Ligand-Induced structural changes in TEM‑1 probed by molecular dynamics and relative binding free energy calculations

The TEM family of enzymes has had a crucial impact on the pharmaceutical industry due to their important role in antibiotic resistance. Even with the latest technologies in structural biology and genomics, no 3D structure of a TEM- 1/antibiotic complex is known previous to acylation. Therefore, the comprehension of their capability in acylate antibiotics is based on the protein macromolecular structure uncomplexed. In this work, molecular docking, molecular dynamic simulations, and relative free energy calculations were applied in order to get a comprehensive and thorough analysis of TEM-1/ampicillin and TEM-1/amoxicillin complexes. We described the complexes and analyzed the effect of ligand binding on the overall structure. We clearly demonstrate that the key residues involved in the stability of the ligand (hot-spots) vary with the nature of the ligand. Structural effects such as (i) the distances between interfacial residues (Ser70−Oγ and Lys73−Nζ, Lys73−Nζ and Ser130−Oγ, and Ser70−Oγ−Ser130−Oγ), (ii) side chain rotamer variation (Tyr105 and Glu240), and (iii) the presence of conserved waters can be also influenced by ligand binding. This study supports the hypothesis that TEM-1 suffers structural modifications upon ligand binding.

Energy storage systems (sistemas de armazenamento de energia)

O armazenamento de energia pode ser efetuado sobre cinco categorias, designadamente, elétrica, eletromecânica, mecânica, térmica e química. Contudo, o assunto aqui debatido é sobre meios de armazenamento de energia elétrica, sendo que o armazenamento de eletricidade é usualmente efetuado recorrendo a outros géneros de energia, tais como, química, mecânica, térmica ou, até, em energia potencial. [1]. Há nos dias de hoje uma crescente preocupação na forma como é gerido o setor elétrico, uma vez que este implica um elevado impacto ambiental. Neste sentido tem havido algumas alterações, nomeadamente, no que diz respeito à produção de energia elétrica. A utilização de energias renováveis estão cada vez mais presentes na produção de eletricidade (Figura 1), pois permitem diminuir de forma indireta a utilização dos combustíveis fósseis, sendo esta a principal vantagem face às centrais de produção convencionais.

A general overview on hybrid and electric vehicles

The economical and environment impacts of fossil energies increased the interest for hybrid, battery and fuel-cell electric vehicles. Several demanding engineering challenges must be faced, motivated by different physical domains integration. This paper aims to present an overview on hybrid (HEV) and electric vehicles (EV) basic structures and features. In addition, it will try to point out some of the most relevant challenges to overcome for HEV and EV may be a solid option for the mobility issue. New developments in energy storage devices and energy management systems (EMS) are crucial to achieve this goal.

Estudo de uma central hidroeléctrica com base em turbina hidráulica reversível

Trabalho Final de Mestrado para obtenção do grau de Mestre em Engenharia Mecânica

Energy-conscious tasks partitioning onto a heterogeneous multi-core platform

Modern multicore processors for the embedded market are often heterogeneous in nature. One feature often available are multiple sleep states with varying transition cost for entering and leaving said sleep states. This research effort explores the energy efficient task-mapping on such a heterogeneous multicore platform to reduce overall energy consumption of the system. This is performed in the context of a partitioned scheduling approach and a very realistic power model, which improves over some of the simplifying assumptions often made in the state-of-the-art. The developed heuristic consists of two phases, in the first phase, tasks are allocated to minimise their active energy consumption, while the second phase trades off a higher active energy consumption for an increased ability to exploit savings through more efficient sleep states. Extensive simulations demonstrate the effectiveness of the approach.

Simulation model for driving dynamics, energy use and power supply

Dissertação para obtenção do grau de Mestre em Engenharia Electrotécnica Ramo de Energia

Distributed MPC for Thermal Comfort and Load Allocation with Energy Auction

This paper presents a distributed predictive control methodology for indoor thermal comfort that optimizes the consumption of a limited shared energy resource using an integrated demand-side management approach that involves a power price auction and an appliance loads allocation scheme. The control objective for each subsystem (house or building) aims to minimize the energy cost while maintaining the indoor temperature inside comfort limits. In a distributed coordinated multi-agent ecosystem, each house or building control agent achieves its objectives while sharing, among them, the available energy through the introduction of particular coupling constraints in their underlying optimization problem. Coordination is maintained by a daily green energy auction bring in a demand-side management approach. Also the implemented distributed MPC algorithm is described and validated with simulation studies.

Optimizing the renewable generation mix in the Portuguese power system based on temporal and spatial diversity

Renewable energy sources (RES) have unique characteristics that grant them preference in energy and environmental policies. However, considering that the renewable resources are barely controllable and sometimes unpredictable, some challenges are faced when integrating high shares of renewable sources in power systems. In order to mitigate this problem, this paper presents a decision-making methodology regarding renewable investments. The model computes the optimal renewable generation mix from different available technologies (hydro, wind and photovoltaic) that integrates a given share of renewable sources, minimizing residual demand variability, therefore stabilizing the thermal power generation. The model also includes a spatial optimization of wind farms in order to identify the best distribution of wind capacity. This methodology is applied to the Portuguese power system.

Towards network-on-chip agreement protocols

Demands for functionality enhancements, cost reductions and power savings clearly suggest the introduction of multiand many-core platforms in real-time embedded systems. However, when compared to uni-core platforms, the manycores experience additional problems, namely the lack of scalable coherence mechanisms and the necessity to perform migrations. These problems have to be addressed before such systems can be considered for integration into the realtime embedded domain. We have devised several agreement protocols which solve some of the aforementioned issues. The protocols allow the applications to plan and organise their future executions both temporally and spatially (i.e. when and where the next job will be executed). Decisions can be driven by several factors, e.g. load balancing, energy savings and thermal issues. All presented protocols are analytically described, with the particular emphasis on their respective real-time behaviours and worst-case performance. The underlying assumptions are based on the multi-kernel model and the message-passing paradigm, which constitutes the communication between the interacting instances.

