Modeling an Aquifer: Numerical Solution to the Groundwater Flow Equation

We present a model of groundwater dynamics under stationary flow and governed by Darcy's Law of water motion through porous media, we apply it to study a 2D aquifer with water table of constant slope comprised of an homogeneous and isotropic media, the more realistic case of an homogeneous anisotropic soil is also considered. Taking into account some geophysical parameters we develop a computational routine, in the Finite Difference Method, that solves the resulting elliptic partial equation, both in a homogeneous isotropic and homogeneous anisotropic media. After calibration of the numerical model, this routine is used to begin a study of the Ayamonte-Huelva aquifer in Spain, a modest analysis of the system is given, we compute the average discharge vector as well as its root mean square as a first predictive approximation of the flux in this system, providing us a signal of the location of best exploitation; long term goal is to develop a complete computational tool for the analysis of groundwater dynamics.Comment: 13 pages and 12 figure

EPR of Compound I: An Illustrated Revision of the Theoretical Model

Compound I has been postulated to be the reactive species in many heme catalysts, which performs different chemistry and shows different properties in different enzymes. The aim of this review is to present a comprehensive model which has been successfully used to interpret the EPR spectra of various Compound I species. The theoretical approach established by seminal articles will be revisited and its ability to explain experimental results will be illustrated by simulating selected spectra from the literature. Compound I stores two oxidizing equivalents, one in the paramagnetic iron(IV)-oxo moiety, and another one as a free radical on the porphyrin ligand or an amino acid in the protein. To describe the interactions of the two paramagnetic species with each other and with their local environment, the spin Hamiltonian of the system is built step by step. The Fe(IV) center is described using a two-hole model. The effect of the crystal-field and spin–orbit coupling on the energy levels is calculated with this simple approach, which allows to obtain spin Hamiltonian parameters like zero-field splitting and effective g-values for the iron. The magnetic interaction between the Fe(IV) center and the free radical is considered and allowed to vary in sign (ferromagnetic to antiferromagnetic) and magnitude to interpret the EPR of Compound I species in different systems. Since orbital overlap is crucial for exchange interaction, special emphasis is made in obtaining the orientation of Fe semi-occupied orbitals by extending the counter-rotation concept, which relates the directions of magnetic, electronic, and molecular axes

Benchmarking the Variational Reduced Density Matrix Theory in the Doubly Occupied Configuration Interaction Space with Integrable Pairing Models

The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the seniority quantum number restricts the Hamiltonians to be based on the SU(2) algebra. Among them there is a whole family of exactly solvable Richardson-Gaudin pairing Hamiltonians. We benchmark the variational theory against two different exactly solvable models, the Richardson-Gaudin-Kitaev and the reduced BCS Hamiltonians. We obtain exact numerical results for the so-called PQGT N-representability conditions in both cases for systems that go from 10 to 100 particles. However, when random single-particle energies as appropriate for small superconducting grains are considered, the exactness is lost but still a high accuracy is obtained.Fil: Rubio García, A.. Instituto de Estructura de la Materia; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Alcoba, Diego Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Capuzzi, Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Dukelsky, J.. Consejo Superior de Investigaciones Científicas; España. Instituto de Estructura de la Materia; Españ

Desdibuixant un límit: mercat municipal a Sant Feliu de Llobregat

El projecte detecta dos límits naturals inconnexos pel teixit urbà de Sant Feliu de Llobregat. S'estudien els processos del lloc i es reconeix el passat agrari del municipi. El projecte desenvolupa una infraestructura ecològica capaç de restablir la connexió entre els límits naturals de Collserola i el Parc Agrari, establint un diàleg amb l'entorn urbà existent. Un programa de recorregut, per Recuperar, Repoblar i Renaturalitzar el centre d'un municipi. Un programa que faciliti el desenvolupament d'un model agroalimentari basat en la qualitat i la proximitat a través d’un mercat

Surface resonant modes in colloidal photonic crystals

Herein we report an experimental and theoretical optical analysis of the effect of growing a dielectric slab on the surface of photonic colloidal crystals. Optical spectroscopy shows an enhancement of the transmitted intensity for certain frequencies within the photonic pseudogap. Simulations based on a scalar wave approximation fairly reproduce the experimental results and provide a description of the interplay between the features arising from the presence of the surface slab and the finite size of the photonic crystal. The experimental observations are explained by the excitation of photon resonant states at the crystal boundary. Our work demonstrates that the amplitude of light waves penetrating the crystal with frequencies lying within the pseudogap range can be greatly modified by rather simple means

