Evaluation of solubility and partition properties of ampicillin-based ionic liquids

In order to overcome the problems associated with low water solubility, and consequently low bioavailability of active pharmaceutical ingredients (APIs), herein we explore a modular ionic liquid synthetic strategy for improved APIs. Ionic liquids containing l-ampicillin as active pharmaceutical ingredient anion were prepared using the methodology developed in our previous work, using organic cations selected from substituted ammonium, phosphonium, pyridinium and methylimidazolium salts, with the intent of enhancing the solubility and bioavailability of l-ampicillin forms. In order to evaluate important properties of the synthesized API-ILs, the water solubility at 25 °C and 37 °C (body temperature) as well as octanol–water partition coefficients (Kow's) and HDPC micelles partition at 25 °C were measured. Critical micelle concentrations (CMC's) in water at 25 °C and 37 °C of the pharmaceutical ionic liquids bearing cations with surfactant properties were also determined from ionic conductivity measurements.

Determination of electricity consumers’ load profiles via weighted evidence accumulation clustering using subsampling

With the electricity market liberalization, the distribution and retail companies are looking for better market strategies based on adequate information upon the consumption patterns of its electricity consumers. A fair insight on the consumers’ behavior will permit the definition of specific contract aspects based on the different consumption patterns. In order to form the different consumers’ classes, and find a set of representative consumption patterns we use electricity consumption data from a utility client’s database and two approaches: Two-step clustering algorithm and the WEACS approach based on evidence accumulation (EAC) for combining partitions in a clustering ensemble. While EAC uses a voting mechanism to produce a co-association matrix based on the pairwise associations obtained from N partitions and where each partition has equal weight in the combination process, the WEACS approach uses subsampling and weights differently the partitions. As a complementary step to the WEACS approach, we combine the partitions obtained in the WEACS approach with the ALL clustering ensemble construction method and we use the Ward Link algorithm to obtain the final data partition. The characterization of the obtained consumers’ clusters was performed using the C5.0 classification algorithm. Experiment results showed that the WEACS approach leads to better results than many other clustering approaches.

Typical load profiles in the smart grid context – a clustering methods comparison

The present research paper presents five different clustering methods to identify typical load profiles of medium voltage (MV) electricity consumers. These methods are intended to be used in a smart grid environment to extract useful knowledge about customer’s behaviour. The obtained knowledge can be used to support a decision tool, not only for utilities but also for consumers. Load profiles can be used by the utilities to identify the aspects that cause system load peaks and enable the development of specific contracts with their customers. The framework presented throughout the paper consists in several steps, namely the pre-processing data phase, clustering algorithms application and the evaluation of the quality of the partition, which is supported by cluster validity indices. The process ends with the analysis of the discovered knowledge. To validate the proposed framework, a case study with a real database of 208 MV consumers is used.

Zonal prices analysis supported by a data mining based methodology

A methodology based on data mining techniques to support the analysis of zonal prices in real transmission networks is proposed in this paper. The mentioned methodology uses clustering algorithms to group the buses in typical classes that include a set of buses with similar LMP values. Two different clustering algorithms have been used to determine the LMP clusters: the two-step and K-means algorithms. In order to evaluate the quality of the partition as well as the best performance algorithm adequacy measurements indices are used. The paper includes a case study using a Locational Marginal Prices (LMP) data base from the California ISO (CAISO) in order to identify zonal prices.

A compositional scheduling framework for digital avionics systems

ARINC specification 653-2 describes the interface between application software and underlying middleware in a distributed real-time avionics system. The real-time workload in this system comprises of partitions, where each partition consists of one or more processes. Processes incur blocking and preemption overheads and can communicate with other processes in the system. In this work we develop compositional techniques for automated scheduling of such partitions and processes. At present, system designers manually schedule partitions based on interactions they have with the partition vendors. This approach is not only time consuming, but can also result in under utilization of resources. In contrast, the technique proposed in this paper is a principled approach for scheduling ARINC-653 partitions and therefore should facilitate system integration.

A Data Mining Framework for Electric Load Profiling

This paper consists in the characterization of medium voltage (MV) electric power consumers based on a data clustering approach. It is intended to identify typical load profiles by selecting the best partition of a power consumption database among a pool of data partitions produced by several clustering algorithms. The best partition is selected using several cluster validity indices. These methods are intended to be used in a smart grid environment to extract useful knowledge about customers’ behavior. The data-mining-based methodology presented throughout the paper consists in several steps, namely the pre-processing data phase, clustering algorithms application and the evaluation of the quality of the partitions. To validate our approach, a case study with a real database of 1.022 MV consumers was used.

A Data-mining-based Methodology to support MV Electricity Customers' Characterization

This paper presents an electricity medium voltage (MV) customer characterization framework supportedby knowledge discovery in database (KDD). The main idea is to identify typical load profiles (TLP) of MVconsumers and to develop a rule set for the automatic classification of new consumers. To achieve ourgoal a methodology is proposed consisting of several steps: data pre-processing; application of severalclustering algorithms to segment the daily load profiles; selection of the best partition, corresponding tothe best consumers’ segmentation, based on the assessments of several clustering validity indices; andfinally, a classification model is built based on the resulting clusters. To validate the proposed framework,a case study which includes a real database of MV consumers is performed.

