Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Indexación: Web of ScienceTheoretical reactivity indices based on the conceptual Density Functional Theory (DFT) have become a powerful tool for the semiquantitative study of organic reactivity. A large number of reactivity indices have been proposed in the literature. Herein, global quantities like the electronic chemical potential μ, the electrophilicity ω and the nucleophilicity N indices, and local condensed indices like the electrophilic and nucleophilic Parr functions, as the most relevant indices for the study of organic reactivity, are discussed.http://www.mdpi.com/1420-3049/21/6/74

La educación femenina en Roma : rompiendo tópicos

El estudio de la educación femenina en el mundo romano ha hecho correr ríos de tinta, intentando exprimir las fuentes, que se muestran parcas en referencias al sistema educativo en general. Sin embargo, este trabajo se ha visto marcado, en muchas ocasiones, por los tópicos referentes a la teoría de las esferas, la domesticidad femenina y una supuesta falta de agencia de las mujeres. Por el contrario, el acercamiento a las fuentes epigráficas, iconográficas, arqueológicas o a referencias que han pasado más o menos desapercibidas, permiten crear un marco mucho más complejo, en que las mujeres tenían acceso a la educación y podían llegar a ser consideradas una fuente de autoridad importante.The study of female education in the Roman world has poured out rivers of ink, trying to squeeze the sources, that have proven to be lacking in references to the educational system as a whole. Nonetheless, this work has been marked, in many occasions, by clichés referring to the separate spheres theory, female domesticity and an alleged lack of female agency. On the contrary, the approach to epigraphic, iconographic, archaeological sources, or to relatively unnoticed literary references, allow us to create a much more complex framework, in which women had access to education and could get to be considered a strong source of authority

Construction of a taxonomy for requirements engineering commercial-off-the-shelf components

This article presents a procedure for constructing a taxonomy of COTS products in the field of Requirements Engineering (RE). The taxonomy and the obtained information reach transcendental benefits to the selection of systems and tools that aid to RE-related actors to simplify and facilitate their work. This taxonomy is performed by means of a goal-oriented methodology inspired in GBRAM (Goal-Based Requirements Analysis Method), called GBTCM (Goal-Based Taxonomy Construction Method), that provides a guide to analyze sources of information and modeling requirements and domains, as well as gathering and organizing the knowledge in any segment of the COTS market. GBTCM claims to promote the use of standards and the reuse of requirements in order to support different processes of selection and integration of components.Peer ReviewedPostprint (published version

UN LOGRO COLECTIVO MUY AGRADABLE, PERO MUY DESAFIANTE.

Noticias como la publicación de un libro, la aprobación de un proyecto, la aprobación de una tesis doctoral, la renovación de un registro calificado, la certificación de alta calidad, entre otras que son propias del contexto académico, deleitan no sólo a sus autores sino a la comunidad académica de su entorno. En esta ocasión, se experimentó la satisfacción colectiva de recibir la noticia de la renovación de la Acreditación de Alta Calidad para el programa de Administración de Empresas de la Universidad Surcolombiana, una alegría para la Universidad, la Facultad y por supuesto para el Programa. Sin embargo, la grata noticia recuerda a todos el compromiso social de sostener y mejorar nuestras acciones, considerando el entorno interno y externo a la Universidad.     Al concebir la formación y la investigación académica a partir de las “intersolidaridades” que se han diagnosticado en el actual mundo, se entiende que los estudiantes necesitan aprender profesional y humanamente para su carrera y para su vida como ciudadano, participando en proyectos de desarrollo social (Vallaeys, 2016). Esto significa la necesidad de guiar las acciones en el marco de la responsabilidad social universitaria, por lo cual, los procesos para sostener la Acreditación de Alta Calidad de un programa académico son cada vez más exigentes porque requieren la capacidad institucional para estudiar, comprender e intervenir en la educación de las siguientes generaciones, no solo con conocimientos específicos sino también como un ser humano que interactúa en y con la sociedad circundante.   En Colombia, los requisitos para lograr o mantener la acreditación son cada vez más exigentes, al igual que las condiciones para desarrollar y difundir investigaciones de alto impacto para la sociedad. Ello significa, que sostener un reconocimiento institucional, se convierte en un desafío para los docentes universitarios, pues la función y gestión que desarrolla un docente e investigador tiene un alto valor para la Universidad y para la sociedad, su labor aporta a la construcción de ciudadanía y a la formación de ciudadanos éticamente correctos y profesionalmente competentes para enaltecer y dignificar lo humano (Murrain, Farid y Vargas, 2017).   En conclusión, cada logro genera regocijo, pero al mismo tiempo, constituye un punto de partida para enfrentar nuevos desafíos y lograr nuevos propósitos holistas con el sentir académico y social para la universidad y el entorno.   PATRICIA GUTIÉRREZ PRADA Editor