Situacions d'aula. Materials docents d'ús interdisciplinari

Presentem material de treball per a la formació del professorat d’Educació Infantil i Primària. Les situacions que presentem són les següents: I) «Hi ha boira al Grau de Castelló». L’Escriptura d’una notícia. ceip «La Marina». En aquesta situació, un grup de xiquets i xiquetes d’Educació Infantil, de 5 anys, amb la seua mestra, escriuen de manera col•lectiva una notícia (Durada de la tasca: 28 min.). II) «Pasamos lista». ceip «Lluís Vives». En aquesta situació, un grup de xiquets i xiquetes de 4 anys, junt amb la seua mestra, passen llista al començament de la classe per comprovar que els xiquets han anat a l’escola aquell dia (Durada de la tasca: 5 min. 30 s.) III) «El Caballo». Reelaboració del coneixement a partir d’un projecte de treball globalitzat. ceip «Lluís Vives». En aquesta situació, un grup de xiquets i xiquetes de 4 anys i la seua mestra tracten de recordar les activitats realitzades al llarg d’un projecte de treball globalitzat sobre «El Caballo» amb la finalitat de donar-les a conèixer als seus companys d’altres cursos i a altres persones. (Durada de la tasca: 27 min.) En cada situació mostrem la interacció oral i les activitats realitzades per la mestra i els xiquets, per a portar a terme la tasca que s’han proposat. La llengua utilitzada en les interaccions en l’aula (castellà o valencià) s’ha mantingut en la transcripció. Les transcripcions, obtingudes a partir de l’enregistrament en vídeo, divideixen el temps en episodis i seqüències. Cada episodi està constituït per un segment de transcripció que reflecteix una activitat central dins de la tasca, en relació amb el contingut d’ensenyament (per exemple, planificar o escriure una part del text, corregir el text escrit en la pissarra, passar llista, elegir el tema d’un projecte, etc.). Les seqüències representen unitats d’acció i/o temàtiques dins de l’episodi, i es troben aïllades en funció de la seua finalitat, per facilitar-ne la comprensió i l’anàlisi.We present working material for teacher training and Primary Education. The situations presented are: I) "There is fog in Grau de Castelló." Writing a story. CEIP "La Marina". In this situation, a group of boys and girls infant, 5 years old, with his teacher, so write a new collective bargaining • (task duration: 28 min.). II) "Pasamos list." ceip "Luis Vives". In this situation, a group of boys and girls 4 years, along with their teacher, go shopping at the beginning of the class to ensure that the children have gone to school that day (the task duration: 5 min. 30 s.). III) "El Caballo". Reworking of knowledge from a global project work. ceip "Luis Vives". In this situation, a group of boys and girls 4 years and their teacher trying to remember the activities carried out during a global project work on "El Caballo" to give them to know their fellow other courses and others. (Task duration: 27 min.) In each situation shows oral interaction and activities carried out by the teacher and the children, to carry out the tasks that have been proposed. The language used in the interactions in the classroom (Spanish or English) has been in the transcript. Transcripts obtained from recording video, divided into episodes and time sequences. Each episode consists of a segment of a transcript that reflects activity within the central task, in relation to the content of education (eg, plan and write some text, edit the text written on the blackboard, roll, choosing the theme of a project, etc.). The units represent sequences of action and / or themes in the episode, and are isolated based on their purpose, to facilitate understanding and analysis

Combination of X-ray crystallography, SAXS and DEER to obtain the structure of the FnIII-3,4 domains of integrin a6b4

Integrin alpha6beta4 is a major component of hemidesmosomes that mediate the stable anchorage of epithelial cells to the underlying basement membrane. Integrin alpha6beta4 has also been implicated in cell proliferation and migration and in carcinoma progression. The third and fourth fibronectin type III domains (FnIII-3,4) of integrin beta4 mediate binding to the hemidesmosomal proteins BPAG1e and BPAG2, and participate in signalling. Here, it is demonstrated that X-ray crystallography, small-angle X-ray scattering and double electron– electron resonance (DEER) complement each other to solve the structure of the FnIII-3,4 region. The crystal structures of the individual FnIII-3 and FnIII-4 domains were solved and the relative arrangement of the FnIII domains was elucidated by combining DEER with site-directed spin labelling. Multiple structures of the interdomain linker were modelled by Monte Carlo methods complying with DEER constraints, and the final structures were selected against experimental scattering data. FnIII-3,4 has a compact and cambered flat structure with an evolutionary conserved surface that is likely to correspond to a protein-interaction site. Finally, this hybrid method is of general application for the study of other macromolecules and complexes

Domain-wall dynamics in 4C pyrrhotite at low temperature

Monoclinic 4C pyrrhotite (Fe7S8) is ferrimagnetic due to an ordered defect structure with alternating vacancy and vacancy-free sublattices. Its low-temperature magnetic transition near 35 K is characterized by the distinct increase in coercivity and remanent magnetization. The increase of these parameters has been attributed to changes in the domain wall structure. We present static and dynamic magnetization data of a powder sample to study the domain-wall dynamics across the low-temperature transition. The amplitude-dependent ac susceptibility and the ferromagnetic resonance spectroscopy indicate that the hardening of the domain-wall pinning at the transition occurs simultaneously with the decrease in initial saturation remanent magnetization. These two effects are explained by the enhanced inhomogeneity of the bulk material caused by the persistency of the ordered vacancies and by newly formed defects due to localized distortion of Fe(II) sites in the vacancy-free sublattice. The generated localized defects are the link between the domain wall dynamics and the low-temperature transition in 4C pyrrhotit

