Bis amide-aromatic-ureasd highly effective hydro- and organogelator systems

A series of hydro- and organo-supergelators have been synthesised via coupling of simple bis aromaticureas via alkyl amide linkages. These bis amide-aromatic-ureas exhibited reduced critical gelator concentrations, improved gelator stability, mechanical and dye removal properties for potential use in water purification, in comparison to related bis aromatic-ureas. Systematic structure studies via variation of the bis amide-aromatic-urea linker length as well as functionalization of the terminal aromatic moieties have enabled control over the gel properties.

UNIVERSAL COVERING OF DRIFTLESS CONTROL SYSTEMS

Let M be a finite-dimensional manifold and Sigma be a driftless control system on M of full rank. We prove that for a given initial state x epsilon M, the covering space Gamma(Sigma, x) for a monotonic homotopy of trajectories of Sigma which is recently constructed in [1] coincides with the simply connected universal covering manifold of M and that the terminal projection epsilon(x) : Gamma(Sigma, x) -> M given by epsilon(x) ([alpha]) = alpha(1) is a covering mapping.

Interaction of biologically-relevant peptides with membrane model systems

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Controlling the formation of ionic-liquid-based aqueous biphasic systems by changing the hydrogen-bonding ability of polyethylene glycol end groups

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Structure-activity relationship of mastoparan analogs: effects of the number and positioning of Lys residues on secondary structure, interaction with membrane-mimetic systems and biological activity

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Polymorphic toxin systems: Comprehensive characterization of trafficking modes, processing, mechanisms of action, immunity and ecology using comparative genomics

Background: Proteinaceous toxins are observed across all levels of inter-organismal and intra-genomic conflicts. These include recently discovered prokaryotic polymorphic toxin systems implicated in intra-specific conflicts. They are characterized by a remarkable diversity of C-terminal toxin domains generated by recombination with standalone toxin-coding cassettes. Prior analysis revealed a striking diversity of nuclease and deaminase domains among the toxin modules. We systematically investigated polymorphic toxin systems using comparative genomics, sequence and structure analysis. Results: Polymorphic toxin systems are distributed across all major bacterial lineages and are delivered by at least eight distinct secretory systems. In addition to type-II, these include type-V, VI, VII (ESX), and the poorly characterized "Photorhabdus virulence cassettes (PVC)", PrsW-dependent and MuF phage-capsid-like systems. We present evidence that trafficking of these toxins is often accompanied by autoproteolytic processing catalyzed by HINT, ZU5, PrsW, caspase-like, papain-like, and a novel metallopeptidase associated with the PVC system. We identified over 150 distinct toxin domains in these systems. These span an extraordinary catalytic spectrum to include 23 distinct clades of peptidases, numerous previously unrecognized versions of nucleases and deaminases, ADP-ribosyltransferases, ADP ribosyl cyclases, RelA/SpoT-like nucleotidyltransferases, glycosyltranferases and other enzymes predicted to modify lipids and carbohydrates, and a pore-forming toxin domain. Several of these toxin domains are shared with host-directed effectors of pathogenic bacteria. Over 90 families of immunity proteins might neutralize anywhere between a single to at least 27 distinct types of toxin domains. In some organisms multiple tandem immunity genes or immunity protein domains are organized into polyimmunity loci or polyimmunity proteins. Gene-neighborhood-analysis of polymorphic toxin systems predicts the presence of novel trafficking-related components, and also the organizational logic that allows toxin diversification through recombination. Domain architecture and protein-length analysis revealed that these toxins might be deployed as secreted factors, through directed injection, or via inter-cellular contact facilitated by filamentous structures formed by RHS/YD, filamentous hemagglutinin and other repeats. Phyletic pattern and life-style analysis indicate that polymorphic toxins and polyimmunity loci participate in cooperative behavior and facultative 'cheating' in several ecosystems such as the human oral cavity and soil. Multiple domains from these systems have also been repeatedly transferred to eukaryotes and their viruses, such as the nucleo-cytoplasmic large DNA viruses. Conclusions: Along with a comprehensive inventory of toxins and immunity proteins, we present several testable predictions regarding active sites and catalytic mechanisms of toxins, their processing and trafficking and their role in intra-specific and inter-specific interactions between bacteria. These systems provide insights regarding the emergence of key systems at different points in eukaryotic evolution, such as ADP ribosylation, interaction of myosin VI with cargo proteins, mediation of apoptosis, hyphal heteroincompatibility, hedgehog signaling, arthropod toxins, cell-cell interaction molecules like teneurins and different signaling messengers.

