Phosphonate and quinoxaline cavitands for molecular recognition and sensing

In the last decade, phosphonate and quinoxaline cavitand have been extensively studied, highlighting their outstanding recognition properties. Their successful applications in material science and sensing open the way to new potential applications, such as border security, environmental monitoring and chiral recognition. The present thesis explores the recognition properties of phosphonate and quinoxaline cavitands towards new targets, for molecular recognition and sensing applications. Chapter 2 highlights the enantioselective behavior of phosphonate cavitands towards chiral guests in the solid state and in solution. Phosphonate cavitands were exploited for the molecular recognition of L-lactic acid (chapter 3), a widespread natural molecule which offer multiple potential applications, and a human sweat marker used for the detection of human presence (chapter 4). The second part is devoted to sensing applications of quinoxaline cavitands. Chapter 5 describes the use of QxCav for the preconcentration of drugs precursors, while chapter 6 reports the design, synthesis and grafting of a rigidified EtQxBox on a silicon wafer.

Is routine hospital episode data sufficient for identifying individuals with chronic kidney disease? : A comparison study with laboratory data

© The Author(s) 2014. Acknowledgements We thank the Information Services Division, Scotland, who provided the SMR01 data, and NHS Grampian, who provided the biochemistry data. We also thank the University of Aberdeen’s Data Management Team. Funding This work was supported by the Chief Scientists Office for Scotland (grant no. CZH/4/656).

A Finite Element Numerical Algorithm for Modelling and Data Fitting in Complex Systems

Numerical modelling methodologies are important by their application to engineering and scientific problems, because there are processes where analytical mathematical expressions cannot be obtained to model them. When the only available information is a set of experimental values for the variables that determine the state of the system, the modelling problem is equivalent to determining the hyper-surface that best fits the data. This paper presents a methodology based on the Galerkin formulation of the finite elements method to obtain representations of relationships that are defined a priori, between a set of variables: y = z(x1, x2,...., xd). These representations are generated from the values of the variables in the experimental data. The approximation, piecewise, is an element of a Sobolev space and has derivatives defined in a general sense into this space. The using of this approach results in the need of inverting a linear system with a structure that allows a fast solver algorithm. The algorithm can be used in a variety of fields, being a multidisciplinary tool. The validity of the methodology is studied considering two real applications: a problem in hydrodynamics and a problem of engineering related to fluids, heat and transport in an energy generation plant. Also a test of the predictive capacity of the methodology is performed using a cross-validation method.

Ferramentas open source de Data Mining

Em época de crise financeira, as ferramentas open source de data mining representam uma nova tendência na investigação, educação e nas aplicações industriais, especialmente para as pequenas e médias empresas. Com o software open source, estas podem facilmente iniciar um projeto de data mining usando as tecnologias mais recentes, sem se preocuparem com os custos de aquisição das mesmas, podendo apostar na aprendizagem dos seus colaboradores. Os sistemas open source proporcionam o acesso ao código, facilitando aos colaboradores a compreensão dos sistemas e algoritmos e permitindo que estes o adaptem às necessidades dos seus projetos. No entanto, existem algumas questões inerentes ao uso deste tipo de ferramenta. Uma das mais importantes é a diversidade, e descobrir, tardiamente, que a ferramenta escolhida é inapropriada para os objetivos do nosso negócio pode ser um problema grave. Como o número de ferramentas de data mining continua a crescer, a escolha sobre aquela que é realmente mais apropriada ao nosso negócio torna-se cada vez mais difícil. O presente estudo aborda um conjunto de ferramentas de data mining, de acordo com as suas características e funcionalidades. As ferramentas abordadas provém da listagem do KDnuggets referente a Software Suites de Data Mining. Posteriormente, são identificadas as que reúnem melhores condições de trabalho, que por sua vez são as mais populares nas comunidades, e é feito um teste prático com datasets reais. Os testes pretendem identificar como reagem as ferramentas a cenários diferentes do tipo: performance no processamento de grandes volumes de dados; precisão de resultados; etc. Nos tempos que correm, as ferramentas de data mining open source representam uma oportunidade para os seus utilizadores, principalmente para as pequenas e médias empresas, deste modo, os resultados deste estudo pretendem ajudar no processo de tomada de decisão relativamente às mesmas.

U.S. policy toward Panama, 1903-present : questions of recognition and diplomatic relations and instances of U.S. intervention.

"Reprint from the Department of State Bulletin, April 22, 1974. Research Project no. 1066c (Revised)."

RSV test monitoring and data publication - Renault R20TS-to-Calspan RSV 75 degree right side impact at Renault. Final report.

National Highway Traffic Safety Administration, Washington, D.C.

RSV test monitoring and data publication - Renault R20TS-to-Calspan RSV 75 degree left side impact at Peugeot. Final report.

National Highway Traffic Safety Administration, Washington, D.C.

RSV test monitoring and data publication - results of European performance and handling tests on the Calspan RSV. Final report.

National Highway Traffic Safety Administration, Washington, D.C.