Multivariate analyses of UV-Vis absorption spectral data from cachaca wood extracts: a model to classify aged Brazilian cachacas according to the wood species used

Multivariate analyses of UV-Vis spectral data from cachaca wood extracts provide a simple and robust model to classify aged Brazilian cachacas according to the wood species used in the maturation barrels. The model is based on inspection of 93 extracts of oak and different Brazilian wood species by a non-aged cachaca used as an extraction solvent. Application of PCA (Principal Components Analysis) and HCA (Hierarchical Cluster Analysis) leads to identification of 6 clusters of cachaca wood extracts (amburana, amendoim, balsamo, castanheira, jatoba, and oak). LDA (Linear Discriminant Analysis) affords classification of 10 different wood species used in the cachaca extracts (amburana, amendoim, balsamo, cabreuva-parda, canela-sassafras, castanheira, jatoba, jequitiba-rosa, louro-canela, and oak) with an accuracy ranging from 80% (amendoim and castanheira) to 100% (balsamo and jequitiba-rosa). The methodology provides a low-cost alternative to methods based on liquid chromatography and mass spectrometry to classify cachacas aged in barrels that are composed of different wood species.

Composition and antioxidant activity of honey from Africanized and stingless bees in Alagoas (Brazil): a multivariate analysis

The purpose of this study was to evaluate the antioxidant activity of honey from different entomological sources which were harvested in the dry season of 2008-2009 from distinct mesoregions of the State of Alagoas in the North East of Brazil. Honey produced by five different species of bees, even from the same region and season, showed a statistically significant difference (p <0.05) in the content of phenols, flavonoids and antioxidants, with higher levels of these compounds found in honey produced by Plebeia spp. and A. mellifera. Honey from stingless bees was quite different from that of A. mellifera, especially from the Plebeia spp. A dendrogram of the five species of bees showed the formation of 3 groups, one being formed by Apis mellifera, one by the genus Melipona (M. subnitida, M. quadrifasciata and M. scutellaris) and another formed by Plebeia spp.

PXRF and multivariate statistics analysis of pre-colonial pottery from northeast of Brazil

Portable system of energy dispersive X-ray fluorescence was used to determine the elemental composition of 68 pottery fragments from Sambaqui do Bacanga, an archeological site in Sao Luis, Maranhao, Brazil. This site was occupied from 6600 BP until 900 BP. By determining the element chemical composition of those fragments, it was possible to verify the existence of engobe in 43 pottery fragments. Obtained from two-dimensional graphs and hierarchical cluster analysis performed in fragments of stratigraphies from surface and 113-cm level, and 10 to 20, 132 and 144-cm level, it was possible to group these fragments in five distinct groups, according to their stratigraphies. The results of data grouping (two-dimensional graphics) are in agreement with hierarchical cluster analysis by Ward method. Copyright (C) 2011 John Wiley & Sons, Ltd.

Multivariate gene expression analysis reveals functional connectivity changes between normal/tumoral prostates

Abstract Background Prostate cancer is a leading cause of death in the male population, therefore, a comprehensive study about the genes and the molecular networks involved in the tumoral prostate process becomes necessary. In order to understand the biological process behind potential biomarkers, we have analyzed a set of 57 cDNA microarrays containing ~25,000 genes. Results Principal Component Analysis (PCA) combined with the Maximum-entropy Linear Discriminant Analysis (MLDA) were applied in order to identify genes with the most discriminative information between normal and tumoral prostatic tissues. Data analysis was carried out using three different approaches, namely: (i) differences in gene expression levels between normal and tumoral conditions from an univariate point of view; (ii) in a multivariate fashion using MLDA; and (iii) with a dependence network approach. Our results show that malignant transformation in the prostatic tissue is more related to functional connectivity changes in their dependence networks than to differential gene expression. The MYLK, KLK2, KLK3, HAN11, LTF, CSRP1 and TGM4 genes presented significant changes in their functional connectivity between normal and tumoral conditions and were also classified as the top seven most informative genes for the prostate cancer genesis process by our discriminant analysis. Moreover, among the identified genes we found classically known biomarkers and genes which are closely related to tumoral prostate, such as KLK3 and KLK2 and several other potential ones. Conclusion We have demonstrated that changes in functional connectivity may be implicit in the biological process which renders some genes more informative to discriminate between normal and tumoral conditions. Using the proposed method, namely, MLDA, in order to analyze the multivariate characteristic of genes, it was possible to capture the changes in dependence networks which are related to cell transformation.

