Folding of Protein L with Implications for Collapse in the Denatured State Ensemble

A fundamental question in protein folding is whether the coil to globule collapse transition occurs during the initial stages of folding (burst phase) or simultaneously with the protein folding transition. Single molecule fluorescence resonance energy transfer (FRET) and small-angle X-ray scattering (SAXS) experiments disagree on whether Protein L collapse transition occurs during the burst phase of folding. We study Protein L folding using a coarse-grained model and molecular dynamics simulations. The collapse transition in Protein L is found to be concomitant with the folding transition. In the burst phase of folding, we find that FRET experiments overestimate radius of gyration, R-g, of the protein due to the application of Gaussian polymer chain end-to-end distribution to extract R-g from the FRET efficiency. FRET experiments estimate approximate to 6 angstrom decrease in R-g when the actual decrease is approximate to 3 angstrom on guanidinium chloride denaturant dilution from 7.5 to 1 M, thereby suggesting pronounced compaction in the protein dimensions in the burst phase. The approximate to 3 angstrom decrease is close to the statistical uncertainties of the R-g data measured from SAXS experiments, which suggest no compaction, leading to a disagreement with the FRET experiments. The transition-state ensemble (TSE) structures in Protein L folding are globular and extensive in agreement with the Psi-analysis experiments. The results support the hypothesis that the TSE of single domain proteins depends on protein topology and is not stabilized by local interactions alone.

Autoregulation of topoisomerase I expression by supercoiling sensitive transcription

The opposing catalytic activities of topoisomerase I (TopoI/relaxase) and DNA gyrase (supercoiling enzyme) ensure homeostatic maintenance of bacterial chromosome supercoiling. Earlier studies in Es-cherichia coli suggested that the alteration in DNA supercoiling affects the DNA gyrase and TopoI expression. Although, the role of DNA elements around the promoters were proposed in regulation of gyrase, the molecular mechanism of supercoiling mediated control of TopoI expression is not yet understood. Here, we describe the regulation of TopoI expression from Mycobacterium tuberculosis and Mycobac-terium smegmatis by a mechanism termed Supercoiling Sensitive Transcription (SST). In both the organisms, topoI promoter(s) exhibited reduced activity in response to chromosome relaxation suggesting that SST is intrinsic to topoI promoter(s). We elucidate the role of promoter architecture and high transcriptional activity of upstream genes in topoI regulation. Analysis of the promoter(s) revealed the presence of suboptimal spacing between the -35 and -10 elements, rendering them supercoiling sensitive. Accordingly, upon chromosome relaxation, RNA polymerase occupancy was decreased on the topoI promoter region implicating the role of DNA topology in SST of topoI. We propose that negative supercoiling induced DNA twisting/writhing align the -35 and -10 elements to facilitate the optimal transcription of topoI.

Methods for enhanced electrical transduction and characterization of micromechanical resonators

This paper details the design and enhanced electrical transduction of a bulk acoustic mode resonator fabricated in a commercial foundry MEMS process utilizing 2.5 μm gaps. The I-V characteristics of electrically addressed silicon resonators are often dominated by capacitive parasitics, inherent to hybrid technologies. This paper benchmarks a variety of drive and detection principles for electrostatically driven square-extensional mode resonators operating in air via analytical models accompanied by measurements of fabricated devices with the primary aim of enhancing the ratio of the motional to feedthrough current at nominal operating voltages. In view of ultimately enhancing the motional to feedthrough current ratio, a new detection technique that combines second harmonic capacitive actuation and piezoresistive detection is presented herein. This new method is shown to outperform previously reported methods utilizing voltages as low as ±3 V in air, providing a promising solution for low voltage CMOS-MEMS integration. To elucidate the basis of this improvement in signal output from measured devices, an approximate analytical model for piezoresistive sensing specific to the resonator topology reported here is also developed and presented. © 2010 Elsevier B.V. All rights reserved.

