Studies on some new Schiff base complexes of ruthenium and neodymium

In the present study an attempt has been made to synthesize some simple complexes of multidentate ligands. Analogous zeolite encapsulated complexes were also synthesized and characterized. Immobilization on to polymer supports through covalent attachment is expected to solve the problem of decomposition of many complexes during catalytic reaction. Hence the work is also extended to the synthesis and characterization of some polymer supported complexes of Schiff base Iigands. All the three types of synthesized complexes, simple, zeolite encapsulated and polystyrene anchored, were subjected to catalytic activity study towards catechol-oxidation reaction. A selected group of complexes were also screened for their catalytic activity towards phenol-oxidation reaction. Biological screening of the synthesized ligands and neat complexes were done with a view to establish the effect of complexation on biological systems.

Extent and limitations of density functional theory in describing magnetic systems

The performance of density-functional theory to solve the exact, nonrelativistic, many-electron problem for magnetic systems has been explored in a new implementation imposing space and spin symmetry constraints, as in ab initio wave function theory. Calculations on selected systems representative of organic diradicals, molecular magnets and antiferromagnetic solids carried out with and without these constraints lead to contradictory results, which provide numerical illustration on this usually obviated problem. It is concluded that the present exchange-correlation functionals provide reasonable numerical results although for the wrong physical reasons, thus evidencing the need for continued search for more accurate expressions.

Some Lattice Problems In Fuzzy Set Theory And Fuzzy Topology

It is believed that every fuzzy generalization should be formulated in such a way that it contain the ordinary set theoretic notion as a special case. Therefore the definition of fuzzy topology in the line of C.L.CHANG E9] with an arbitrary complete and distributive lattice as the membership set is taken. Almost all the results proved and presented in this thesis can, in a sense, be called generalizations of corresponding results in ordinary set theory and set topology. However the tools and the methods have to be in many of the cases, new. Here an attempt is made to solve the problem of complementation in the lattice of fuzzy topologies on a set. It is proved that in general, the lattice of fuzzy topologies is not complemented. Complements of some fuzzy topologies are found out. It is observed that (L,X) is not uniquely complemented. However, a complete analysis of the problem of complementation in the lattice of fuzzy topologies is yet to be found out

Superheavy nuclei in relativistic effective Lagrangian model

Isotopic and isotonic chains of superheavy nuclei are analyzed to search for spherical double shell closures beyond Z=82 and N=126 within the new effective field theory model of Furnstahl, Serot, and Tang for the relativistic nuclear many-body problem. We take into account several indicators to identify the occurrence of possible shell closures, such as two-nucleon separation energies, two-nucleon shell gaps, average pairing gaps, and the shell correction energy. The effective Lagrangian model predicts N=172 and Z=120 and N=258 and Z=120 as spherical doubly magic superheavy nuclei, whereas N=184 and Z=114 show some magic character depending on the parameter set. The magicity of a particular neutron (proton) number in the analyzed mass region is found to depend on the number of protons (neutrons) present in the nucleus.

Attribute reduction and missing value imputing with ANN: prediction of learning disabilities

Learning disability (LD) is a neurological condition that affects a child’s brain and impairs his ability to carry out one or many specific tasks. LD affects about 10% of children enrolled in schools. There is no cure for learning disabilities and they are lifelong. The problems of children with specific learning disabilities have been a cause of concern to parents and teachers for some time. Just as there are many different types of LDs, there are a variety of tests that may be done to pinpoint the problem The information gained from an evaluation is crucial for finding out how the parents and the school authorities can provide the best possible learning environment for child. This paper proposes a new approach in artificial neural network (ANN) for identifying LD in children at early stages so as to solve the problems faced by them and to get the benefits to the students, their parents and school authorities. In this study, we propose a closest fit algorithm data preprocessing with ANN classification to handle missing attribute values. This algorithm imputes the missing values in the preprocessing stage. Ignoring of missing attribute values is a common trend in all classifying algorithms. But, in this paper, we use an algorithm in a systematic approach for classification, which gives a satisfactory result in the prediction of LD. It acts as a tool for predicting the LD accurately, and good information of the child is made available to the concerned

