Granular layer in the periplasmic space of gram-positive bacteria and fine structures of Enterococcus gallinarum and Streptococcus gordonii septa revealed by cryo-electron microscopy of vitreous sections.

High-resolution structural information on optimally preserved bacterial cells can be obtained with cryo-electron microscopy of vitreous sections. With the help of this technique, the existence of a periplasmic space between the plasma membrane and the thick peptidoglycan layer of the gram-positive bacteria Bacillus subtilis and Staphylococcus aureus was recently shown. This raises questions about the mode of polymerization of peptidoglycan. In the present study, we report the structure of the cell envelope of three gram-positive bacteria (B. subtilis, Streptococcus gordonii, and Enterococcus gallinarum). In the three cases, a previously undescribed granular layer adjacent to the plasma membrane is found in the periplasmic space. In order to better understand how nascent peptidoglycan is incorporated into the mature peptidoglycan, we investigated cellular regions known to represent the sites of cell wall production. Each of these sites possesses a specific structure. We propose a hypothetic model of peptidoglycan polymerization that accommodates these differences: peptidoglycan precursors could be exported from the cytoplasm to the periplasmic space, where they could diffuse until they would interact with the interface between the granular layer and the thick peptidoglycan layer. They could then polymerize with mature peptidoglycan. We report cytoplasmic structures at the E. gallinarum septum that could be interpreted as cytoskeletal elements driving cell division (FtsZ ring). Although immunoelectron microscopy and fluorescence microscopy studies have demonstrated the septal and cytoplasmic localization of FtsZ, direct visualization of in situ FtsZ filaments has not been obtained in any electron microscopy study of fixed and dehydrated bacteria.

On the generative equations of fractal self-similarity in granular media and the related PSD models

The physical appearance of granular media suggests the existence of geometrical scale invariance. The paper discuss how this physico-empirical property can be mathematically encoded leading to different generative models: a smooth one encoded by a differential equation and another encoded by an equation coming from a measure theoretical property.

Statistical mechanics approaches to granular media: between micromechanics and macromechanics

The mechanical behavior of granular materials has been traditionally approached through two theoretical and computational frameworks: macromechanics and micromechanics. Macromechanics focuses on continuum based models. In consequence it is assumed that the matter in the granular material is homogeneous and continuously distributed over its volume so that the smallest element cut from the body possesses the same physical properties as the body. In particular, it has some equivalent mechanical properties, represented by complex and non-linear constitutive relationships. Engineering problems are usually solved using computational methods such as FEM or FDM. On the other hand, micromechanics is the analysis of heterogeneous materials on the level of their individual constituents. In granular materials, if the properties of particles are known, a micromechanical approach can lead to a predictive response of the whole heterogeneous material. Two classes of numerical techniques can be differentiated: computational micromechanics, which consists on applying continuum mechanics on each of the phases of a representative volume element and then solving numerically the equations, and atomistic methods (DEM), which consist on applying rigid body dynamics together with interaction potentials to the particles. Statistical mechanics approaches arise between micro and macromechanics. It tries to state which the expected macroscopic properties of a granular system are, by starting from a micromechanical analysis of the features of the particles and the interactions. The main objective of this paper is to introduce this approach.

Representing microstates of static granular matter in a stress phase space

A stress phase space is proposed to compare the static packings of a granular system (microstates) that are compatible to a macrostate described by external stresses. The equivalent stress of each particle of a static packing can be obtained from the mechanical interaction forces, and the associated volume is given by the respective Voronoi cell. Therefore, particles can be located at different stress levels and grouped into categories or configurations, which are defined in base of the geometrical features of the local arrangement (in particular, of the number of forces that keep them force-balanced). They can be represented as points in a stress phase space. The nature of this space is analyzed in detail. The integration limits of the stress variables that avoid or limit tensile states and the capability of each configuration to represent specific stress states establish its main features. Furthermore, if some stress variables are used, instead of the usual components of the Cauchy stress tensor, then some symmetries can be found. Results obtained from molecular dynamics simulations are used to check this nature. Finally, some statistical ensembles are written in terms of the coordinates of this phase space. These require some assumptions that are made in base on continuum mechanics principles.

A packing computational method relating fractal particle size distribution and void fraction in granular media

The study of granular systems is of great interest to many fields of science and technology. The packing of particles affects to the physical properties of the granular system. In particular, the crucial influence of particle size distribution (PSD) on the random packing structure increase the interest in relating both, either theoretically or by computational methods. A packing computational method is developed in order to estimate the void fraction corresponding to a fractal-like particle size distribution.