Technical and economic assessment of energy from Tidal Currents

The present work aims to study the feasibility of deploying a farm of sea current turbines for electricity generation in Portugal. An approach to the tides, which are they, how they are formed, its prediction, is held. It is also conducted a study about the energy of sea currents and it is presented some technology about ocean currents too. A model of tidal height and velocity of the currents it is also developed. The energy produced by a hypothetical park, built in Sines (Portugal), is calculated and afterwards, an economical assessment is performed for two possible scenarios and a sensitivity analysis of NVP (Net Present Value) and LCOE (Levelized Cost of Energy) is figured. The conclusions about the feasibility of the projects are also presented. Despite being desired due to its predictability, this energy source is not yet economically viable as it is in an initial state of development. To push investment in this technology a feed-in tariff of, at least €200/MWh, should be considered.

Renewable energy in Islands: an integrated proposal for electricity generation and transports

The purpose of this article is to analyse and evaluate the economical, energetic and environmental impacts of the increasing penetration of renewable energies and electrical vehicles in isolated systems, such as Terceira Island in Azores and Madeira Island. Given the fact that the islands are extremely dependent on the importation of fossil fuels - not only for the production of energy, but also for the transportation’s sector – it’s intended to analyse how it is possible to reduce that dependency and determine the resultant reduction of pollutant gas emissions. Different settings have been analysed - with and without the penetration of EVs. The Terceira Island is an interesting case study, where EVs charging during off-peak hours could allow an increase in geothermal power, limited by the valley of power demand. The percentage of renewable energy in the electric power mix could reach the 74% in 2030 while at the same time, it is possible to reduce the emissions of pollutant gases in 45% and the purchase of fossil fuels in 44%. In Madeira, apart from wind, solar and small hydro power, there are not so many endogenous resources and the Island’s emission factor cannot be so reduced as in Terceira. Although, it is possible to reduce fossil fuels imports and emissions in 1.8% in 2030 when compared with a BAU scenario with a 14% of the LD fleet composed by EVs.

Renewable energy in Islands: an integrated proposal for electricity generation and transports

The purpose of this article is to analyse and evaluate the economical, energetic and environmental impacts of the increasing penetration of renewable energies and electrical vehicles in isolated systems, such as Terceira Island in Azores and Madeira Island. Given the fact that the islands are extremely dependent on the importation of fossil fuels - not only for the production of energy, but also for the transportation’s sector – it’s intended to analyse how it is possible to reduce that dependency and determine the resultant reduction of pollutant gas emissions. Different settings have been analysed - with and without the penetration of EVs. The Terceira Island is an interesting case study, where EVs charging during off-peak hours could allow an increase in geothermal power, limited by the valley of power demand. The percentage of renewable energy in the electric power mix could reach the 74% in 2030 while at the same time, it is possible to reduce the emissions of pollutant gases in 45% and the purchase of fossil fuels in 44%. In Madeira, apart from wind, solar and small hydro power, there are not so many endogenous resources and the Island’s emission factor cannot be so reduced as in Terceira. Although, it is possible to reduce fossil fuels imports and emissions in 1.8% in 2030 when compared with a BAU scenario with a 14% of the LD fleet composed by EVs.

Technical and economic assessment of energy from Tidal Currents

The present work aims to study the feasibility of deploying a farm of sea current turbines for electricity generation in Portugal. An approach to the tides, which are they, how they are formed, its prediction, is held. It is also conducted a study about the energy of sea currents and it is presented some technology about ocean currents too. A model of tidal height and velocity of the currents it is also developed. The energy produced by a hypothetical park, built in Sines (Portugal), is calculated and afterwards, an economical assessment is performed for two possible scenarios and a sensitivity analysis of NVP (Net Present Value) and LCOE (Levelized Cost of Energy) is figured. The conclusions about the feasibility of the projects are also presented. Despite being desired due to its predictability, this energy source is not yet economically viable as it is in an initial state of development. To push investment in this technology a feed-in tariff of, at least €200/MWh, should be considered.

On a generalized Laguerre operational matrix of fractional integration

A new operationalmatrix of fractional integration of arbitrary order for generalized Laguerre polynomials is derived.The fractional integration is described in the Riemann-Liouville sense.This operational matrix is applied together with generalized Laguerre tau method for solving general linearmultitermfractional differential equations (FDEs).Themethod has the advantage of obtaining the solution in terms of the generalized Laguerre parameter. In addition, only a small dimension of generalized Laguerre operational matrix is needed to obtain a satisfactory result. Illustrative examples reveal that the proposedmethod is very effective and convenient for linear multiterm FDEs on a semi-infinite interval.

Enhanced Race-to-halt: a leakage-aware energy management approach for dynamic priority systems

With progressing CMOS technology miniaturization, the leakage power consumption starts to dominate the dynamic power consumption. The recent technology trends have equipped the modern embedded processors with the several sleep states and reduced their overhead (energy/time) of the sleep transition. The dynamic voltage frequency scaling (DVFS) potential to save energy is diminishing due to efficient (low overhead) sleep states and increased static (leakage) power consumption. The state-of-the-art research on static power reduction at system level is based on assumptions that cannot easily be integrated into practical systems. We propose a novel enhanced race-to-halt approach (ERTH) to reduce the overall system energy consumption. The exhaustive simulations demonstrate the effectiveness of our approach showing an improvement of up to 8 % over an existing work.