Load Profiling Tool to Support Smart Grid Operation Scenarios

This paper presents the characterization of high voltage (HV) electric power consumers based on a data clustering approach. The typical load profiles (TLP) are obtained selecting the best partition of a power consumption database among a pool of data partitions produced by several clustering algorithms. The choice of the best partition is supported using several cluster validity indices. The proposed data-mining (DM) based methodology, that includes all steps presented in the process of knowledge discovery in databases (KDD), presents an automatic data treatment application in order to preprocess the initial database in an automatic way, allowing time saving and better accuracy during this phase. These methods are intended to be used in a smart grid environment to extract useful knowledge about customers’ consumption behavior. To validate our approach, a case study with a real database of 185 HV consumers was used.

Predictivity Strength of the Spatial Variability of Phenanthrene Sorption Across Two Sandy Loam Fields

Sorption is commonly agreed to be the major process underlying the transport and fate of polycyclic aromatic hydrocarbons (PAHs) in soils. However, there is still a scarcity of studies focusing on spatial variability at the field scale in particular. In order to investigate the variation in the field of phenanthrene sorption, bulk topsoil samples were taken in a 15 × 15-m grid from the plough layer in two sandy loam fields with different texture and organic carbon (OC) contents (140 samples in total). Batch experiments were performed using the adsorption method. Values for the partition coefficient K d (L kg−1) and the organic carbon partition coefficient K OC (L kg−1) agreed with the most frequently used models for PAH partitioning, as OC revealed a higher affinity for sorption. More complex models using different OC compartments, such as non-complexed organic carbon (NCOC) and complexed organic carbon (COC) separately, performed better than single K OC models, particularly for a subset including samples with Dexter n < 10 and OC <0.04 kg kg−1. The selected threshold revealed that K OC-based models proved to be applicable for more organic fields, while two-component models proved to be more accurate for the prediction of K d and retardation factor (R) for less organic soils. Moreover, OC did not fully reflect the changes in phenanthrene retardation in the field with lower OC content (Faardrup). Bulk density and available water content influenced the phenanthrene transport mechanism phenomenon.

Análise do ciclo de vida da produção do butanol

Este trabalho teve como objetivo avaliar e comparar os impactes ambientais da produção do butanol considerando três processos produtivos: um que usa fontes fósseis e dois que usam fontes renováveis, nomeadamente palha de trigo e milho. Para o primeiro caso considerouse o processo oxo e os restantes usaram o processo de produção ABE (acetona, butanol e etanol). Na primeira etapa estudaram-se e descreveram-se os diferentes processos referidos. A análise do ciclo de vida foi depois aplicada efetuando as quatro fases nomeadamente definição do âmbito e objetivo, inventário, avaliação de impactes e interpretação dos resultados obtidos. O inventário foi efetuado tendo em conta a bibliografia existente sobre estes processos e com o auxílio da base de dados Ecoinvent Versão3 Database™. Na avaliação de impactes utilizou-se o método Impact 2002 + (Endpoint). Concluiu-se que a produção do butanol pelo processo ABE utilizando o milho é a que apresenta maior impacte ambiental e a que produção do butanol pelo processo ABE usando a palha de trigo é a que apresenta um menor impacte ambiental, quando o processo de alocação foi efetuado tendo em conta as massas de todos os produtos produzidos em cada processo. Foi efetuada uma análise de sensibilidade para a produção de butanol usando palha de trigo e milho relativa aos dados de menor qualidade. No processo da palha de trigo fez-se variar a quantidade de material enviado para a digestão anaeróbia e a quantidade de efluente produzida. No processo relativo ao milho apenas se fez variar a quantidade de efluente produzida. As variações tiveram um efeito pouco significativo (<1,3%) no impacte global. Por fim, efetuou-se o cálculo dos impactes considerando uma alocação económica que foi executada tendo em conta os preços de venda para o ano 2013 na Europa, para os produtos produzidos pelos diferentes processos. Considerando o valor económico verificou-se um aumento do peso relativo ao butanol, o que fez aumentar significativamente o impacte ambiental. Isto deve-se em grande parte ao baixo valor económico dos gases formados nos processos de fermentação. Se na alocação por massa for retirada a massa destes gases os resultados obtidos são similares nos dois tipos de alocação.

Redes Neuronais Artificiais na Otimização do Processo de Digestão Anaeróbia - Aplicação a uma ETAR da AdCL

Numa sociedade com elevado consumo energético, a dependência de combustíveis fósseis em evidente diminuição de disponibilidades é um tema cada vez mais preocupante, assim como a poluição atmosférica resultante da sua utilização. Existe, portanto, uma necessidade crescente de recorrer a energias renováveis e promover a otimização e utilização de recursos. A digestão anaeróbia (DA) de lamas é um processo de estabilização de lamas utilizado nas Estações de Tratamento de Águas Residuais (ETAR) e tem, como produtos finais, a lama digerida e o biogás. Maioritariamente constituído por gás metano, o biogás pode ser utilizado como fonte de energia, reduzindo, deste modo, a dependência energética da ETAR e a emissão de gases com efeito de estufa para a atmosfera. A otimização do processo de DA das lamas é essencial para o aumento da produção de biogás. No presente relatório de estágio, as Redes Neuronais Artificiais (RNA) foram aplicadas ao processo de DA de lamas de ETAR. As RNA são modelos simplificados inspirados no funcionamento das células neuronais humanas e que adquirem conhecimento através da experiência. Quando a RNA é criada e treinada, produz valores de output aproximadamente corretos para os inputs fornecidos. Uma vez que as DA são um processo bastante complexo, a sua otimização apresenta diversas dificuldades. Foi esse o motivo para recorrer a RNA na otimização da produção de biogás nos digestores das ETAR de Espinho e de Ílhavo da AdCL, utilizando o software NeuralToolsTM da PalisadeTM, contribuindo, desta forma, para a compreensão do processo e do impacto de algumas variáveis na produção de biogás.