Structural Aspects of the Distinct Biochemical Properties of Glutaredoxin 1 and Glutaredoxin 2 from Saccharomyces cerevisiae

Glutaredoxins (Grxs) are small (9-12 kDa) heat-stable proteins that are ubiquitously distributed. In Saccharomyces cerevisiae, seven Grx enzymes have been identified. Two of them (yGrx1 and yGrx2) are dithiolic, possessing a conserved Cys-Pro-Tyr-Cys motif. Here, we show that yGrx2 has a specific activity 15 times higher than that of yGrx1, although these two oxidoreductases share 64% identity and 85% similarity with respect to their amino acid sequences. Further characterization of the enzymatic activities through two-substrate kinetics analysis revealed that yGrx2 possesses a lower Km for glutathione and a higher turnover than yGrx1. To better comprehend these biochemical differences, the pK(a) of the N-terminal active-site cysteines (Cys27) of these two proteins and of the yGrx2-C30S mutant were determined. Since the pK(a) values of the yGrx1 and yGix2 Cys27 residues are very similar, these parameters cannot account for the difference observed between their specific activities. Therefore, crystal structures of yGrx2 in the oxidized form and with a glutathionyl mixed disulfide were determined at resolutions of 2.05 and 1.91 angstrom, respectively. Comparisons of yGrx2 structures with the recently determined structures of yGrx1 provided insights into their remarkable functional divergence. We hypothesize that the substitutions of Ser23 and Gln52 in yGrx1 by Ala23 and Glu52 in yGrx2 modify the capability of the active-site C-terminal cysteine to attack the mixed disulfide between the N-terminal active-site cysteine and the glutathione molecule. Mutagenesis studies supported this hypothesis. The observed structural and functional differences between yGrx1 and yGrx2 may reflect variations in substrate specificity. (C) 2008 Elsevier Ltd. All rights reserved.

Transition into adulthood : the impact of the great recession in schooling and financial choices of young adults

Mestrado em Finanças

Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character

New materials for OLED applications with low singlet–triplet energy splitting have been recently synthesized in order to allow for the conversion of triplet into singlet excitons (emitting light) via a Thermally Activated Delayed Fluorescence (TADF) process, which involves excited-states with a non-negligible amount of Charge-Transfer (CT). The accurate modeling of these states with Time-Dependent Density Functional Theory (TD-DFT), the most used method so far because of the favorable trade-off between accuracy and computational cost, is however particularly challenging. We carefully address this issue here by considering materials with small (high) singlet–triplet gap acting as emitter (host) in OLEDs and by comparing the accuracy of TD-DFT and the corresponding Tamm-Dancoff Approximation (TDA), which is found to greatly reduce error bars with respect to experiments thanks to better estimates for the lowest singlet–triplet transition. Finally, we quantitatively correlate the singlet–triplet splitting values with the extent of CT, using for it a simple metric extracted from calculations with double-hybrid functionals, that might be applied in further molecular engineering studies.

A Hydrogeologic Evaluation of the Waterloo Area in the Upper Jefferson River Valley, Montana

The Upper Jefferson River is one of the most dewatered rivers in Montana. The river exists in an intermontane basin filled with sediment transported from the Highland Mountains to the west, the Tobacco Root Mountains to the east, and the Jefferson River from the south. The Upper Jefferson River Valley is highly dependent on the Jefferson River as the main industry in the valley is agriculture. A majority of the valley is irrigated and used to grow crops, and a good portion is also used for cattle grazing. The residents of the Upper Jefferson River Valley use the aquifer as the main source of potable water. The Jefferson River is also widely used for recreation. This study took place in the Waterloo area of the Upper Jefferson River Valley, approximately 20 miles south of Whitehall, Montana. The Waterloo area provides significant groundwater base flow to the Jefferson River, which is particularly important during the late irrigation season when the river is severely dewatered, and elevated surface-water temperatures occur, creating irrigation water shortages and poor trout habitat. This area contains two springfed streams, Willow Springs and Parson’s Slough, which discharge to the Jefferson River providing cool water in the late season as well as providing the most important trout spawning habitat in the valley. The area is bordered on both the east and west by irrigation ditches, and about 60% of the study area is irrigated. Tile drains were installed in the study area in close proximity to Parsons Slough causing some concern by neighboring residents. This study evaluated relationships between surface water, groundwater, and irrigation practices so that water managers and others can make informed management decisions about the Upper Jefferson River. Data was collected via a network of groundwater wells and surface-water sites. Additionally, water-quality samples were taken and an aquifer test was conducted to determine aquifer properties. The field data were analyzed and a groundwater budget was created in order to evaluate the aquifer. Results of the groundwater budget show that seepage from the irrigation canals and irrigation recharge have the biggest influence on recharge of the aquifer. There is significant groundwater outflow from the aquifer in the spring-fed streams as well as discharge to the Jefferson River. In comparing previous study results to this study’s results, there is no evidence of the water table decreasing due to irrigation practice changes or tile drain installation. However, given the amount of recharge irrigation practices contribute to the aquifer, if significant changes were made, they may affect groundwater elevations. Also lining the irrigation ditches would have a significant impact on the aquifer, as the amount of seepage would be greatly reduced.