Performance of hybrid rebars as longitudinal reinforcement in normal strength concrete

A/though steel is most commonly used as a reinforcing material in concrete due to its competitive cost and favorable mechanical properties, the problem of corrosion of steel rebars leads to a reduction in life span of the structure and adds to maintenance costs. Many techniques have been developed in recent past to reduce corrosion (galvanizing, epoxy coating, etc.) but none of the solutions seem to be viable as an adequate solution to the corrosion problem. Apart from the use of fiber reinforced polymer (FRP) rebars, hybrid rebars consisting of both FRP and steel are also being tried to overcome the problem of steel corrosion. This paper evaluates the performance of hybrid rebars as longitudinal reinforcement in normal strength concrete beams. Hybrid rebars used in this study essentially consist of glass fiber reinforced polymer (GFRP) strands of 2 mm diameter wound helically on a mild steel core of 6 mm diameter. GFRP stirrups have been used as shear reinforcement. An attempt has been made to evaluate the flexural and shear performance of beams having hybrid rebars in normal strength concrete with and without polypropylene fibers added to the concrete matrix

Soft Computing Approach for Optimization of siRNA Efficiency Prediction for Post-transcriptional Gene Silencing

Post-transcriptional gene silencing by RNA interference is mediated by small interfering RNA called siRNA. This gene silencing mechanism can be exploited therapeutically to a wide variety of disease-associated targets, especially in AIDS, neurodegenerative diseases, cholesterol and cancer on mice with the hope of extending these approaches to treat humans. Over the recent past, a significant amount of work has been undertaken to understand the gene silencing mediated by exogenous siRNA. The design of efficient exogenous siRNA sequences is challenging because of many issues related to siRNA. While designing efficient siRNA, target mRNAs must be selected such that their corresponding siRNAs are likely to be efficient against that target and unlikely to accidentally silence other transcripts due to sequence similarity. So before doing gene silencing by siRNAs, it is essential to analyze their off-target effects in addition to their inhibition efficiency against a particular target. Hence designing exogenous siRNA with good knock-down efficiency and target specificity is an area of concern to be addressed. Some methods have been developed already by considering both inhibition efficiency and off-target possibility of siRNA against agene. Out of these methods, only a few have achieved good inhibition efficiency, specificity and sensitivity. The main focus of this thesis is to develop computational methods to optimize the efficiency of siRNA in terms of “inhibition capacity and off-target possibility” against target mRNAs with improved efficacy, which may be useful in the area of gene silencing and drug design for tumor development. This study aims to investigate the currently available siRNA prediction approaches and to devise a better computational approach to tackle the problem of siRNA efficacy by inhibition capacity and off-target possibility. The strength and limitations of the available approaches are investigated and taken into consideration for making improved solution. Thus the approaches proposed in this study extend some of the good scoring previous state of the art techniques by incorporating machine learning and statistical approaches and thermodynamic features like whole stacking energy to improve the prediction accuracy, inhibition efficiency, sensitivity and specificity. Here, we propose one Support Vector Machine (SVM) model, and two Artificial Neural Network (ANN) models for siRNA efficiency prediction. In SVM model, the classification property is used to classify whether the siRNA is efficient or inefficient in silencing a target gene. The first ANNmodel, named siRNA Designer, is used for optimizing the inhibition efficiency of siRNA against target genes. The second ANN model, named Optimized siRNA Designer, OpsiD, produces efficient siRNAs with high inhibition efficiency to degrade target genes with improved sensitivity-specificity, and identifies the off-target knockdown possibility of siRNA against non-target genes. The models are trained and tested against a large data set of siRNA sequences. The validations are conducted using Pearson Correlation Coefficient, Mathews Correlation Coefficient, Receiver Operating Characteristic analysis, Accuracy of prediction, Sensitivity and Specificity. It is found that the approach, OpsiD, is capable of predicting the inhibition capacity of siRNA against a target mRNA with improved results over the state of the art techniques. Also we are able to understand the influence of whole stacking energy on efficiency of siRNA. The model is further improved by including the ability to identify the “off-target possibility” of predicted siRNA on non-target genes. Thus the proposed model, OpsiD, can predict optimized siRNA by considering both “inhibition efficiency on target genes and off-target possibility on non-target genes”, with improved inhibition efficiency, specificity and sensitivity. Since we have taken efforts to optimize the siRNA efficacy in terms of “inhibition efficiency and offtarget possibility”, we hope that the risk of “off-target effect” while doing gene silencing in various bioinformatics fields can be overcome to a great extent. These findings may provide new insights into cancer diagnosis, prognosis and therapy by gene silencing. The approach may be found useful for designing exogenous siRNA for therapeutic applications and gene silencing techniques in different areas of bioinformatics.

