ImpuR: A Collection of Diagnostic Tools Developed in R in the Context of Peak Impurity Detection in HPLC-DAD but Potentially Useful with Other Types of Time-Intensity Matrices

HPLC-DAD systems generate time intensity (absorbance) matrices called spectrochromatograms. Under good experimental conditions, spectro-chromatograms of elution peaks of pure analytes are bilinear products of a time peak and an absorbance spectrum. Co-eluting impurities create deviations from this pure bilinear structure. Unfortunately, other imperfections, such as scan averaging, large optical windows, imperfect lamp alignment, mobile phase fluctuations, etc. also create departures from the pure bilinear structure. This makes it hard to distinguish low concentration impurities from artifacts and hampers safe detection of contaminants. There are two main ways to deal with such artifacts: removal and simulation, and ImpuR provides R functions to do both and to integrate both approaches. More specifically, ImpuR provides a set of tools to explore time-intensity matrices with respect to their bilinear structure and departures from it. It includes exploratory graphs for bilinear matrices (bilinear residual graphs and singular value decompositions), spectral dissimilarity curves via window-evolving factor analysis with heteroscedasticity correction and the sine method, methods for removal of artifacts, and a comprehensive simulation tool to assess the impact of potential artifacts and to allow for the construction of guide curves for use with the sine method.

FPGA implementation of a 32x32 autocorrelator array for analysis of fast image series

With the evolving technology in CMOS integration, new classes of 2D-imaging detectors have recently become available. In particular, single photon avalanche diode (SPAD) arrays allow detection of single photons at high acquisition rates (\geq 100 kfps), which is about two orders of magnitude higher than with currently available cameras. Here we demonstrate the use of a SPAD array for imaging fluorescence correlation spectroscopy (imFCS), a tool to create 2D maps of the dynamics of fluorescent molecules inside living cells. Time-dependent fluorescence fluctuations, due to fluorophores entering and leaving the observed pixels, are evaluated by means of autocorrelation analysis. The multi-{\tau} correlation algorithm is an appropriate choice, as it does not rely on the full data set to be held in memory. Thus, this algorithm can be efficiently implemented in custom logic. We describe a new implementation for massively parallel multi-{\tau} correlation hardware. Our current implementation can calculate 1024 correlation functions at a resolution of 10{\mu}s in real-time and therefore correlate real-time image streams from high speed single photon cameras with thousands of pixels.Comment: 10 pages, 7 figure

Improving elevation perception with a tool for image-guided head-related transfer function selection

This paper proposes an image-guided HRTF selection procedure that exploits the relation between features of the pinna shape and HRTF notches. Using a 2D image of a subject's pinna, the procedure selects from a database the HRTF set that best fits the anthropometry of that subject. The proposed procedure is designed to be quickly applied and easy to use for a user without previous knowledge on binaural audio technologies. The entire process is evaluated by means of an auditory model for sound localization in the mid-sagittal plane available from previous literature. Using virtual subjects from a HRTF database, a virtual experiment is implemented to assess the vertical localization performance of the database subjects when they are provided with HRTF sets selected by the proposed procedure. Results report a statistically significant improvement in predictions of localization performance for selected HRTFs compared to KEMAR HRTF which is a commercial standard in many binaural audio solutions; moreover, the proposed analysis provides useful indications to refine the perceptually-motivated metrics that guides the selection

UHF diagnostic monitoring techniques for power transformers

This paper initially gives an introduction to ultra-high frequency (UHF) partial discharge monitoring techniques and their application to gas insulated substations. Recent advances in the technique, covering its application to power transformers, are then discussed and illustrated by means of four site trials. Mounting and installation of the UHF sensors is described and measurements of electrical discharges inside transformers are presented in a range of formats, demonstrating the potential of the UHF method. A procedure for locating sources of electrical discharge is described and demonstrated by means of a practical example where a source of sparking on a tap changer lead was located to within 15 cm. Progress with the development of a prototype on-line monitoring and diagnostic system is reviewed and possible approaches to its utilization are discussed. New concepts for enhancing the capabilities of the UHF technique are presented, including the possibility of monitoring the internal mechanical integrity of plant. The research presented provides sufficient evidence to justify the installation of robust UHF sensors on transformer tanks to facilitate their monitoring if and when required during the service lifetime