COMPUTATIONAL PREDICTION OF THE SPORULATION NETWORK IN CLOSTRIDIUM THERMOCELLUM

Sporulation is a process in which some bacteria divide asymmetrically to form tough protective endospores, which help them to survive in a hazardous environment for a quite long time. The factors which can trigger this process are diverse. Heat, radiation, chemicals and lacking of nutrition can all lead to the formation of endospores. This phenomenon will lead to low productivity during industrial production. However, the sporulation mechanism in a spore-forming bacterium, Clostridium theromcellum, is still unclear. Therefore, if a regulation network of sporulation can be built, we may figure out ways to inhibit this process. In this study, a computational method is applied to predict the sporulation network in Clostridium theromcellum. A working sporulation network model with 40 new predicted genes and 4 function groups is built by using a network construction program, CINPER. 5 sets of microarray expression data in Clostridium theromcellum under different conditions have been collected. The analysis shows the predicted result is reasonable.

Effects of the Use of the Educreations Application in the Reading Comprehension of an Adolescent with Autism and Speech Delay

This paper is the final proposal that accompanies the poster presentation of the action research "Effects of the Use of the Educreations Application in the Reading Comprehension of an Adolescent with Autism and Speech Delay" in the 2015 South Florida Research Education Conference.

Evaluation of the risk factors contributing to the African swine fever occurrence in Sardinia, Italy

This study assesses the relation between hypothesized risk factors and African swine fever virus (ASFV) distribution in Sardinia (Italy) after the beginning of the eradication program in 1993, using a Bayesian multivariable logistic regression mixed model. Results indicate that the probability of ASFV occurrence in Sardinia was associated to particular socio-cultural, productive and economical factors found in the region, particularly to large number of confined (i.e., closed) farms (most of them backyard), high road density, high mean altitude, large number of open fattening farms, and large number of pigs per commune. Conversely, large proportion of open farms with at least one census and large proportion of open farms per commune, were found to be protective factors for ASFV. Results suggest that basic preventive and control strategies, such as yearly census or registration of the pigs per farm and better control of the public lands where pigs are usually raised, together with endanced effords of outreach and communication with pig producers should help in the success of the eradication program for ASF in the Island. Methods and results presented here will inform decision making to better control and eradicate ASF in Sardinia and in all those areas with similar management and epidemiological conditions.

Design of maintenance structures for rural electrification with solar home systems. The case of the Moroccan program.

n decentralised rural electrification through solar home systems, private companies and promoting institutions are faced with the problem of deploying maintenance structures to operate and guarantee the service of the solar systems for long periods (ten years or more). The problems linked to decentralisation, such as the dispersion of dwellings, difficult access and maintenance needs, makes it an arduous task. This paper proposes an innovative design tool created ad hoc for photovoltaic rural electrification based on a real photovoltaic rural electrification program in Morocco as a special case study. The tool is developed from a mathematical model comprising a set of decision variables (location, transport, etc.) that must meet certain constraints and whose optimisation criterion is the minimum cost of the operation and maintenance activity assuming an established quality of service. The main output of the model is the overall cost of the maintenance structure. The best location for the local maintenance headquarters and warehouses in a given region is established, as are the number of maintenance technicians and vehicles required.

Meeting report from the fourth meeting of the Computational Modeling in Biology Network (COMBINE)

This report summarizes the topics and activities of the fourth edition of the annual COMBINE meeting, held in Paris during September 16-20 2013,

Fundaments of the ethical acting in university students

It is urgent that the superior Education in the health area develops in the students a pro-active ethical commitment which is translated into the creation of socio-professional and rational and clarified socio-cultural values.