Estimation of the disease prevalence when diagnostic tests are subject to classification error: bayesian approach

La estimación de la prevalencia de una enfermedad, la cual es definida como el número de casos con la enfermedad en una población dividida por el número de elementos en ésta, es realizado con gran precisión cuando existen pruebas 100% exactas, también llamadas gold standard. Sin embargo, en muchos casos, debido a los altos costos de las pruebas de diagnóstico o limitaciones de tecnología, la prueba gold standard no existe y debe ser reemplazada por una o más pruebas diagnósticas no tan caras pero con bajos niveles de sensibilidad o especificidad. Este estudio está enfocado en el estudio de dos enfoques bayesianos para la estimación de prevalencia cuando no es factible tener resultados de una prueba 100% exacta. El primero es un modelo con dos parámetros que toman en cuenta la asociación entre los resultados de las pruebas. El segundo es un enfoque que propone el uso del Bayesian Model Averaging para combinar los resultados de cuatro modelos donde cada uno de estos tiene suposiciones diferentes sobre la asociación entre los resultados de las pruebas diagnósticas. Ambos enfoques son estudiados mediante simulaciones para evaluar el desempeño de estos bajo diferentes escenarios. Finalmente estas técnicas serán usadas para estimar la prevalencia de enfermedad renal crónica en el Perú con datos de un estudio de cohortes de CRONICAS (Francis et al., 2015).Tesi

How do software architects consider non-functional requirements: an exploratory study

© 2012 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes,creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.Dealing with non-functional requirements (NFRs) has posed a challenge onto software engineers for many years. Over the years, many methods and techniques have been proposed to improve their elicitation, documentation, and validation. Knowing more about the state of the practice on these topics may benefit both practitioners' and researchers' daily work. A few empirical studies have been conducted in the past, but none under the perspective of software architects, in spite of the great influence that NFRs have on daily architects' practices. This paper presents some of the findings of an empirical study based on 13 interviews with software architects. It addresses questions such as: who decides the NFRs, what types of NFRs matter to architects, how are NFRs documented, and how are NFRs validated. The results are contextualized with existing previous work.Peer ReviewedPostprint (author’s final draft

