Relativistic molecular calculations of superheavy molecules

Relativistic molecular calculations within the Dirac-Slater scheme have been used in a study of the electronic structure of 6d-metal superheavy hexafluorides. The theoretical results are compared with calculations and measurements of the homolog 4d- and 5d-metal hexafluorides. Large spin-orbit splitting dominates the electronic structure and even has the same order of magnitude as the crystal-field splitting for the valence electrons for the superheavy molecules. Ionization energies have been calculated using a transition state procedure.

Networked Life: Module CIS 112, University of Pennsylvania, Spring 2008

What kind of science is appropriate for understanding the Facebook? How does Google find what you're looking for... ...and exactly how do they make money doing so? What structural properties might we expect any social network to have? How does your position in an economic network (dis)advantage you? How are individual and collective behavior related in complex networks? What might we mean by the economics of spam? What do game theory and the Paris subway have to do with Internet routing? What's going on in the pictures to the left and right? Networked Life looks at how our world is connected -- socially, economically, strategically and technologically -- and why it matters. The answers to the questions above are related. They have been the subject of a fascinating intersection of disciplines including computer science, physics, psychology, mathematics, economics and finance. Researchers from these areas all strive to quantify and explain the growing complexity and connectivity of the world around us, and they have begun to develop a rich new science along the way. Networked Life will explore recent scientific efforts to explain social, economic and technological structures -- and the way these structures interact -- on many different scales, from the behavior of individuals or small groups to that of complex networks such as the Internet and the global economy. This course covers computer science topics and other material that is mathematical, but all material will be presented in a way that is accessible to an educated audience with or without a strong technical background. The course is open to all majors and all levels, and is taught accordingly. There will be ample opportunities for those of a quantitative bent to dig deeper into the topics we examine. The majority of the course is grounded in scientific and mathematical findings of the past two decades or less.

Self-organized sociopolitical interactions as the best way to achieve organized patterns in human social systems: going beyond the top-down control of classical political regimes

La monografía presenta la auto-organización sociopolítica como la mejor manera de lograr patrones organizados en los sistemas sociales humanos, dada su naturaleza compleja y la imposibilidad de las tareas computacionales de los regímenes políticos clásico, debido a que operan con control jerárquico, el cual ha demostrado no ser óptimo en la producción de orden en los sistemas sociales humanos. En la monografía se extrapola la teoría de la auto-organización en los sistemas biológicos a las dinámicas sociopolíticas humanas, buscando maneras óptimas de organizarlas, y se afirma que redes complejas anárquicas son la estructura emergente de la auto-organización sociopolítica.

The Agendas of The Stream

The new tech has introduced the traits of the hypermedia, interactivity and convergence in the journalism field. Moreover, it has involved the emergence of new media and changes in the informative contents. In 2006 Al Jazeera in English was created for covering the underreported regions, inasmuch as new media arise, new contents do so, thus, the research examines the agendas of The Stream, the TV show from Al Jazeera that relies heavily on social networks.

Definition of an it project portfolio management methodology for a pharmaceutical company

Con la creciente popularidad de las soluciones de IT como factor clave para aumentar la competitividad y la creación de valor para las empresas, la necesidad de invertir en proyectos de IT se incrementa considerablemente. La limitación de los recursos como un obstáculo para invertir ha obligado a las empresas a buscar metodologías para seleccionar y priorizar proyectos, asegurándose de que las decisiones que se toman son aquellas que van alineadas con las estrategias corporativas para asegurar la creación de valor y la maximización de los beneficios. Esta tesis proporciona los fundamentos para la implementación del Portafolio de dirección de Proyectos de IT (IT PPM) como una metodología eficaz para la gestión de proyectos basados en IT, y una herramienta para proporcionar criterios claros para los directores ejecutivos para la toma de decisiones. El documento proporciona la información acerca de cómo implementar el IT PPM en siete pasos, el análisis de los procesos y las funciones necesarias para su ejecución exitosa. Además, proporciona diferentes métodos y criterios para la selección y priorización de proyectos. Después de la parte teórica donde se describe el IT PPM, la tesis aporta un análisis del estudio de caso de una empresa farmacéutica. La empresa ya cuenta con un departamento de gestión de proyectos, pero se encontró la necesidad de implementar el IT PPM debido a su amplia cobertura de procesos End-to-End en Proyectos de IT, y la manera de asegurar la maximización de los beneficios. Con la investigación teórica y el análisis del estudio de caso, la tesis concluye con una definición práctica de un modelo aproximado IT PPM como una recomendación para su implementación en el Departamento de Gestión de Proyectos.