Quantitative chemical profile and multivariate statistical analysis of alembic distilled sugarcane spirit fractions

As concentrações de 39 compostos orgânicos foram determinadas em três frações (cabeça, coração e cauda) obtidas da destilação em alambique do caldo de cana fermentado. Os resultados foram avaliados utilizando-se análise de variância (ANOVA), teste de Tukey, análise de componentes principais (PCA), agrupamento hierárquico (HCA) e análise discriminante linear (LDA). De acordo com PCA e HCA, os dados experimentais conduzem à formação de três agrupamentos. As frações de cabeça deram origem a um grupo mais definido. As frações coração e cauda apresentaram alguma sobreposição coerente com sua composição em ácidos. As habilidades preditivas de calibração e validação dos modelos gerados pela LDA para a classificação das três frações foram de 90,5 e 100%, respectivamente. Este modelo reconheceu como coração doze de treze cachaças comerciais (92,3%) com boas características sensoriais, apresentando potencial para a orientação do processo de cortes.

Application of genetic algorithms for the calibration of an air quality model and its validation using pollutant measures from the surroundings of an electric power plant

[EN]This work presents the calibration and validation of an air quality finite element model applied to emissions from a thermal power plant located in Gran Canaria. The calibration is performed using genetic algorithms. To calibrate and validate the model, the authors use empirical measures of pollutants concentrations from 4 stations located nearby the power plant; an hourly record per station during 3 days is available. Measures from 3 stations will be used to calibrate, while validation will use measures from the remaining station…

Calibration and validation of an air quality finite element model around an electric power plant in Gran Canaria island

[EN]This work presents the calibration and validation of an air quality finite element model applied to the surroundings of Jinamar electric power plant in Gran Canaria island (Spain). The model involves the generation of an adaptive tetrahedral mesh, the computation of an ambient wind field, the inclusion of the plume rise effect in the wind field, and the simulation of transport and reaction of pollutants. The main advantage of the model is the treatment of complex terrains that introduces an alternative to the standard implementation of current models. In addition, it improves the computational cost through the use of unstructured meshes...

The Libor Market Model: from theory to calibration

This thesis is focused on the financial model for interest rates called the LIBOR Market Model. In the appendixes, we provide the necessary mathematical theory. In the inner chapters, firstly, we define the main interest rates and financial instruments concerning with the interest rate models, then, we set the LIBOR market model, demonstrate its existence, derive the dynamics of forward LIBOR rates and justify the pricing of caps according to the Black’s formula. Then, we also present the Swap Market Model, which models the forward swap rates instead of the LIBOR ones. Even this model is justified by a theoretical demonstration and the resulting formula to price the swaptions coincides with the Black’s one. However, the two models are not compatible from a theoretical point. Therefore, we derive various analytical approximating formulae to price the swaptions in the LIBOR market model and we explain how to perform a Monte Carlo simulation. Finally, we present the calibration of the LIBOR market model to the markets of both caps and swaptions, together with various examples of application to the historical correlation matrix and the cascade calibration of the forward volatilities to the matrix of implied swaption volatilities provided by the market.

LBT AO system: tests and calibration

An Adaptive Optic (AO) system is a fundamental requirement of 8m-class telescopes. We know that in order to obtain the maximum possible resolution allowed by these telescopes we need to correct the atmospheric turbulence. Thanks to adaptive optic systems we are able to use all the effective potential of these instruments, drawing all the information from the universe sources as best as possible. In an AO system there are two main components: the wavefront sensor (WFS) that is able to measure the aberrations on the incoming wavefront in the telescope, and the deformable mirror (DM) that is able to assume a shape opposite to the one measured by the sensor. The two subsystem are connected by the reconstructor (REC). In order to do this, the REC requires a “common language" between these two main AO components. It means that it needs a mapping between the sensor-space and the mirror-space, called an interaction matrix (IM). Therefore, in order to operate correctly, an AO system has a main requirement: the measure of an IM in order to obtain a calibration of the whole AO system. The IM measurement is a 'mile stone' for an AO system and must be done regardless of the telescope size or class. Usually, this calibration step is done adding to the telescope system an auxiliary artificial source of light (i.e a fiber) that illuminates both the deformable mirror and the sensor, permitting the calibration of the AO system. For large telescope (more than 8m, like Extremely Large Telescopes, ELTs) the fiber based IM measurement requires challenging optical setups that in some cases are also impractical to build. In these cases, new techniques to measure the IM are needed. In this PhD work we want to check the possibility of a different method of calibration that can be applied directly on sky, at the telescope, without any auxiliary source. Such a technique can be used to calibrate AO system on a telescope of any size. We want to test the new calibration technique, called “sinusoidal modulation technique”, on the Large Binocular Telescope (LBT) AO system, which is already a complete AO system with the two main components: a secondary deformable mirror with by 672 actuators, and a pyramid wavefront sensor. My first phase of PhD work was helping to implement the WFS board (containing the pyramid sensor and all the auxiliary optical components) working both optical alignments and tests of some optical components. Thanks to the “solar tower” facility of the Astrophysical Observatory of Arcetri (Firenze), we have been able to reproduce an environment very similar to the telescope one, testing the main LBT AO components: the pyramid sensor and the secondary deformable mirror. Thanks to this the second phase of my PhD thesis: the measure of IM applying the sinusoidal modulation technique. At first we have measured the IM using a fiber auxiliary source to calibrate the system, without any kind of disturbance injected. After that, we have tried to use this calibration technique in order to measure the IM directly “on sky”, so adding an atmospheric disturbance to the AO system. The results obtained in this PhD work measuring the IM directly in the Arcetri solar tower system are crucial for the future development: the possibility of the acquisition of IM directly on sky means that we are able to calibrate an AO system also for extremely large telescope class where classic IM measurements technique are problematic and, sometimes, impossible. Finally we have not to forget the reason why we need this: the main aim is to observe the universe. Thanks to these new big class of telescopes and only using their full capabilities, we will be able to increase our knowledge of the universe objects observed, because we will be able to resolve more detailed characteristics, discovering, analyzing and understanding the behavior of the universe components.