The empirical study of the price mechanism in the Chinese housing market

In China, the history of the establishment of the private housing market is pretty short. Actually in less then two decades, the market has grown from almost the scratch to playing an important role in the economy. A great achievement! But many problems also exist. They need to be properly addressed and solved. Price problem---simply put, housing price is too high--- is one of them, and this paper is focused on it. Three basic questions are posed, i.e. (1) how to judge the housing affordability? (2) why the housing price is so high? (3) how to solve the housing price problem. The paper pays particular attention to answering the second question. Except the numerous news reports and surveys show that most of the ordinary city dwellers complained about the high housing price, the mathematical means, the four ratios, are applied to judge the housing affordability in Shanghai and Shenzhen. The results are very clear that the price problem is severe. So why? Something is wrong with the price mechanism. This research shows that mainly these five factors contribute to the price problem: the housing reform, the housing development model, the unbalanced housing market, the housing project financing and the poor governmental management. Finally the paper puts forward five suggestions to solve the housing price problem in first-hand private Chinese housing market. They include: the establishment of real estate information system, the creation of specific price management department, the government price regulation, the property tax and the legalization of "cushion money".

Adsorption of element 112 on a Au surface

Während der letzten 20 Jahre hat sich das Periodensystem bis zu den Elementen 114 und 116 erweitert. Diese sind kernphysikalisch nachgewiesen, so dass jetzt die chemische Untersuchung an erster Selle steht. Nachdem sich das Periodensystem bis zum Element 108 so verhält, wie man es dem Periodensystem nach annimmt, wird in dieser Arbeit die Chemie des Elements 112 untersucht. Dabei geht es um die Adsorptionsenergie auf einer Gold-Ober fläche, weil dies der physikalisch/chemische Prozess ist, der bei der Analyse angewandt wird. Die Methode, die in dieser Arbeit angwandt wird, ist die relativistische Dichtefunktionalmethode. Im ersten Teil wird das Vielkörperproblem in allgemeiner Form behandelt, und im zweiten die grundlegenden Eigenschaften und Formulierungen der Dichtefunktionaltheorie. Die Arbeit beschreibt zwei prinzipiell unterschiedliche Ansätze, wie die Adsorptionsenergie berechnet werden kann. Zum einen ist es die sogenannte Clustermethode, bei der ein Atom auf ein relativ kleines Cluster aufgebracht und dessen Adsorptionsenergie berechnet wird. Wenn es gelingt, die Konvergenz mit der Größe des Clusters zu erreichen, sollte dies zu einem Wert für die Adsorptionsenergie führen. Leider zeigt sich in den Rechnungen, dass aufgrund des zeitlichen Aufwandes die Konvergenz für die Clusterrechnungen nicht erreicht wird. Es werden sehr ausführlich die drei verschiedenen Adsorptionsplätze, die Top-, die Brücken- und die Muldenposition, berechnet. Sehr viel mehr Erfolg erzielt man mit der Einbettungsmethode, bei der ein kleiner Cluster von vielen weiteren Atomen an den Positionen, die sie im Festkörpers auf die Adsorptionsenergie soweit sichergestellt ist, dass physikalisch-chemisch gute Ergebnisse erzielt werden. Alle hier gennanten Rechnungen sowohl mit der Cluster- wie mit der Einbettungsmethode verlangen sehr, sehr lange Rechenzeiten, die, wie oben bereits erwähnt, nicht zu einer Konvergenz für die Clusterrechnungen ausreichten. In der Arbeit wird bei allen Rechnungen sehr detailliert auf die Abhängigkeit von den möglichen Basissätzen eingegangen, die ebenfalls in entscheidender Weise zur Länge und Qualität der Rechnungen beitragen. Die auskonvergierten Rechnungen werden in der Form von Potentialkurven, Density of States (DOS), Overlap Populations sowie Partial Crystal Overlap Populations analysiert. Im Ergebnis zeigt sich, dass die Adsoptionsenergie für das Element 112 auf einer Goldoberfläche ca. 0.2 eV niedriger ist als die Adsorption von Quecksilber auf der gleichen Ober fläche. Mit diesem Ergebnis haben die experimentellen Kernchemiker einen Wert an der Hand, mit dem sie eine Anhaltspunkt haben, wo sie bei den Messungen die wenigen zu erwartenden Ereignisse finden können.

