en Oceanografía

Simulations of glacial/interglacial cycles with simple box-models. The ocean CO2 source during deglaciations

Máster en Oceanografía

Desarrollo de videojuegos en 2D usando Simple DirectMedia

[ES]Los Indie games, o videojuegos independientes, son aplicaciones creadas por individuos o pequeños grupos sin apoyo financiero de distribuidores. A menudo se centran en la innovación, y se basan en la distribución digital. En los últimos años han visto un gran aumento principalmente debido a; nuevos métodos de distribución en línea (Steam Greenlight1, Xbox Live2, Playstation Store3, Android Market, Apple Store), nuevas formas de financiación como Kickstarter4 y potentes herramientas gratuitas para el desarrollo. Este proyecto se puede considerar como uno de los primeros pasos en el desarrollo de videojuegos independientes o Indie. Usando SDL como base se pretende diseñar y desarrollar dos prototipos de videojuego, el primero será un clon del conocido Tetris, aprovechando la poca complejidad de las mecánicas del juego para tener un primer contacto con las herramientas. El segundo, de mayor complejidad, se centrará en desarrollar las principales características de un juego tipo plataformas en 2D, del estilo Super Mario, Sonic o los anteriormente mencionados Super Meat Boy y Braid. La Simple DirectMedia Layer (SDL) es un conjunto de bibliotecas desarrolladas en el lenguaje de programación C, que proporcionan funciones básicas para realizar operaciones de dibujo en dos dimensiones, gestión de efectos de sonido y música, además de carga y gestión de imágenes. Fueron desarrolladas inicialmente por Sam Lantinga en 1998, en este proyecto se ha usado la versión 1.2.15 y se espera que este año se termine la versión 2.0, el uno de Junio de este año ha alcanzado el estado Release Candidate.

On the use of simple geometric descriptors provided by RGB-D sensors for re-identification

[EN]The re-identification problem has been commonly accomplished using appearance features based on salient points and color information. In this paper, we focus on the possibilities that simple geometric features obtained from depth images captured with RGB-D cameras may offer for the task, particularly working under severe illumination conditions. The results achieved for different sets of simple geometric features extracted in a top-view setup seem to provide useful descriptors for the re-identification task, which can be integrated in an ambient intelligent environment as part of a sensor network.

Simple superposition approach for dynamic analysis of piled embedded footings.

[EN]The effectiveness and accuracy of the superposition method in assessing the dynamic stiffness and damping functions of embedded footings supported by vertical piles in homogeneous viscoelastic soil is addressed. To the end, the impedances of piled embedded footings are compared to those obtained by suporposing the impedance functions of the corresponding pile groups and embedded footing treated separately.

A simple strategy for defining polynomial spline spaces over hierarchical T-meses

[EN]We present a new strategy for constructing spline spaces over hierarchical T-meshes with quad- and octree subdivision scheme. The proposed technique includes some simple rules for inferring local knot vectors to define C 2 -continuous cubic tensor product spline blending functions. Our conjecture is that these rules allow to obtain, for a given T-mesh, a set of linearly independent spline functions with the property that spaces spanned by nested T-meshes are also nested, and therefore, the functions can reproduce cubic polynomials. In order to span spaces with these properties applying the proposed rules, the T-mesh should fulfill the only requirement of being a 0- balanced mesh...

Structure formation as studied by EPR spectroscopy: From simple solutions to nanoparticles