Pattern Recognition With Weighted Complex Networks

In this paper we introduce a weighted complex networks model to investigate and recognize structures of patterns. The regular treating in pattern recognition models is to describe each pattern as a high-dimensional vector which however is insufficient to express the structural information. Thus, a number of methods are developed to extract the structural information, such as different feature extraction algorithms used in pre-processing steps, or the local receptive fields in convolutional networks. In our model, each pattern is attributed to a weighted complex network, whose topology represents the structure of that pattern. Based upon the training samples, we get several prototypal complex networks which could stand for the general structural characteristics of patterns in different categories. We use these prototypal networks to recognize the unknown patterns. It is an attempt to use complex networks in pattern recognition, and our result shows the potential for real-world pattern recognition. A spatial parameter is introduced to get the optimal recognition accuracy, and it remains constant insensitive to the amount of training samples. We have discussed the interesting properties of the prototypal networks. An approximate linear relation is found between the strength and color of vertexes, in which we could compare the structural difference between each category. We have visualized these prototypal networks to show that their topology indeed represents the common characteristics of patterns. We have also shown that the asymmetric strength distribution in these prototypal networks brings high robustness for recognition. Our study may cast a light on understanding the mechanism of the biologic neuronal systems in object recognition as well.

Representación 3D interactiva de relaciones de derivación e hiponimia en paradigmas léxicos del inglés antiguo

Participantes en el proyecto Nerthus: Javier Martín Arista (Universidad de La Rioja, Investigador principal), Laboratorio de Documentación Geométrica del Patrimonio (Universidad del País Vasco UPV/EHU).-- Sitio web del proyecto: http://www.nerthusproject.com/

Visualización interactiva de grafos con el programa Xglore

[ES] El presente manual describe el manejo de grafos de forma interactiva en el entorno 3D que proporciona el programa Xglore (http://sourceforge.net/projects/xglore/). Forma parte del proyecto “Nerthusv2: Base de datos léxica en 3D del inglés antiguo” patrocinado por el Ministerio de Ciencia e Innovación (nº: FFI08-04448/FILO).

Développement des méthodes de stabilisation pour la conception des circuits hyperfréquences : application à l'optimisation d'un amplificateur de puissance spatial

209 p. : graf.

Learning in Network Games

We report the findings of an experiment designed to study how people learn and make decisions in network games. Network games offer new opportunities to identify learning rules, since on networks (compared to e.g. random matching) more rules differ in terms of their information requirements. Our experimental design enables us to observe both which actions participants choose and which information they consult before making their choices. We use this information to estimate learning types using maximum likelihood methods. There is substantial heterogeneity in learning types. However, the vast majority of our participants' decisions are best characterized by reinforcement learning or (myopic) best-response learning. The distribution of learning types seems fairly stable across contexts. Neither network topology nor the position of a player in the network seem to substantially affect the estimated distribution of learning types.

Communities in complex networks

The study of complex networks has attracted the attention of the scientific community for many obvious reasons. A vast number of systems, from the brain to ecosystems, power grid, and the Internet, can be represented as large complex networks, i.e, assemblies of many interacting components with nontrivial topological properties. The link between these components can describe a global behaviour such as the Internet traffic, electricity supply service, market trend, etc. One of the most relevant topological feature of graphs representing these complex systems is community structure which aims to identify the modules and, possibly, their hierarchical organization, by only using the information encoded in the graph topology. Deciphering network community structure is not only important in order to characterize the graph topologically, but gives some information both on the formation of the network and on its functionality.

Propuesta para acceder a los recursos sobre Patrimonio depositados en el repositorio institucional ADDI de la Universidad del País Vasco (UPV/EHU) mediante un grafo 3D interactivo

[ES] Los repositorios institucionales albergan gran cantidad de información científica generada por las universidades y centros de investigación que está disponible para su descarga y uso de forma libre. Uno de los factores que puede limitar el uso proviene de la dificultad de navegación dentro de las interfaces que proporcionan estos programas de cara a los usuarios; por este motivo, es interesante desarrollar métodos alternativos de búsqueda y navegación por los contenidos que complementen a los existentes, permitiendo así una mayor difusión.

Community structure in real-world networks from a non-parametrical synchronization-based dynamical approach

[EN]This work analyzes the problem of community structure in real-world networks based on the synchronization of nonidentical coupled chaotic Rössler oscillators each one characterized by a defined natural frequency, and coupled according to a predefined network topology. The interaction scheme contemplates an uniformly increasing coupling force to simulate a society in which the association between the agents grows in time. To enhance the stability of the correlated states that could emerge from the synchronization process, we propose a parameterless mechanism that adapts the characteristic frequencies of coupled oscillators according to a dynamic connectivity matrix deduced from correlated data. We show that the characteristic frequency vector that results from the adaptation mechanism reveals the underlying community structure present in the network.