Comparación de las escalas APACHE II y BISAP en el pronóstico de pancreatitis aguda en un hospital del Perú: Comparison of the APACHE II and BISAP scales in the prognosis of acute pancreatitis in a hospital of Peru

Introduction:  Acute pancreatitis continue to be a disease with significant morbidity and mortality. It is diagnosed by clinical criteria and the inflammatory process can lead to organ failure. The objective of the present study was to compare the scales of APACHE II and BISAP in the development of organic failure in acute pancreatitis from a public hospital of Perú. Pacients and methods: An analytical from validation of a diagnostic test. There were clinical records of patients who were hospitalized with the diagnosis of acute pancreatitis in the Internal Medicine service and the Intensive Care Unit were evaluated. The APACHE II and BISAP scales were applied and the ROC curve, the sensitivity, the specificity, the positive and negative predictive value was calculated for each one. SPSSv23 was used for statistical analysis. Results: Were reviewed 146 stories that met the inclusion criteria. An area under the curve of 0.957 was obtained for BISAP and 0.996 for APACHE II; with a sensitivity and specificity for APACHE II of 83% and  99%,  for BISAP of 66% and 99%. In addition, the positive and negative predictive value for APACHE II is 83% and 99% ,  for BISAP 80% and 98% . Conclusion: The APACHE II scale was superior for detecting organ failure. It was determined that both scales have high specificity, however the APACHE II scale presented a higher sensitivity than the BISAP scale.Introducción: La pancreatitis aguda continúa siendo una enfermedad con morbilidad y mortalidad significativas. Se diagnostica mediante criterios clínicos y el proceso inflamatorio puede llegar hasta una falla de órganos. El objetivo del presente estudio fue comparar las escalas de APACHE II y BISAP en el desarrollo de falla orgánica en pacientes con pancreatitis aguda de un hospital público del Perú. Pacientes y métodos: Se realizó un estudio de validación de prueba diagnóstica. Se evaluaron las historias clínicas de pacientes que estuvieron hospitalizados con el diagnostico de pancreatitis aguda en el servicio de Medicina Interna y la Unidad de Cuidados Intensivos. Se aplicó las escalas APACHE II y BISAP, se calculó la curva ROC, sensibilidad, especificidad, valor predictivo positivo y negativo. Para el análisis estadístico se utilizó el SPSSv23. Resultados: Se evaluaron 146 historias de pacientes que cumplían con los criterios de inclusión. Se obtuvo un área bajo la curva de 0.957 para BISAP y 0.996 para APACHE II; con una sensibilidad y especificidad para APACHE II de 83% y 99%,  para BISAP de 66% y 99%. El valor predictivo positivo y negativo para APACHE II es 83% and 99% y para BISAP 80% y 98%. Conclusiones: La escala de APACHE II fue superior para detectar falla de órganos. Se determinó que ambas escalas poseen alta especificidad, siendo mayor la sensibilidad en la escala BISAP

Unidad hospitalaria de patología dual grave: un año de experiencia

Se trata de un estudio observacional, descriptivo, transversal en el que se incluyeron los pacientes ingresados en la Unidad de Hospitalización del Programa de Patología Dual Grave (UHPPDG) durante un año. Los datos sociodemográficos, clínicos y farmacológicos se obtuvieron mediante hojas de recogida de datos diseñadas al efecto. El total de pacientes ingresados fue de 82 en cuyo perfil prevalecen los varones con una edad media de 36,7 años, derivados del subprograma ambulatorio del propio Programa de Patología Dual Grave (PPDG) y con ingreso de tipo involuntario. El diagnóstico psiquiátrico más frecuente fue el trastorno psicótico, especialmente la Esquizofrenia Paranoide. Las sustancias tóxicas más consumidas fueron: alcohol (33 %), cocaína (26 %) y el cannabis (20 %). Dentro de las técnicas psicoterápicas destaca la Terapia Psicoeducativa Motivacional Breve-Dual (TPMB-D), de formato grupal, en la que participaron alrededor de 2/3 de los pacientes. El grupo de fármacos más utilizados fueron los antipsicóticos (quetiapina [60%] y la risperidona inyectable de larga duración (RILD). En el grupo de pacientes con Dependencia/Abuso de Alcohol, los antipsicóticos más utilizados fueron la quetiapina y la tiaprida (43%). Los antidepresivos se utilizaron en el 37% de los casos, especialmente la duloxetina. En el grupo con Dependencia/ Abuso de Cocaína, la Esquizofrenia es el trastorno comórbido más prevalente (75%), y los antipsicóticos el grupo farmacológico más prescrito, en especial la RILD (91%). Entre los pacientes multi-dependientes la asociación más frecuente fue la Dependencia de Opiáceos y Cocaína (56%). El diagnóstico comórbido más frecuente en este grupo fue la Esquizofrenia