"Schwarzer Untertan versus schwarzer Bruder". Bernhard Dernburgs Reformen in den Kolonien Deutsch-Ostafrika, Deutsch-Südwestafrika, Togo und Kamerun

Nachdem sich in der Kolonialkrise von 1906 das Scheitern der ersten Periode deutscher Kolonialherrschaft (1885-1906) offenbarte, wurde Bernhard Dernburg die grundlegende Reorganisation der Kolonialpolitik anvertraut. Als Mann aus der Welt der Banken und Finanzen sollte er die stagnierende Entwicklung der Kolonien mit Hilfe von administrativen und wirtschaftlichen Reformmaßnahmen vorantreiben und gleichzeitig der indigenen Bevölkerung eine humane Behandlung zu garantieren. Um diese Ziele zu erreichen, verabschiedete er Reformen, die eine Rationalisierung und Humanisierung der Arbeiterpolitik vorsahen. Sowohl in der zeitgenössischen Literatur als auch in der aktuellen wissenschaftlichen Forschung wird der Amtsantritt Bernhard Dernburgs zum Leiter der Kolonialabteilung im Jahre 1906 als der „Beginn einer neuen humanen Ära“ deutscher Kolonialpolitik oder als „Wandel zum Besseren“ bezeichnet. Die Dissertation „Schwarzer Untertan versus Schwarzer Bruder. Bernhard Dernburgs Reformen in den Kolonien Deutsch-Ostafrika, Deutsch-Südwestafrika, Togo und Kamerun“ untersucht die Intention, Akzeptanz, Umsetzung und Auswirkung der reformatorischen Eingeborenenpolitik und klärt, ob die Beurteilung der Ära Dernburg (1906-1910) in der zeitgenössischen und aktuellen Forschung eine Berechtigung hat. Obwohl zumindest in der Theorie sein Konzept einer rationalen und humanen Kolonialpolitik sicherlich eine Abkehr von der bisher betriebenen Kolonialpolitik bedeutete, zeigt sich jedoch bei der Umsetzung der Reformen eine deutliche Diskrepanz zwischen Intention und Realität. Auch wenn zumindest die Bestrebung Dernburgs zur Verrechtlichung der indigenen Arbeitsverhältnisse gewürdigt werden sollte, so muss doch konstatiert werden, dass es in der „Ära Dernburg“ definitiv nicht zu einer grundlegenden Verbesserung der indigenen Lebenssituation in den deutschen Kolonien kam. Im Gegenteil, die Dernburgsche Reformpolitik beschleunigte vielmehr den Verelendungsprozess der indigenen Bevölkerung. In allen afrikanischen Kolonien verschlechterten sich mit der Intensivierung der Verwaltung die sozialen und menschlichen Beziehungen zwischen Afrikanern und Europäern. Vieles von dem, was Dernburg in seinem Programm propagierte, konnte nicht erreicht werden. Zwar führte Dernburg in Deutsch-Ostafrika, Deutsch-Südwestafrika und in Kamerun eine rechtlich bindende Arbeiterverordnung ein, jedoch unterschieden sich die Bestimmungen zum Teil erheblich voneinander, so dass von einer einheitlichen Modernisierung des kolonialen Arbeitsrechts nicht die Rede sein kann. Viele arbeitsrechtliche Bereiche, wie z.B. die Arbeiteranwerbung, Lohnzahlung, Minderjährigenschutz, Vertragsdauer, Arbeitszeit, Verpflegung und Unterkunft wurden nur unzureichend geregelt. Ähnlich negativ muss auch die Reformierung der Strafrechtspflege bewertet werden. Die Kodifizierung eines Eingeborenenstrafrechts scheiterte sowohl am Widerstand der lokalen Verwaltung als auch am Grundkonsens der Rechtmäßigkeit einer Rassenjustiz. Kolonialpolitik war auch in der „Ära Dernburg“ nichts anderes als „rohe Ausbeutungspolitik“, die zur Lösung der Arbeiterfrage beitragen sollte. Aber gerade hier, bei der Mobilisierung von afrikanischen Lohnarbeitern, war der Kolonialstaatssekretär nicht etwa mit einer „Arbeiterfürsorgepolitik“, sondern mit der Fortführung der Enteignungs- und Zwangsmaßnahmen erfolgreich gewesen. Insgesamt ist ein deutlicher Anstieg an afrikanischen Arbeitern in europäischen Unternehmen zu verzeichnen, was darauf schließen lässt, dass Dernburgs Verordnungen einen günstigen Einfluss auf die Arbeiterfrage ausgeübt haben. Obwohl nicht von einem grundlegenden Neuanfang der Kolonialpolitik gesprochen werden kann, sollte ebenso wenig bezweifelt werden, dass sich die deutsche Kolonialpolitik nicht unter Dernburg veränderte. Größere indigene Aufstände und Unruhen blieben aus, so dass während seiner Amtszeit eine systematische wirtschaftliche Erschließung der Kolonien beginnen konnte.