Importance in the acquisition of the transversal competences in the degree of law

This project aims to clarify the importance of acquiring cross-disciplinary competencies in the Law and Criminology degrees, specifically entrepreneurial capability in order to further students' comprehensive training and complete preparation for the legal and professional sector, thereby fostering students' greater involvement in the development of such competencies.

When the virtual influences reality. The conservation project of the toledo gate in ciudad real (Spain)

The Toledo Gate of Ciudad Real, Spain, constructed between the late 13th and early 14th centuries, is the last remaining portion of a once complete medieval city wall. It represents the long history of the city and constitutes its main heritage symbol, dividing the historic city centre from the later 19th and 20th century expansions. In October 2012, the Town Hall and the Montemadrid Foundation started the conservation works to preserve this important monument. The preliminary phase of this project included an in-depth series of scientific studies which were carried out by a multidisciplinary team focusing on archival research, historic investigations, archaeological excavations as well as material composition analysis and main treatment application tests. As a result of these studies a series of virtual 3D models were created to inform, discuss and study the monument. A first digital model permitted visualization of the gate in the 19th century and how the main entrance to the city was integrated as a fundamental part of the city walls. This virtual reconstruction also became an important part of the campaign to raise awareness among the citizens towards a monument that had remained in the shadows for the last century, isolated in a roundabout after the systematic demolition of the city walls in the late 19th century. Over the last three years and as a result of these archaeological and historic investigations and subsequent virtual models, surprisingly new and interesting data were brought to light thus permitting the establishment and corroboration of a new and updated hypothesis of the Toledo Gate that goes beyond the previous ideas. As a result of these studies a new architectural typology with construction techniques of has been suggested. This paper describes how the results of this continuous and interdisciplinary documentation process have benefitted from a computer graphic reconstruction of the gate. It highlights how virtual reconstruction can be a powerful tool for conservation decision making and awareness raising. Furthermore, the interesting results of the final reconstruction hypothesis convinced the technical team responsible for the conservation to alter some aspects of the final project physical interventions in order to focus on some of the features and conclusions discovered through the virtual model study.

Reproductive aspects of the undulate ray, Raja undulata, from the south coast of Portugal

The maturity of the undulate ray, Raja undulata, one of the most important by-catch elasmobranch species captured in south Portugal, was studied for the first time. Females ranged in total length (TL) from 19.4 to 88.2 cm and males from 23.0 to 83.2 cm. The gonadosomatic index for females was higher during the winter, meaning that this species reproduces during this season. Females matured at significantly larger sizes and older ages than males, with 50% of the females mature at 76.2 cm TL at an age of 8.98 years while 50% maturity for males was achieved at 73.6 cm TL and 7.66 years. Females were mature at 86.3% of the maximum observed size and 69.1% of the maximum observed age while males matured at 88.5% of the maximum observed size and 63.8% of the maximum observed age, making this a very late maturing species, with important consequences in terms of fisheries management and conservation. (c) 2006 Elsevier B.V. All rights reserved.

Population’s knowledge about cerebrovascular accident (stroke) - passers of the square giraldo in Evora

Stroke is the leading cause of death in Portugal and the Alentejo region. Objective: Describe the population's knowledge about risk factors, signs and symptoms of stroke. Methodology: Quantitative and cross-sectional study. Convenience sample of 207 pedestrians with ages between 16 and 86 years old (M=38,85; SD = 18.93). Results: The pathology is known, the most frequently mentioned sources of information are television and friends. Hypercholesterolemia, heart disease and smoking are the risk factors more set out. The most well known signs are numbness and weakness in the hemisphere and dysarthria. Conclusion: It is necessary to strengthen the role of health services in education about stroke. Knowledge displays weaknesses in appreciation of advanced age and diabetes. Noteworthy is the recognition of the risk associated with tobacco consumption and persistence on it.

Attitudes of Elements of the Academic Community in Regard to the Rapid Test of HIV/AIDS

Background: Knowing one’s own seropositivity status of HIV/AIDS is important. Seropositivity can be determined by a rapid HIV/AIDS test. Attitudes towards a rapid test of HIV/AIDS show a predisposition to perform the analysis.