The political influence of the kurdish community in Syria and its possible transboundary Effects in the subregion of the Middle East, during the period 2011-2014

El interés de esta monografía es analizar las interacciones no-lineales con resultados emergentes que mantuvo la comunidad kurda en Siria, durante el periodo 2011-2014, y por las cuales se produjeron formas de auto-organización como resultado de la estructura compleja a la que pertenece. De esta forma, se explica cómo a raíz de la crisis política siria y los enfrentamientos con el Estado Islámico, se transformó el rol de los kurdos en Siria y se influenciaron las estructuras políticas del país y las naciones de la región con población kurda. Por lo tanto, esta investigación se propone analizar este fenómeno a través del enfoque de complejidad en Relaciones Internacionales y el concepto de Auto-Organización. A partir de ello, se indaga sobre las interacciones surgidas en estructuras más pequeñas, que habrían afectado un sistema mayor; estableciendo nuevas formas de organización que no pueden ser explicadas, únicamente, a partir de elementos causales.

Synthesis of unusual alpha-amino acids and study of the effect of their incorporation into antimicrobial peptides. Total synthesis of biactive marine natural products and analogues thereof

The principle theme of this thesis was the synthesis of bioactive compounds. To this end, this work was focus on two main projects. The first one, which was carried out in the Department of Chemistry of the University of Girona under the supervision of Dr Montserrat Heras, concerned the synthesis of new unnatural amino acids bearing a pyrimidine ring within their side chain for incorporation into the antimicrobial peptide BP100 following a rational design in order to improve its biological profile. On the other hand, the second chapter of this thesis was developed in collaboration with the Laboratoire de Chimie Organique (ESPCI-ParisTech, Paris, France) under the guidance of Pr Janine Cossy and Dr Arseniyadis. This chapter was centered on the total synthesis of three marine natural products with complex structures and interesting biological activities: acremolide B, (–) bitungolide F and lyngbouilloside.

A cross-calibration of chlorine isotopic measurements and suitability of seawater as the international reference material

A collection of 24 seawaters from various worldwide locations and differing depth was culled to measure their chlorine isotopic composition (delta(37)Cl). These samples cover all the oceans and large seas: Atlantic, Pacific, Indian and Antarctic oceans, Mediterranean and Red seas. This collection includes nine seawaters from three depth profiles down to 4560 mbsl. The standard deviation (2sigma) of the delta(37)Cl of this collection is +/-0.08 parts per thousand, which is in fact as large as our precision of measurement ( +/- 0.10 parts per thousand). Thus, within error, oceanic waters seem to be an homogeneous reservoir. According to our results, any seawater could be representative of Standard Mean Ocean Chloride (SMOC) and could be used as a reference standard. An extended international cross-calibration over a large range of delta(37)Cl has been completed. For this purpose, geological fluid samples of various chemical compositions and a manufactured CH3Cl gas sample, with delta(37)Cl from about -6 parts per thousand to +6 parts per thousand have been compared. Data were collected by gas source isotope ratio mass spectrometry (IRMS) at the Paris, Reading and Utrecht laboratories and by thermal ionization mass spectrometry (TIMS) at the Leeds laboratory. Comparison of IRMS values over the range -5.3 parts per thousand to +1.4 parts per thousand plots on the Y=X line, showing a very good agreement between the three laboratories. On 11 samples, the trend line between Paris and Reading Universities is: delta(37)Cl(Reading)= (1.007 +/- 0.009)delta(37)Cl(Paris) - (0.040 +/- 0.025), with a correlation coefficient: R-2 = 0.999. TIMS values from Leeds University have been compared to IRMS values from Paris University over the range -3.0 parts per thousand to +6.0 parts per thousand. On six samples, the agreement between these two laboratories, using different techniques is good: delta(37)Cl(Leeds)=(1.052 +/- 0.038)delta(37)Cl(Paris) + (0.058 +/- 0.099), with a correlation coefficient: R-2 = 0.995. The present study completes a previous cross-calibration between the Leeds and Reading laboratories to compare TIMS and IRMS results (Anal. Chem. 72 (2000) 2261). Both studies allow a comparison of IRMS and TIMS techniques between delta(37)Cl values from -4.4 parts per thousand to +6.0 parts per thousand and show a good agreement: delta(37)Cl(TIMS)=(1.039 +/- 0.023)delta(37)Cl(IRMS)+(0.059 +/- 0.056), with a correlation coefficient: R-2 = 0.996. Our study shows that, for fluid samples, if chlorine isotopic compositions are near 0 parts per thousand, their measurements either by IRMS or TIMS will give comparable results within less than +/- 0.10 parts per thousand, while for delta(37)Cl values as far as 10 parts per thousand (either positive or negative) from SMOC, both techniques will agree within less than +/- 0.30 parts per thousand. (C) 2004 Elsevier B.V. All rights reserved.