Performance Evaluation of Material Flow Systems in Discrete Time

Im folgenden Beitrag werden zeitdiskrete analytische Methoden vorgestellt, mit Hilfe derer Informations- und Materialflüsse in logistischen Systemen analysiert und bewertet werden können. Bestehende zeitdiskrete Verfahren sind jedoch auf die Bearbeitung und Weitergabe in immer gleichen Mengen („One Piece Flow“) beschränkt. Vor allem in Materialflusssystemen kommt es, bedingt durch die Zusammenfassung von Aufträgen, durch Transporte und durch Sortiervorgänge, zur Bildung von Batches. Daher wurden analytische Methoden entwickelt, die es ermöglichen, verschiedene Sammelprozesse, Batchankünfte an Ressourcen, Batchbearbeitung und Sortieren von Batches analytisch abzubilden und Leistungskenngrößen zu deren Bewertung zu bestimmen. Die im Rahmen der Entwicklungsarbeiten entstandene Software-Lösung „Logistic Analyzer“ ermöglicht eine einfache Modellierung und Analyse von praktischen Problemen. Der Beitrag schließt mit einem numerischen Beispiel.

Predicting childhood sexual or physical abuse: a logistic regression geo-mapping approach to prevention.

This study investigates the degree to which gender, ethnicity, relationship to perpetrator, and geomapped socio-economic factors significantly predict the incidence of childhood sexual abuse, physical abuse and non- abuse. These variables are then linked to geographic identifiers using geographic information system (GIS) technology to develop a geo-mapping framework for child sexual and physical abuse prevention.

Fibrillins: Sequence, phylogeny and carboxy terminal domain proteolytic processing

Fibrillin-1 and -2 are large secreted glycoproteins that are known to be components of extracellular matrix microfibrils located in the vasculature, basement membrane and various connective tissues. These microfibrils are often associated with a superstructure known as the elastic fiber. During the development of elastic tissues, fibrillin microfibrils precede the appearance of elastin and may provide a scaffolding for the deposition and crosslinking of elastin. Using RT/PCR, we cloned and sequenced 3.85Kbp of the FBN2 gene. Five differences were found between our contig sequence and that published by Zhang et al. (1995). Like many extracellular matrix proteins, the fibrillins are modular proteins. We compared analogous domains of the two fibrillins and also members of the latent TGF-$\beta$ binding protein (LTBP) family to determine their phylogenetic relationship. We found that the two families are homologous. LTBP-2 is the most similar to the fibrillin family while FBN-1 is the most similar to the LTBP family. The fibrillin-1 carboxy terminal domain is proteolytically processed. Two eukaryotic protein expression systems, baculoviral and CHO-K1, were developed to examine the proteolytic processing of the carboxy terminal domain of the fibrillin-1 protein. Both expression systems successfully processed the domain and both processed a mutant less efficiently. In the CHO-K1 cells, processing occurred intracellularly. ^

Migrant Background and Higher Education Participation in Europe. The Effect of the Educational Systems