Intelligent Radio Spectrum Monitoring

[EN] Spectrum monitoring is an important part of the radio spectrum management process, providing feedback on the workflow that allows for our current wirelessly interconnected lifestyle. The constantly increasing number of users and uses of wireless technologies is pushing the limits and capabilities of the existing infrastructure, demanding new alternatives to manage and analyse the extremely large volume of data produced by existing spectrum monitoring networks. This study addresses this problem by proposing an information management system architecture able to increase the analytical level of a spectrum monitoring measurement network. This proposal includes an alternative to manage the data produced by such network, methods to analyse the spectrum data and to automate the data gathering process. The study was conducted employing system requirements from the Brazilian National Telecommunications Agency and related functional concepts were aggregated from the reviewed scientific literature and publications from the International Telecommunication Union. The proposed solution employs microservice architecture to manage the data, including tasks such as format conversion, analysis, optimization and automation. To enable efficient data exchange between services, we proposed the use of a hierarchical structure created using the HDF5 format. The suggested architecture was partially implemented as a pilot project, which allowed to demonstrate the viability of presented ideas and perform an initial refinement of the proposed data format and analytical algorithms. The results pointed to the potential of the solution to solve some of the limitations of the existing spectrum monitoring workflow. The proposed system may play a crucial role in the integration of the spectrum monitoring activities into open data initiatives, promoting transparency and data reusability for this important public service.[ES] El control y análisis de uso del espectro electromagnético, un servicio conocido como comprobación técnica del espectro, es una parte importante del proceso de gestión del espectro de radiofrecuencias, ya que proporciona la información necesaria al flujo de trabajo que permite nuestro estilo de vida actual, interconectado e inalámbrico. El número cada vez más grande de usuarios y el creciente uso de las tecnologías inalámbricas amplían las demandas sobre la infraestructura existente, exigiendo nuevas alternativas para administrar y analizar el gran volumen de datos producidos por las estaciones de medición del espectro. Este estudio aborda este problema al proponer una arquitectura de sistema para la gestión de información capaz de aumentar la capacidad de análisis de una red de equipos de medición dedicados a la comprobación técnica del espectro. Esta propuesta incluye una alternativa para administrar los datos producidos por dicha red, métodos para analizar los datos recolectados, así como una propuesta para automatizar el proceso de recopilación. El estudio se realizó teniendo como referencia los requisitos de la Agencia Nacional de Telecomunicaciones de Brasil, siendo considerados adicionalmente requisitos funcionales relacionados descritos en la literatura científica y en las publicaciones de la Unión Internacional de Telecomunicaciones. La solución propuesta emplea una arquitectura de microservicios para la administración de datos, incluyendo tareas como la conversión de formatos, análisis, optimización y automatización. Para permitir el intercambio eficiente de datos entre servicios, sugerimos el uso de una estructura jerárquica creada usando el formato HDF5. Esta arquitectura se implementó parcialmente dentro de un proyecto piloto, que permitió demostrar la viabilidad de las ideas presentadas, realizar mejoras en el formato de datos propuesto y en los algoritmos analíticos. Los resultados señalaron el potencial de la solución para resolver algunas de las limitaciones del tradicional flujo de trabajo de comprobación técnica del espectro. La utilización del sistema propuesto puede mejorar la integración de las actividades e impulsar iniciativas de datos abiertos, promoviendo la transparencia y la reutilización de datos generados por este importante servicio público[CA] El control i anàlisi d'ús de l'espectre electromagnètic, un servei conegut com a comprovació tècnica de l'espectre, és una part important del procés de gestió de l'espectre de radiofreqüències, ja que proporciona la informació necessària al flux de treball que permet el nostre estil de vida actual, interconnectat i sense fils. El número cada vegada més gran d'usuaris i el creixent ús de les tecnologies sense fils amplien la demanda sobre la infraestructura existent, exigint noves alternatives per a administrar i analitzar el gran volum de dades produïdes per les xarxes d'estacions de mesurament. Aquest estudi aborda aquest problema en proposar una arquitectura de sistema per a la gestió d'informació capaç d’augmentar la capacitat d’anàlisi d'una xarxa d'equips de mesurament dedicats a la comprovació tècnica de l'espectre. Aquesta proposta inclou una alternativa per a administrar les dades produïdes per aquesta xarxa, mètodes per a analitzar les dades recol·lectades, així com una proposta per a automatitzar el procés de recopilació. L'estudi es va realitzar tenint com a referència els requisits de l'Agència Nacional de Telecomunicacions del Brasil, sent considerats addicionalment requisits funcionals relacionats descrits en la literatura científica i en les publicacions de la Unió Internacional de Telecomunicacions. La solució proposada empra una arquitectura de microserveis per a l'administració de dades, incloent tasques com la conversió de formats, anàlisi, optimització i automatització. Per a permetre l'intercanvi eficient de dades entre serveis, suggerim l'ús d'una estructura jeràrquica creada usant el format HDF5. Aquesta arquitectura es va implementar parcialment dins d'un projecte pilot, que va permetre demostrar la viabilitat de les idees presentades, realitzar millores en el format de dades proposat i en els algorismes analítics. Els resultats van assenyalar el potencial de la solució per a resoldre algunes de les limitacions del tradicional flux de treball de comprovació tècnica de l'espectre. La utilització del sistema proposat pot millorar la integració de les activitats i impulsar iniciatives de dades obertes, promovent la transparència i la reutilització de dades generades per aquest important servei públicSantos Lobão, F. (2019). Intelligent Radio Spectrum Monitoring. http://hdl.handle.net/10251/128850TFG