Thermodynamic aproach to particle size distribution in granular media

The study of particulate systems is of great interest in many fields of science and technology. Soil, sediments, powders, granular materials, colloidal and particulate suspensions are examples of systems involving many size particles. For those systems, the statistical description of the particle size distribution (PSD), that is, the mathematical distribution that defines the relative amounts of particles present, sorted according to size, is a crutial issue. The PSD can be important in understanding soil hydraulic properties, the geological origin or sediments or the physical and chemical properties of granular materials and ceramics, among others.

Computer simulation of random parckings for self-similar particle size distributions in soil and granular materials: porosity and pore size distribution

A 2D computer simulation method of random packings is applied to sets of particles generated by a self-similar uniparametric model for particle size distributions (PSDs) in granular media. The parameter p which controls the model is the proportion of mass of particles corresponding to the left half of the normalized size interval [0,1]. First the influence on the total porosity of the parameter p is analyzed and interpreted. It is shown that such parameter, and the fractal exponent of the associated power scaling, are efficient packing parameters, but this last one is not in the way predicted in a former published work addressing an analogous research in artificial granular materials. The total porosity reaches the minimum value for p = 0.6. Limited information on the pore size distribution is obtained from the packing simulations and by means of morphological analysis methods. Results show that the range of pore sizes increases for decreasing values of p showing also different shape in the volume pore size distribution. Further research including simulations with a greater number of particles and image resolution are required to obtain finer results on the hierarchical structure of pore space.

A Packing Computational Method Relating Fractal Particle Size Distribution and Void Fraction in Granular Media

The study of granular systems is of great interest to many fields of science and technology. The packing of particles affects to the physical properties of the granular system. In particular, the crucial influence of particle size distribution (PSD) on the random packing structure increase the interest in relating both, either theoretically or by computational methods. A packing computational method is developed in order to estimate the void fraction corresponding to a fractal-like particle size distribution.

Permanent deformation estimates of dynamic equipment foundations: Application to a gas turbine in granular soils

Permanent displacements of a gas turbine founded on a fine, poorly graded, and medium density sand are studied. The amplitudes and modes of vibration are computed using Barkan´s formulation, and the “High-Cycle Accumulation” (HCA) model is employed to account for accumulated deformations due to the high number of cycles. The methodology is simple: it can be easily incorporated into standard mathematical software, and HCA model parameters can be estimated based on granulometry and index properties. Special attention is devoted to ‘transient’ situations at equipment´s start-up, during which a range of frequencies – including frequencies that could be similar to the natural frequencies of the ground – is traversed. Results show that such transient situations could be more restrictive than stationary situations corresponding to normal operation. Therefore, checking the stationary situation only might not be enough, and studying the influence of transient situations on computed permanent displacements is needed to produce a proper foundation design

Especificaciones eMathTeacher, creación del Modelo Granular Lingüístico de la evaluación del aprendizaje humano, y diseño de sistemas que implementan estos conceptos