Genetsko oplemenjivanje masline

In the last decade significant progress has been made in developing successful olive cloning techniques, although some difficulties still remain such as that with establishing sterile cultures in vitro and morphogenesis from mature tissue of cultivars. More work is required, although significant advances have also been made in shoot regeneration from petioles of in vitro grown shoots of several cultivars (Mencuccini and Rugini, 1993). However, the regeneration ability is still low for use in biotechnological applications. The novel strategy of the «double regeneration», developed to achieve somatic embryos in olive cv. Canino and Moraiolo may also be applicable in other cultivars. This technique can be generalised since at present it is essential for inducing and maintaining shoot morphogenic callus in other species such as cherry, apple, and pear (Gutiérrez Pesce et al., 1998; Rugini e Muganu 1998; Abdollahi et al., 2005). Gene transfer techniques offer a more powerful strategy for genetic improvement in respect to traditional breeding methods. It allows the introduction into one genotype, one or a few pieces of genetic information without drastic modifications of the general characteristics of the plant. Transformation techniques have been developed, by using somatic embryogenesis, and transgenic plants, with some desirable agronomic traits, have already been generated in one cultivar. At present field trials, approved by the Italian Health Minister, are conducted on transgenic rolABC, and osmotin plants. From transgenic olive plants, similar to kiwi transgenic plants with rolABC genes we expect plants with large root systems, compact vegetative habitus, smaller number of flowers per plant, and high rooting ability of cuttings. In plants over-expressing osmotin gene, we expect a higher tolerance to some fungi. Many genes have already been isolated from several species, which may be introduced in olive singly or associated with others. Transformation experiments with multiple genes (chitinase + osmotin + PR1) are in progress in our laboratory in order to increase fungal resistance. Antibacterial genes (thionin, cecropin, attacin, etc.) against Pseudomonas syringae and genes for modifying the pattern of fruit ripening (ethylene, PG) are only a few examples of the potential of genetic manipulation to improve olive. A high content of di-hydroxiphenols could confer the valuable bitter taste in the olive oil. Agrobacterium-mediated gene transfer seems to be the most efficient method in olive. The molecular techniques should not aim only to make clear the phylogenesis of the genus, but also to clone useful genes and promoters in olive. To facilitate this work, biotechnology, long-term breeding programs and biochemical research should be closely linked to achieve the objectives quickly.U zadnjem desetljeću učinjen je znatan napredak u razvijanju uspješnih metoda kloniranja maslina iako će neke poteškoće ostati, kao utvrđivanje sterilnih kultura in vitro i morfogeneza iz zrelog tkiva kultivara. Potrebno je još raditi, makar je učinjen znatan napredak i u regeneraciji izbojaka iz petiola uzgojenih in vitro od nekoliko kultivara (Mencuccini i Rugini, 1993). Međutim, mogućnost regeneracije još je uvijek mala za biotehnološku primjenu. Nova strategija "dvostruke regeneracije", razvijena kako bi se dobili somatski embriji masline cv. Ganino i Moraiolo mogu se primijeniti i u drugim kultivarima. Ova se tehnika može generalizirati jer je danas bitna za induciranje i održavanje morfogenskog kalusa izbojka u drugim vrstama kao što su trešnja, jabuka i kruška (Gutierrez Pesce et al. 1998; Rugini e Muganu, 1998; Abdollahi et al., 2005). Tehnike transfera gena pružaju snažniju strategiju za genetsko oplemenjivanje u odnosu na tradicionalne uzgojne metode. One omogućuju uvođenje u jedan genotip jedne ili više genetskih informacija bez drastičnih modifikacija općih značajki biljke. Razvijene su tehnike transformacije primjenom somatske embriogeneze i transgenske biljke određenih poželjnih agronomskih svojstava i već su proizvedene u jednom kultivaru. Upravo se provode pokusi na terenu, koje je odobrio talijanski Ministar zdravstva, na transgenskim rolABC i osmotinskim biljkama. Od transgenskih biljaka masline, slično transgenskim biljkama kivija s genima rolABC, očekujemo biljke velikog sustava korijena, zbijenog vegetativnog habitusa, manjeg broja cvjetova po biljci i velike sposobnosti sadnica za ukorijenjenjem. U biljaka preizraženog osmotinskog gena očekujemo veću tolerantnost na neke gljive/gljivice. Izolirani su već mnogi geni iz nekoliko vrsta, što se mogu introducirati pojedinačno ili zajedno s drugima. Pokusi transformacije s mnogostrukim genima (chitinase + osmotin + PRL) su u tijeku u našem laboratoriju, kako bi se povećala otpornost na gljivice. Antibakterijski geni (tionin, cecropin, atacin itd.) protiv Pseudomonas syringae i geni za modificiranje uzorka zriobe voća (etilen, PG) samo su neki primjeri potencijala genetske manipulacije za oplemenjivanje masline. Visok sadržaj dihidroksifenola mogao bi prenijeti dragocjen gorki okus maslinovog ulja. Prijenos gena posredstvom agro-bakterija čini se najdjelotvornijom metodom u masline. Cilj molekularnih tehnika ne bi trebao biti samo razjašnjenje filogeneze gena nego i kloniranje korisnih gena i stimulatora u maslini. Da bi se taj posao olakšao potrebno je usko povezati biotehnologiju, dugoročne uzgojne programe i biokemijska istraživanja radi brzog postizanja ciljeva

Selection of third party software in Off-The-Shelf-based software development: an interview study with industrial practitioners

The success of software development using third party components highly depends on the ability to select a suitable component for the intended application. The evidence shows that there is limited knowledge about current industrial OTS selection practices. As a result, there is often a gap between theory and practice, and the proposed methods for supporting selection are rarely adopted in the industrial practice. This paper's goal is to investigate the actual industrial practice of component selection in order to provide an initial empirical basis that allows the reconciliation of research and industrial endeavors. The study consisted of semi-structured interviews with 23 employees from 20 different software-intensive companies that mostly develop web information system applications. It provides qualitative information that help to further understand these practices, and emphasize some aspects that have been overlooked by researchers. For instance, although the literature claims that component repositories are important for locating reusable components; these are hardly used in industrial practice. Instead, other resources that have not received considerable attention are used with this aim. Practices and potential market niches for software-intensive companies have been also identified. The results are valuable from both the research and the industrial perspectives as they provide a basis for formulating well-substantiated hypotheses and more effective improvement strategies.Peer ReviewedPostprint (author's final draft