In this thesis, three nitroxide based ionic systems were used to investigate structure and dynamics of their respective solutions in mixed solvents by means of electron paramagnetic resonance (EPR) and electron nuclear double resonance (ENDOR) spectroscopy at X- and W-band (9.5 and 94.5 GHz, respectively). rnFirst, the solvation of the inorganic radical Fremy’s salt (K2ON(SO3)2) in isotope substituted binary solvent mixtures (methanol/water) was investigated by means of high-field (W-band) pulse ENDOR spectroscopy and molecular dynamics (MD) simulations. From the analysis of orientation-selective 1H and 2H ENDOR spectra the principal components of the hyperfine coupling (hfc) tensor for chemically different protons (alcoholic methyl vs. exchangeable protons) were obtained. The methyl protons of the organic solvent approach with a mean distance of 3.5 Å perpendicular to the approximate plane spanned by ON(S)2 of the probe molecule. Exchangeable protons were found to be distributed isotropically, approaching closest to Fremy’s salt from the hydrogen-bonded network around the sulfonate groups. The distribution of exchangeable and methyl protons as found in MD simulations is in full agreement with the ENDOR results. The solvation was found to be similar for the studied solvent ratios between 1:2.3 and 2.3:1 and dominated by an interplay of H-bond (electrostatic) interactions and steric considerations with the NO group merely involved into H-bonds.rnFurther, the conformation of spin labeled poly(diallyldimethylammonium chloride) (PDADMAC) solutions in aqueous alcohol (methanol, ethanol, n-propanol, ethylene glycol, glycerol) mixtures in dependence of divalent sodium sulfate was investigated with double electron-electron resonance (DEER) spectroscopy. The DEER data was analyzed using the worm-like chain model which suggests that in organic-water solvent mixtures the polymer backbones are preferentially solvated by the organic solvent. We found a less serve impact on conformational changes due to salt than usually predicted in polyelectrolyte theory which stresses the importance of a delicate balance of hydrophobic and electrostatic interactions, in particular in the presence of organic solvents.rnFinally, the structure and dynamics of miniemulsions and polymerdispersions prepared with anionic surfactants, that were partially replaced by a spin labeled fatty acid in presence and absence of a lanthanide beta-diketonate complex was characterized by CW EPR spectroscopy. Such miniemulsions form multilayers with the surfactant head group bound to the lanthanide ion. Beta-diketonates were formerly used as NMR shift reagents and nowadays find application as luminescent materials in OLEDs and LCDs and as contrast agent in MRT. The embedding of the complex into a polymer matrix results in an easy processable material. It was found that the structure formation takes place in miniemulsion and is preserved during polymerization. For surfactants with carboxyl-head group a higher order of the alkyl chains and less lateral diffusion is found than for sulfat-head groups, suggesting a more uniform and stronger coordination to the metal ion. The stability of these bilayers depends on the temperature and the used surfactant which should be considered for the used polymerization temperature if a maximum output of the structured regions is wished.

Beyond simple proton transfer processes: domino reactions between 4-substituted indoles and nitroethene as a new gateway to ergot alkaloids

The multimodal biology activity of ergot alkaloids is known by humankind since middle ages. Synthetically modified ergot alkaloids are used for the treatment of various medical conditions. Despite the great progress in organic syntheses, the total synthesis of ergot alkaloids remains a great challenge due to the complexity of their polycyclic structure with multiple stereogenic centres. This project has developed a new domino reaction between indoles bearing a Michael acceptor at the 4 position and nitroethene, leading to potential ergot alkaloid precursors in highly enantioenriched form. The reaction was optimised and applied to a large variety of substrate with good results. Even if unfortunately all attempts to further modify the obtained polycyclic structure failed, it was found a reaction able to produce the diastereoisomer of the polycyclic product in excellent yields. The compounds synthetized were characterized by NMR and ESIMS analysis confirming the structure and their enantiomeric excess was determined by chiral stationary phase HPLC. The mechanism of the reaction was evaluated by DFT calculations, showing the formation of a key bicoordinated nitronate intermediate, and fully accounting for the results observed with all substrates. The relative and absolute configuration of the adducts were determined by a combination of NMR, ECD and computational methods.

A simple and novel method to monitor breathing and heart rate in awake and urethane-anesthetized newborn rodents

Rodents are most useful models to study physiological and pathophysiological processes in early development, because they are born in a relatively immature state. However, only few techniques are available to monitor non-invasively heart frequency and respiratory rate in neonatal rodents without restraining or hindering access to the animal. Here we describe experimental procedures that allow monitoring of heart frequency by electrocardiography (ECG) and breathing rate with a piezoelectric transducer (PZT) element without hindering access to the animal. These techniques can be easily installed and are used in the present study in unrestrained awake and anesthetized neonatal C57/Bl6 mice and Wistar rats between postnatal day 0 and 7. In line with previous reports from awake rodents we demonstrate that heart rate in rats and mice increases during the first postnatal week. Respiratory frequency did not differ between both species, but heart rate was significantly higher in mice than in rats. Further our data indicate that urethane, an agent that is widely used for anesthesia, induces a hypoventilation in neonates whilst heart rate remains unaffected at a dose of 1 g per kg body weight. Of note, hypoventilation induced by urethane was not detected in rats at postnatal 0/1. To verify the detected hypoventilation we performed blood gas analyses. We detected a respiratory acidosis reflected by a lower pH and elevated level in CO2 tension (pCO2) in both species upon urethane treatment. Furthermore we found that metabolism of urethane is different in P0/1 mice and rats and between P0/1 and P6/7 in both species. Our findings underline the usefulness of monitoring basic cardio-respiratory parameters in neonates during anesthesia. In addition our study gives information on developmental changes in heart and breathing frequency in newborn mice and rats and the effects of urethane in both species during the first postnatal week.