The main aim of this article is to shed light on the extent to which differences in higher education participation between people with and without a migrant background of low/higher social origin can be explained by two macro-level characteristics of national educational institutions: stratification of the secondary school system and provision of alternative access to higher education. General assumptions are that people with a migrant background of low social origin benefit in low-stratified secondary school systems and in systems that provide alternative access to institutions of higher education more than their native peers in the same social stratum, owing to primary and secondary effects of migrant background. Database is a pooled dataset of the five waves of the European Social Survey. Results of logistic multi-level analyses indicate that a low-stratified secondary school system improves the probability of people with a migrant background/low social origin attaining a higher education degree. On the other hand, a stratified secondary school system reduces their chances regarding this educational stage. The provision of alternative access to an institution of higher education improves their likelihood of becoming higher education graduates.

Nck-interacting Ste20 kinase couples Eph receptors to c-Jun N-terminal kinase and integrin activation.

The mammalian Ste20 kinase Nck-interacting kinase (NIK) specifically activates the c-Jun amino-terminal kinase (JNK) mitogen-activated protein kinase module. NIK also binds the SH3 domains of the SH2/SH3 adapter protein Nck. To determine whether Nck functions as an adapter to couple NIK to a receptor tyrosine kinase signaling pathway, we determined whether NIK is activated by Eph receptors (EphR). EphRs constitute the largest family of receptor tyrosine kinases (RTK), and members of this family play important roles in patterning of the nervous and vascular systems. In this report, we show that NIK kinase activity is specifically increased in cells stimulated by two EphRs, EphB1 and EphB2. EphB1 kinase activity and phosphorylation of a juxtamembrane tyrosine (Y594), conserved in all Eph receptors, are both critical for NIK activation by EphB1. Although pY594 in the EphB1R has previously been shown to bind the SH2 domain of Nck, we found that stimulation of EphB1 and EphB2 led predominantly to a complex between NIK/Nck, p62(dok), RasGAP, and an unidentified 145-kDa tyrosine-phosphorylated protein. Tyrosine-phosphorylated p62(dok) most probably binds directly to the SH2 domain of Nck and RasGAP and indirectly to NIK bound to the SH3 domain of Nck. We found that NIK activation is also critical for coupling EphB1R to biological responses that include the activation of integrins and JNK by EphB1. Taken together, these findings support a model in which the recruitment of the Ste20 kinase NIK to phosphotyrosine-containing proteins by Nck is an important proximal step in the signaling cascade downstream of EphRs.

Toxics Release Inventory facilities and childhood cancer: Geographic information systems based approach

Purpose. To examine the association between living in proximity to Toxics Release Inventory (TRI) facilities and the incidence of childhood cancer in the State of Texas. ^ Design. This is a secondary data analysis utilizing the publicly available Toxics release inventory (TRI), maintained by the U.S. Environmental protection agency that lists the facilities that release any of the 650 TRI chemicals. Total childhood cancer cases and childhood cancer rate (age 0-14 years) by county, for the years 1995-2003 were used from the Texas cancer registry, available at the Texas department of State Health Services website. Setting: This study was limited to the children population of the State of Texas. ^ Method. Analysis was done using Stata version 9 and SPSS version 15.0. Satscan was used for geographical spatial clustering of childhood cancer cases based on county centroids using the Poisson clustering algorithm which adjusts for population density. Pictorial maps were created using MapInfo professional version 8.0. ^ Results. One hundred and twenty five counties had no TRI facilities in their region, while 129 facilities had at least one TRI facility. An increasing trend for number of facilities and total disposal was observed except for the highest category based on cancer rate quartiles. Linear regression analysis using log transformation for number of facilities and total disposal in predicting cancer rates was computed, however both these variables were not found to be significant predictors. Seven significant geographical spatial clusters of counties for high childhood cancer rates (p<0.05) were indicated. Binomial logistic regression by categorizing the cancer rate in to two groups (<=150 and >150) indicated an odds ratio of 1.58 (CI 1.127, 2.222) for the natural log of number of facilities. ^ Conclusion. We have used a unique methodology by combining GIS and spatial clustering techniques with existing statistical approaches in examining the association between living in proximity to TRI facilities and the incidence of childhood cancer in the State of Texas. Although a concrete association was not indicated, further studies are required examining specific TRI chemicals. Use of this information can enable the researchers and public to identify potential concerns, gain a better understanding of potential risks, and work with industry and government to reduce toxic chemical use, disposal or other releases and the risks associated with them. TRI data, in conjunction with other information, can be used as a starting point in evaluating exposures and risks. ^

Container Terminal Simulation. A case study: port of Valencia.