Advances in Click Chemistry for Single-Chain Nanoparticle Construction

Single-chain polymeric nanoparticles are artificial folded soft nano-objects of ultra-small size which have recently gained prominence in nanoscience and nanotechnology due to their exceptional and sometimes unique properties. This review focuses on the current state of the investigations of click chemistry techniques for highly-efficient single-chain nanoparticle construction. Additionally, recent progress achieved for the use of well-defined single-chain nanoparticles in some promising fields, such as nanomedicine and catalysis, is highlighted.

Enhanced Operation of Electricity Distribution Grids Through Smart Metering PLC Network Monitoring, Analysis and Grid Conditioning

Low Voltage (LV) electricity distribution grid operations can be improved through a combination of new smart metering systems' capabilities based on real time Power Line Communications (PLC) and LV grid topology mapping. This paper presents two novel contributions. The first one is a new methodology developed for smart metering PLC network monitoring and analysis. It can be used to obtain relevant information from the grid, thus adding value to existing smart metering deployments and facilitating utility operational activities. A second contribution describes grid conditioning used to obtain LV feeder and phase identification of all connected smart electric meters. Real time availability of such information may help utilities with grid planning, fault location and a more accurate point of supply management.

Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup

The polar headgroup of dipalmitoylphosphatidylcholine (DPPC) molecule both in gas phase and aqueous Solution is investigated by the hybrid quantum mechanical/molecular mechanical (QM/MM) method, in which the polar head of DPPC molecule and the bound water molecules are treated with density functional theory (DFT), while the apolar hydrocarbon chain of DPPC molecule is treated with MM method. It is demonstrated that the hybrid QM/MM method is both accurate and efficient to describe the conformations of DPPC headgroup. Folded structures of headgroup are found in gas phase calculations. In this work, both monohydration and polyhydration phenomena are investigated. In monohydration, different water association sites are studied. Both the hydration energy and the quantum properties of DPPC and water molecules are calculated at the DFT level of theory after geometry optimization. The binding force of monohydration is estimated by using the scan method. In polyhydration, more extended conformations are found and hydration energies in different polyhydration styles are estimated. (C) 2008 Elsevier Inc. All rights reserved.

Non-governmental organizations and multi-sited marine conservation science: A case study

Non-governmental organizations (NGOs) are now major players in the realm of environmental conservation. While many environmental NGOs started as national organizations focused around single-species protection, governmental advocacy, and preservation of wilderness, the largest now produce applied conservation science and work with national and international stakeholders to develop conservation solutions that work in tandem with local aspirations. Marine managed areas (MMAs) are increasingly being used as a tool to manage anthropogenic stressors on marine resources and protect marine biodiversity. However, the science of MMA is far from complete. Conservation International (CI) is concluding a 5 year, $12.5 million dollar Marine Management Area Science (MMAS) initiative. There are 45 scientific projects recently completed, with four main “nodes” of research and conservation work: Panama, Fiji, Brazil, and Belize. Research projects have included MMA ecological monitoring, socioeconomic monitoring, cultural roles monitoring, economic valuation studies, and others. MMAS has the goals of conducting marine management area research, building local capacity, and using the results of the research to promote marine conservation policy outcomes at project sites. How science is translated into policy action is a major area of interest for science and technology scholars (Cash and Clark 2001; Haas 2004; Jasanoff et al. 2002). For science to move policy there must be work across “boundaries” (Jasanoff 1987). Boundaries are defined as the “socially constructed and negotiated borders between science and policy, between disciplines, across nations, and across multiple levels” (Cash et al. 2001). Working across the science-policy boundary requires boundary organizations (Guston 1999) with accountability to both sides of the boundary, among other attributes. (Guston 1999; Clark et al. 2002). This paper provides a unique case study illustrating how there are clear advantages to collaborative science. Through the MMAS initiative, CI built accountability into both sides of the science-policy boundary primarily through having scientific projects fed through strong in-country partners and being folded into the work of ongoing conservation processes. This collaborative, boundary-spanning approach led to many advantages, including cost sharing, increased local responsiveness and input, better local capacity building, and laying a foundation for future conservation outcomes. As such, MMAS can provide strong lessons for other organizations planning to get involved in multi-site conservation science. (PDF contains 3 pages)