El concepto de algoritmo es básico en informática, por lo que es crucial que los alumnos profundicen en él desde el inicio de su formación. Por tanto, contar con una herramienta que guíe a los estudiantes en su aprendizaje puede suponer una gran ayuda en su formación. La mayoría de los autores coinciden en que, para determinar la eficacia de una herramienta de visualización de algoritmos, es esencial cómo se utiliza. Así, los estudiantes que participan activamente en la visualización superan claramente a los que la contemplan de forma pasiva. Por ello, pensamos que uno de los mejores ejercicios para un alumno consiste en simular la ejecución del algoritmo que desea aprender mediante el uso de una herramienta de visualización, i. e. consiste en realizar una simulación visual de dicho algoritmo. La primera parte de esta tesis presenta los resultados de una profunda investigación sobre las características que debe reunir una herramienta de ayuda al aprendizaje de algoritmos y conceptos matemáticos para optimizar su efectividad: el conjunto de especificaciones eMathTeacher, además de un entorno de aprendizaje que integra herramientas que las cumplen: GRAPHs. Hemos estudiado cuáles son las cualidades esenciales para potenciar la eficacia de un sistema e-learning de este tipo. Esto nos ha llevado a la definición del concepto eMathTeacher, que se ha materializado en el conjunto de especificaciones eMathTeacher. Una herramienta e-learning cumple las especificaciones eMathTeacher si actúa como un profesor virtual de matemáticas, i. e. si es una herramienta de autoevaluación que ayuda a los alumnos a aprender de forma activa y autónoma conceptos o algoritmos matemáticos, corrigiendo sus errores y proporcionando pistas para encontrar la respuesta correcta, pero sin dársela explícitamente. En estas herramientas, la simulación del algoritmo no continúa hasta que el usuario introduce la respuesta correcta. Para poder reunir en un único entorno una colección de herramientas que cumplan las especificaciones eMathTeacher hemos creado GRAPHs, un entorno ampliable, basado en simulación visual, diseñado para el aprendizaje activo e independiente de los algoritmos de grafos y creado para que en él se integren simuladores de diferentes algoritmos. Además de las opciones de creación y edición del grafo y la visualización de los cambios producidos en él durante la simulación, el entorno incluye corrección paso a paso, animación del pseudocódigo del algoritmo, preguntas emergentes, manejo de las estructuras de datos del algoritmo y creación de un log de interacción en XML. Otro problema que nos planteamos en este trabajo, por su importancia en el proceso de aprendizaje, es el de la evaluación formativa. El uso de ciertos entornos e-learning genera gran cantidad de datos que deben ser interpretados para llegar a una evaluación que no se limite a un recuento de errores. Esto incluye el establecimiento de relaciones entre los datos disponibles y la generación de descripciones lingüísticas que informen al alumno sobre la evolución de su aprendizaje. Hasta ahora sólo un experto humano era capaz de hacer este tipo de evaluación. Nuestro objetivo ha sido crear un modelo computacional que simule el razonamiento del profesor y genere un informe sobre la evolución del aprendizaje que especifique el nivel de logro de cada uno de los objetivos definidos por el profesor. Como resultado del trabajo realizado, la segunda parte de esta tesis presenta el modelo granular lingüístico de la evaluación del aprendizaje, capaz de modelizar la evaluación y generar automáticamente informes de evaluación formativa. Este modelo es una particularización del modelo granular lingüístico de un fenómeno (GLMP), en cuyo desarrollo y formalización colaboramos, basado en la lógica borrosa y en la teoría computacional de las percepciones. Esta técnica, que utiliza sistemas de inferencia basados en reglas lingüísticas y es capaz de implementar criterios de evaluación complejos, se ha aplicado a dos casos: la evaluación, basada en criterios, de logs de interacción generados por GRAPHs y de cuestionarios de Moodle. Como consecuencia, se han implementado, probado y utilizado en el aula sistemas expertos que evalúan ambos tipos de ejercicios. Además de la calificación numérica, los sistemas generan informes de evaluación, en lenguaje natural, sobre los niveles de competencia alcanzados, usando sólo datos objetivos de respuestas correctas e incorrectas. Además, se han desarrollado dos aplicaciones capaces de ser configuradas para implementar los sistemas expertos mencionados. Una procesa los archivos producidos por GRAPHs y la otra, integrable en Moodle, evalúa basándose en los resultados de los cuestionarios. ABSTRACT The concept of algorithm is one of the core subjects in computer science. It is extremely important, then, for students to get a good grasp of this concept from the very start of their training. In this respect, having a tool that helps and shepherds students through the process of learning this concept can make a huge difference to their instruction. Much has been written about how helpful algorithm visualization tools can be. Most authors agree that the most important part of the learning process is how students use the visualization tool. Learners who are actively involved in visualization consistently outperform other learners who view the algorithms passively. Therefore we think that one of the best exercises to learn an algorithm is for the user to simulate the algorithm execution while using a visualization tool, thus performing a visual algorithm simulation. The first part of this thesis presents the eMathTeacher set of requirements together with an eMathTeacher-compliant tool called GRAPHs. For some years, we have been developing a theory about what the key features of an effective e-learning system for teaching mathematical concepts and algorithms are. This led to the definition of eMathTeacher concept, which has materialized in the eMathTeacher set of requirements. An e-learning tool is eMathTeacher compliant if it works as a virtual math trainer. In other words, it has to be an on-line self-assessment tool that helps students to actively and autonomously learn math concepts or algorithms, correcting their mistakes and providing them with clues to find the right answer. In an eMathTeacher-compliant tool, algorithm simulation does not continue until the user enters the correct answer. GRAPHs is an extendible environment designed for active and independent visual simulation-based learning of graph algorithms, set up to integrate tools to help the user simulate the execution of different algorithms. Apart from the options of creating and editing the graph, and visualizing the changes made to the graph during simulation, the environment also includes step-by-step correction, algorithm pseudo-code animation, pop-up questions, data structure handling and XML-based interaction log creation features. On the other hand, assessment is a key part of any learning process. Through the use of e-learning environments huge amounts of data can be output about this process. Nevertheless, this information has to be interpreted and represented in a practical way to arrive at a sound assessment that is not confined to merely counting mistakes. This includes establishing relationships between the available data and also providing instructive linguistic descriptions about learning evolution. Additionally, formative assessment should specify the level of attainment of the learning goals defined by the instructor. Till now, only human experts were capable of making such assessments. While facing this problem, our goal has been to create a computational model that simulates the instructor’s reasoning and generates an enlightening learning evolution report in natural language. The second part of this thesis presents the granular linguistic model of learning assessment to model the assessment of the learning process and implement the automated generation of a formative assessment report. The model is a particularization of the granular linguistic model of a phenomenon (GLMP) paradigm, based on fuzzy logic and the computational theory of perceptions, to the assessment phenomenon. This technique, useful for implementing complex assessment criteria using inference systems based on linguistic rules, has been applied to two particular cases: the assessment of the interaction logs generated by GRAPHs and the criterion-based assessment of Moodle quizzes. As a consequence, several expert systems to assess different algorithm simulations and Moodle quizzes have been implemented, tested and used in the classroom. Apart from the grade, the designed expert systems also generate natural language progress reports on the achieved proficiency level, based exclusively on the objective data gathered from correct and incorrect responses. In addition, two applications, capable of being configured to implement the expert systems, have been developed. One is geared up to process the files output by GRAPHs and the other one is a Moodle plug-in set up to perform the assessment based on the quizzes results.