Using Recurrent Networks for Dimensionality Reduction

This report explores how recurrent neural networks can be exploited for learning high-dimensional mappings. Since recurrent networks are as powerful as Turing machines, an interesting question is how recurrent networks can be used to simplify the problem of learning from examples. The main problem with learning high-dimensional functions is the curse of dimensionality which roughly states that the number of examples needed to learn a function increases exponentially with input dimension. This thesis proposes a way of avoiding this problem by using a recurrent network to decompose a high-dimensional function into many lower dimensional functions connected in a feedback loop.

Perceptually-based Comparison of Image Similarity Metrics

The image comparison operation ??sessing how well one image matches another ??rms a critical component of many image analysis systems and models of human visual processing. Two norms used commonly for this purpose are L1 and L2, which are specific instances of the Minkowski metric. However, there is often not a principled reason for selecting one norm over the other. One way to address this problem is by examining whether one metric better captures the perceptual notion of image similarity than the other. With this goal, we examined perceptual preferences for images retrieved on the basis of the L1 versus the L2 norm. These images were either small fragments without recognizable content, or larger patterns with recognizable content created via vector quantization. In both conditions the subjects showed a consistent preference for images matched using the L1 metric. These results suggest that, in the domain of natural images of the kind we have used, the L1 metric may better capture human notions of image similarity.