This paper is concerned with the study of non-Markovian queuing systems in container terminals. The methodology presented has been applied to analyze the ship traffic in the port of Valencia located in the Western Mediterranean. Two container terminals have been studied: the public container terminal of NOATUM and the dedicated container terminal of MSC. This paper contains the results of a simulation model based on queuing theory. The methodology presented is found to be effective in replicating realistic ship traffic operations in port as well as in conducting capacity evaluations. Thus the methodology can be used for capacity planning (long term), tactical planning (medium term) and even for the container terminal design (port enlargement purposes).

On the Degree of Team Cooperation in CD Grammar Systems.

In this paper, we introduce a dynamical complexity measure, namely the degree of team cooperation, in the aim of investigating "how much" the components of a grammar system cooperate when forming a team in the process of generating terminal words. We present several results which strongly suggest that this measure is trivial in the sense that the degree of team cooperation of any language is bounded by a constant. Finally, we prove that the degree of team cooperation of a given cooperating/distributed grammar system cannot be algorithmically computed and discuss a decision problem.

Contribution to proactivity in mobile context-aware recommender systems

Los sistemas de recomendación son potentes herramientas de filtrado de información que permiten a usuarios solicitar sugerencias sobre ítems que cubran sus necesidades. Tradicionalmente estas recomendaciones han estado basadas en opiniones de los mismos, así como en datos obtenidos de su consumo histórico o comportamiento en el propio sistema. Sin embargo, debido a la gran penetración y uso de los dispositivos móviles en nuestra sociedad, han surgido nuevas oportunidades en el campo de los sistemas de recomendación móviles gracias a la información contextual que se puede obtener sobre la localización o actividad de los usuarios. Debido a este estilo de vida en el que todo tiende a la movilidad y donde los usuarios están plenamente interconectados, la información contextual no sólo es física, sino que también adquiere una dimensión social. Todo esto ha dado lugar a una nueva área de investigación relacionada con los Sistemas de Recomendación Basados en Contexto (CARS) móviles donde se busca incrementar el nivel de personalización de las recomendaciones al usar dicha información. Por otro lado, este nuevo escenario en el que los usuarios llevan en todo momento un terminal móvil consigo abre la puerta a nuevas formas de recomendar. Sustituir el tradicional patrón de uso basado en petición-respuesta para evolucionar hacia un sistema proactivo es ahora posible. Estos sistemas deben identificar el momento más adecuado para generar una recomendación sin una petición explícita del usuario, siendo para ello necesario analizar su contexto. Esta tesis doctoral propone un conjunto de modelos, algoritmos y métodos orientados a incorporar proactividad en CARS móviles, a la vez que se estudia el impacto que este tipo de recomendaciones tienen en la experiencia de usuario con el fin de extraer importantes conclusiones sobre "qué", "cuándo" y "cómo" se debe notificar proactivamente. Con este propósito, se comienza planteando una arquitectura general para construir CARS móviles en escenarios sociales. Adicionalmente, se propone una nueva forma de representar el proceso de recomendación a través de una interfaz REST, lo que permite crear una arquitectura independiente de dispositivo y plataforma. Los detalles de su implementación tras su puesta en marcha en el entorno bancario español permiten asimismo validar el sistema construido. Tras esto se presenta un novedoso modelo para incorporar proactividad en CARS móviles. Éste muestra las ideas principales que permiten analizar una situación para decidir cuándo es apropiada una recomendación proactiva. Para ello se presentan algoritmos que establecen relaciones entre lo propicia que es una situación y cómo esto influye en los elementos a recomendar. Asimismo, para demostrar la viabilidad de este modelo se describe su aplicación a un escenario de recomendación para herramientas de creación de contenidos educativos. Siguiendo el modelo anterior, se presenta el diseño e implementación de nuevos interfaces móviles de usuario para recomendaciones proactivas, así como los resultados de su evaluación entre