Calcium-dependent enzyme activation and vacuole formation in the apical granular region of pancreatic acinar cells

The pancreatic acinar cell produces powerful digestive enzymes packaged in zymogen granules in the apical pole. Ca2+ signals elicited by acetylcholine or cholecystokinin (CCK) initiate enzyme secretion by exocytosis through the apical membrane. Intracellular enzyme activation is normally kept to a minimum, but in the often-fatal human disease acute pancreatitis, autodigestion occurs. How the enzymes become inappropriately activated is unknown. We monitored the cytosolic Ca2+ concentration ([Ca2+]i), intracellular trypsin activation, and its localization in isolated living cells with specific fluorescent probes and studied intracellular vacuole formation by electron microscopy as well as quantitative image analysis (light microscopy). A physiological CCK level (10 pM) eliciting regular Ca2+ spiking did not evoke intracellular trypsin activation or vacuole formation. However, stimulation with 10 nM CCK, evoking a sustained rise in [Ca2+]i, induced pronounced trypsin activation and extensive vacuole formation, both localized in the apical pole. Both processes were abolished by preventing abnormal [Ca2+]i elevation, either by preincubation with the specific Ca2+ chelator 1,2-bis(O-aminophenoxy)ethane-N,N-N′,N′-tetraacetic acid (BAPTA) or by removal of external Ca2+. CCK hyperstimulation evokes intracellular trypsin activation and vacuole formation in the apical granular pole. Both of these processes are mediated by an abnormal sustained rise in [Ca2+]i.

Does the granular matter?

Granular materials, such as sand, gravel, powders, and pharmaceutical pills, are large aggregates of macroscopic, individually solid particles, or “grains.” Far from being simple materials with simple properties, they display an astounding range of complex behavior that defies their categorization as solid, liquid, or gas. Just consider how sand can stream through the orifice of an hourglass yet support one's weight on the beach; how it can form patterns strikingly similar to a liquid when vibrated, yet respond to stirring by “unmixing” of large and small grains. Despite much effort, there still is no comprehensive understanding of other forms of matter, like ordinary fluids or solids. In what way, therefore, is granular matter special, and what makes it so difficult to understand? An emerging interdisciplinary approach to answering these questions focuses directly on the material's discontinuous granular nature.

Electroadsorption of arsenic from natural water in granular activated carbon

The adsorption and electroadsorption of arsenic from a natural water has been studied in a filter-press electrochemical cell using a commercial granular activated carbon as adsorbent and Pt/Ti and graphite as electrodes. A significant reduction of the arsenic concentration is achieved when current is imposed between the electrodes, especially when the activated carbon was located in the vicinity of the anode. This enhancement can be explained in terms of the presence of electrostatic interactions between the polarized carbon surface and the arsenic ions, and changes in the distribution of most stable species of arsenic in solution due to As(III) to As(V) oxidation. In summary, electrochemical adsorption on a filter-press cell can be used for enhancement the arsenic remediation with activated carbon in the treatment of a real groundwater.

Numerical and experimental investigation of structural stiffness influence on ratcheting convection cell in granular soils under cyclic loading

Lateral cyclic loaded structures in granular soils can lead to an accumulation of irreversible strains by changing their mechanical response (densification) and forming a closed convective cell in the upper layer of the bedding. In the present thesis the convective cell dimension, formation and grain migration inside this closed volume have been studied and presented in relation to structural stiffness and different loads. This relation was experimentally investigated by applying a cyclic lateral force to a scaled flexible vertical element embedded in dry granular soil. The model was monitored with a camera in order to derive the displacement field by means of the PIV technique. Modelling large soil deformation turns out to be difficult, using mesh-based methods. Consequently, a mesh-free approach (DEM) was chosen in order to investigate the granular flow with the aim of extracting interesting micromechanical information. In both the numerical and experimental analyses the effect of different loading magnitudes and different dimensions of the vertical element were considered. The main results regarded the different development, shape and dimensions of the convection cell and the surface settlements. Moreover, the Discrete Element Method has proven to give satisfactory results in the modelling of large deformation phenomena such as the ratcheting convective cell.