Analysis of red and yellow ochre samples from Clearwell Caves and Catalhoyuk by vibrational spectroscopy and other techniques

Ochre samples excavated from the neolithic site at Qatalhoyuk, Turkey have been compared with "native" ochres from Clearwell Caves, UK using infrared spectroscopy backed up by Raman spectroscopy, scanning electron microscopy (with energy-dispersive X-rays (EDX) analysis), powder X-ray diffraction, diffuse reflection UV-Vis and atomic absorption spectroscopies. For the Clearwell Caves ochres, which range in colour from yellow-orange to red-brown, it is shown that the colour is related to the nature of the chromophore present and not to any differences in particle size. The darker red ochres contain predominantly haematite while the yellow ochre contains only goethite. The ochres from Qatalhoyuk contain only about one-twentieth of the levels of iron found in the Clearwell Caves ochres. The iron oxide pigment (haematite in all cases studied here) has been mixed with a soft lime plaster which also contains calcite and silicate (clay) minerals. (C) 2003 Elsevier B.V. All rights reserved.

Innovative use of e-portfolio for personal development

iLearn is a quasi-Web 2.0 tool developed in Blackboard to help users with Personal Development Planning (PDP). This paper describes a case study on how the innovative use of mobile digital technology in iLearn e-Portfolio for developing reflective portfolios for PDP benefits the users, who are training to be professionals in construction management and surveying, The e-Portfolio tool benefits users as it enables them to create and share portfolios, record achievements and reflections that support future job applications and promotion. Users find it beneficial because they can make use of iLearn e-Portfolio to keep academic records and achievements, activities and interests, work experience, reflective practice, employer information and some other useful resources, and also to tailor their CV and covering letters including evidence to support their CV, transferable skills and selling points. Useful information for preparing for an interview, reflecting after an event and any thoughts and evaluation can be kept in iLearn e-Portfolio. Keeping assessment and feedback records in iLearn e-Portfolio enables learners to know their progress, to identify any gaps they need to fill to develop their study practices and areas for development. The key points from the feedback on the assignments and assessments are beneficial for future improvement. The reflections on the tasks and how they make use of the advice are particularly useful to improve their overall performance. In terms of pedagogical benefits, the “Individual Learner Profile” records and reviews evidence in verbal communication, basic and higher academic skills, time management, numeracy skill and IT skills, learners become increasingly aware of their own strengths and any weaker areas that may require development. The e-Portfolio also provides opportunity for them to reflect on the experience and skills they have gained whilst participating in activities outside their studies. As the iLearn e-Portfolio is a reflective practice tool, it is consistent with the principle of Schon's reflective practitioner to reframe problems and to explore the consequences of actions. From the users’ feedback, for those who engage regularly in iLearn, they are better able to set agendas for their supervision meetings and provide their supervisor with a unique record of their achievements, skills and attributes which help them writing effective references for them. They make the most of their learning experience in general. They also enhance their transferable skills and employability overall. The iLearn e-Portfolio prepares them for the workplace including continuing professional development. Users are aware of their transferable skills, evidence of the skills and skill level, including award or accreditation, and their personal reflection on their transferable skills. It is beneficial for them to be aware of their transferable skills, to produce evidence of the skills and skills level such as award and accreditation, and to record their personal reflection on their transferable skills. Finally, the innovative use of mobile digital technology in iLearn e-Portfolio for developing reflective portfolios for PDP will improve their employability.

Implications of Commons Act 2006 for the registration of land as a town or village green

This paper describes the main changes of Commons Act 2006 for the registration of land as a town or village green. The purpose of the Commons Act 2006 is to protect common land and promote sustainable farming, public access to the countryside and the interests of wildlife. The changes under s15 of the Commons Act 2006 include the additional 2-year grace period for application, discounting statutory period of closure, correction of mistakes in registers, disallowing severance of rights, voluntary registration, replacement of land in exchange and some other provisions. The transitional provision contained in s15(4) Commons Act 2006 is particularly a cause for controversy as DEFRA has indicated buildings will have to be taken down where development has gone ahead and a subsequent application to register the land as a green is successful, obliging the developer to return the land to a condition consistent with the exercise by locals of recreational rights, which sums up that it would be harder in future to develop land which has the potential to be registered as a town or village green.

Who owns the copyright of architectural works and designs?

Copyright protects the rights and interests of authors on their original works of authorship such as literary, dramatic, musical, artistic, and certain other intellectual works including architectural works and designs. It is automatic once a tangible medium of expression in any form of an innovative material, which conforms the Copyright Designs and Patents Act 1988 (CDPA 1988), is created. This includes the building, the architectural plans and drawings. There is no official copyright registry, no requirements on any fees need to be paid and they can be published or unpublished materials. Copyrights owners have the rights to control the reproduction, display, publication, and even derivation of the design. However, there are limitations on the rights of the copyright owners concerning copyrights infringements. Infringement of copyright is an unauthorised violation of the exclusive rights of the copyright author. Architects and engineers depend on copyright law to protect their works and design. Copyrights are protected on the arrangements of spaces and elements as well as the overall form of the architectural design. However, it does not cover the design of functional elements and standard features. Although copyright law provides automatic protection to all original architectural plans, the limitation is that copyright only protects the expression of ideas but not the ideas themselves. It can be argued that architectural drawings and design, including models are recognised categories of artistic works which are protected under the copyright law. This research investigates to what extent copyrights protect the rights and interests of the designers on architectural works and design.