usuarios, lo que aportó importantes conclusiones para identificar cuáles son los factores más relevantes a considerar en el diseño de sistemas proactivos. A raíz de los resultados anteriores, el último punto de esta tesis presenta una metodología para calcular cuán apropiada es una situación de cara a recomendar de manera proactiva siguiendo el modelo propuesto. Como conclusión, se describe la validación llevada a cabo tras la aplicación de la arquitectura, modelo de recomendación y métodos descritos en este trabajo en una red social de aprendizaje europea. Finalmente, esta tesis discute las conclusiones obtenidas a lo largo de la extensa investigación llevada a cabo, y que ha propiciado la consecución de una buena base teórica y práctica para la creación de sistemas de recomendación móviles proactivos basados en información contextual. ABSTRACT Recommender systems are powerful information filtering tools which offer users personalized suggestions about items whose aim is to satisfy their needs. Traditionally the information used to make recommendations has been based on users’ ratings or data on the item’s consumption history and transactions carried out in the system. However, due to the remarkable growth in mobile devices in our society, new opportunities have arisen to improve these systems by implementing them in ubiquitous environments which provide rich context-awareness information on their location or current activity. Because of this current all-mobile lifestyle, users are socially connected permanently, which allows their context to be enhanced not only with physical information, but also with a social dimension. As a result of these novel contextual data sources, the advent of mobile Context-Aware Recommender Systems (CARS) as a research area has appeared to improve the level of personalization in recommendation. On the other hand, this new scenario in which users have their mobile devices with them all the time offers the possibility of looking into new ways of making recommendations. Evolving the traditional user request-response pattern to a proactive approach is now possible as a result of this rich contextual scenario. Thus, the key idea is that recommendations are made to the user when the current situation is appropriate, attending to the available contextual information without an explicit user request being necessary. This dissertation proposes a set of models, algorithms and methods to incorporate proactivity into mobile CARS, while the impact of proactivity is studied in terms of user experience to extract significant outcomes as to "what", "when" and "how" proactive recommendations have to be notified to users. To this end, the development of this dissertation starts from the proposal of a general architecture for building mobile CARS in scenarios with rich social data along with a new way of managing a recommendation process through a REST interface to make this architecture multi-device and cross-platform compatible. Details as regards its implementation and evaluation in a Spanish banking scenario are provided to validate its usefulness and user acceptance. After that, a novel model is presented for proactivity in mobile CARS which shows the key ideas related to decide when a situation warrants a proactive recommendation by establishing algorithms that represent the relationship between the appropriateness of a situation and the suitability of the candidate items to be recommended. A validation of these ideas in the area of e-learning authoring tools is also presented. Following the previous model, this dissertation presents the design and implementation of new mobile user interfaces for proactive notifications. The results of an evaluation among users testing these novel interfaces is also shown to study the impact of proactivity in the user experience of mobile CARS, while significant factors associated to proactivity are also identified. The last stage of this dissertation merges the previous outcomes to design a new methodology to calculate the appropriateness of a situation so as to incorporate proactivity into mobile CARS. Additionally, this work provides details about its validation in a European e-learning social network in which the whole architecture and proactive recommendation model together with its methods have been implemented. Finally, this dissertation opens up a discussion about the conclusions obtained throughout this research, resulting in useful information from the different design and implementation stages of proactive mobile CARS.