Innovative solutions for enhanced illicit drugs profiling using comprehensive two-dimensional gas chromatography and mass spectrometry technologies

This project aimed to determine whether comprehensive two-dimensional gas chromatography is suitable for routine use in a forensic laboratory for profiling illicit substances. Abstract Analytical gas chromatographic methods usually rely upon a single dimension (ie single column) high-resolution capillary GC column to provide separation of target analyses. When a matrix is especially complex, the ability of the column to provide adequate resolution is severely compromised. Often, mass spectrometry may provide the ability to uniquely measure the target compounds, but if the matrix generates similar ions to the target compounds, this can lead to confounded analysis. Mass spectrometry offers many potential solutions to the lack of resolution of GC; however, this usually involves selected ion monitoring or similar approaches. This removes the important opportunity to use a full-scan spectrum to match with a database library. In the present project, high-resolution GC analysis using the multidimensional separation method of comprehensive two-dimensional gas chromatography (GCxGC) was used to provide sufficient resolution to allow full-scan acquisition with library confirmation of illicit drug identity. It was shown that the WADA criteria for a selection of test steroid compounds could be suitably met under this new high-resolution environment. In addition, analysis of samples of ecstasy were profiled and all synthetic residues involved in the synthesis of ecstasy could be fully resolved and located in the 2D separation space with excellent library matches, even though the underlying matrix was very complicated and would have strongly interfered in a 1D separation analysis. This will allow facile profiling of the reaction procedure for ecstasy synthesis

Marquette Interchange Perpetual Pavement Instrumentation Project - Phase II

This report presents findings from the second phase of the Marquette Interchange instrumentation project and focuses on the maintenance of data recordation systems, development of computer programs to analyze data, and development of data packages for redistribution. The product of this research is a set of data which includes dynamic pavement response due to live traffic, vehicle information (weight, class, length, et cetera), and environmental data for the test site. The tasks within this project were not oriented for findings regarding pavement performance, but important and helpful conclusions can be drawn for similar future projects. The recordation systems have been maintained and recordation has been continuous. A handful of sensors did require attention and only a fraction of the critical strain sensors have ceased to function, making the project a success. The results of the computer programs written to analyze data show that reasonable accuracy has been achieved. Future work can help to generate more intricate programming making the processes more accurate

Identifying metabolites by integrating metabolome databases with mass spectrometry cheminformatics.

Novel metabolites distinct from canonical pathways can be identified through the integration of three cheminformatics tools: BinVestigate, which queries the BinBase gas chromatography-mass spectrometry (GC-MS) metabolome database to match unknowns with biological metadata across over 110,000 samples; MS-DIAL 2.0, a software tool for chromatographic deconvolution of high-resolution GC-MS or liquid chromatography-mass spectrometry (LC-MS); and MS-FINDER 2.0, a structure-elucidation program that uses a combination of 14 metabolome databases in addition to an enzyme promiscuity library. We showcase our workflow by annotating N-methyl-uridine monophosphate (UMP), lysomonogalactosyl-monopalmitin, N-methylalanine, and two propofol derivatives