Clustering compositional data trajectories

Our essay aims at studying suitable statistical methods for the clustering of compositional data in situations where observations are constituted by trajectories of compositional data, that is, by sequences of composition measurements along a domain. Observed trajectories are known as “functional data” and several methods have been proposed for their analysis. In particular, methods for clustering functional data, known as Functional Cluster Analysis (FCA), have been applied by practitioners and scientists in many fields. To our knowledge, FCA techniques have not been extended to cope with the problem of clustering compositional data trajectories. In order to extend FCA techniques to the analysis of compositional data, FCA clustering techniques have to be adapted by using a suitable compositional algebra. The present work centres on the following question: given a sample of compositional data trajectories, how can we formulate a segmentation procedure giving homogeneous classes? To address this problem we follow the steps described below. First of all we adapt the well-known spline smoothing techniques in order to cope with the smoothing of compositional data trajectories. In fact, an observed curve can be thought of as the sum of a smooth part plus some noise due to measurement errors. Spline smoothing techniques are used to isolate the smooth part of the trajectory: clustering algorithms are then applied to these smooth curves. The second step consists in building suitable metrics for measuring the dissimilarity between trajectories: we propose a metric that accounts for difference in both shape and level, and a metric accounting for differences in shape only. A simulation study is performed in order to evaluate the proposed methodologies, using both hierarchical and partitional clustering algorithm. The quality of the obtained results is assessed by means of several indices

Crimen organizado y seguridad internacional : reflexiones acerca de la Mafia Siciliana desde 1980

El Crimen Organizado se ha convertido en uno de los temas principales en materia de Seguridad Internacional en la medida en que el proceso de globalización que impulsa la interacción entre lo local y lo global, le ha permitido aprovecharse y lucrarse, interfiriendo principalmente en la seguridad económica y política de algunos Estados. La Mafia Siciliana como exponente del Crimen Organizado, es el caso de estudio que permite conocer a través de sus características, evolución y comportamiento, cómo a lo largo de la historia ha tenido influencia en diferentes ámbitos de algunos Estados. Detectar esta amenaza criminal, ha generado una reacción por parte de los Estados, la cual ha permitido que se creen instrumentos jurídicos que contrarresten el problema. Sin embargo, nuevas amenazas identificadas como el terrorismo, han desplazado la concentración que se tenía sobre el Crimen Organizado y ha permitido que organizaciones criminales como la Mafia Siciliana se fortalezca y opere desde la ilegalidad dentro la legalidad.

Anfibios Culturales y Sistemas de Regulación Ley, Moral y Cultura en la producción audiovisual colombiana Estudio de caso: Sin Tetas no hay Paraíso

La Teoría de la Acción Humana desarrollada por Antanas Mockus, parte del principio de que la acción humana es multimotivada y multiregulada. Entre las multiples regulaciones se encuentran los Sistemas de Regulación Social Ley, Moral y Cultura quienes en cierta medida explican el accionar y la interacción social. No obstante dado que la sociedad contemporánea se caracteriza por ubicarse en un contexto intercultural de contactos y fricciones permanentes, entre distintas perspectivas culturales en distintos grados de hibridación, el divorcio entre los sistemas regulatorios parece inevitable. Entendiendo al Espacio Público habermasiano ya no reservado únicamente a los actores institucionales, sino a la sociedad civil y los medios masivos. Es en este nuevo espacio deliberativo donde el Anfibio Cultural se desenvuelve a fin de resolver la problemática del divorcio entre los sistemas regulatorios. El anfibio valiéndose de sus herramientas camaleónicas y traductoras buscará por vías dialógicas la reducción así sea parcial, a mínimos aceptables de discusión e interrelación cultural. La imagen articulada a un mecanismo cultural por un lado reconstruye realidades pero por el otro alimenta el ciclo de producción y aceptación de imaginarios colectivos. De esta manera la presente investigación propone evidenciar los conceptos de Mockus en el desarrollo de una producción audiovisual, así como también realiza un aporte conceptual a la teoría al incluir la Dialéctica del Reconocimiento como una herramienta eficaz a la hora de buscar generar acuerdos. La presente investigación propone evidenciar cómo a partir del análisis de una producción audiovisual se promueven valores, cultural, ideas y costumbres que incentivan tanto el divorcio como la armonización entre los sistemas regulatorios.