Troposphere Calibration Techniques for Deep Space Probe Tracking

Ground-based Earth troposphere calibration systems play an important role in planetary exploration, especially to carry out radio science experiments aimed at the estimation of planetary gravity fields. In these experiments, the main observable is the spacecraft (S/C) range rate, measured from the Doppler shift of an electromagnetic wave transmitted from ground, received by the spacecraft and coherently retransmitted back to ground. If the solar corona and interplanetary plasma noise is already removed from Doppler data, the Earth troposphere remains one of the main error sources in tracking observables. Current Earth media calibration systems at NASA’s Deep Space Network (DSN) stations are based upon a combination of weather data and multidirectional, dual frequency GPS measurements acquired at each station complex. In order to support Cassini’s cruise radio science experiments, a new generation of media calibration systems were developed, driven by the need to achieve the goal of an end-to-end Allan deviation of the radio link in the order of 3×〖10〗^(-15) at 1000 s integration time. The future ESA’s Bepi Colombo mission to Mercury carries scientific instrumentation for radio science experiments (a Ka-band transponder and a three-axis accelerometer) which, in combination with the S/C telecommunication system (a X/X/Ka transponder) will provide the most advanced tracking system ever flown on an interplanetary probe. Current error budget for MORE (Mercury Orbiter Radioscience Experiment) allows the residual uncalibrated troposphere to contribute with a value of 8×〖10〗^(-15) to the two-way Allan deviation at 1000 s integration time. The current standard ESA/ESTRACK calibration system is based on a combination of surface meteorological measurements and mathematical algorithms, capable to reconstruct the Earth troposphere path delay, leaving an uncalibrated component of about 1-2% of the total delay. In order to satisfy the stringent MORE requirements, the short time-scale variations of the Earth troposphere water vapor content must be calibrated at ESA deep space antennas (DSA) with more precise and stable instruments (microwave radiometers). In parallel to this high performance instruments, ESA ground stations should be upgraded to media calibration systems at least capable to calibrate both troposphere path delay components (dry and wet) at sub-centimetre level, in order to reduce S/C navigation uncertainties. The natural choice is to provide a continuous troposphere calibration by processing GNSS data acquired at each complex by dual frequency receivers already installed for station location purposes. The work presented here outlines the troposphere calibration technique to support both Deep Space probe navigation and radio science experiments. After an introduction to deep space tracking techniques, observables and error sources, in Chapter 2 the troposphere path delay is widely investigated, reporting the estimation techniques and the state of the art of the ESA and NASA troposphere calibrations. Chapter 3 deals with an analysis of the status and the performances of the NASA Advanced Media Calibration (AMC) system referred to the Cassini data analysis. Chapter 4 describes the current release of a developed GNSS software (S/W) to estimate the troposphere calibration to be used for ESA S/C navigation purposes. During the development phase of the S/W a test campaign has been undertaken in order to evaluate the S/W performances. A description of the campaign and the main results are reported in Chapter 5. Chapter 6 presents a preliminary analysis of microwave radiometers to be used to support radio science experiments. The analysis has been carried out considering radiometric measurements of the ESA/ESTEC instruments installed in Cabauw (NL) and compared with the requirements of MORE. Finally, Chapter 7 summarizes the results obtained and defines some key technical aspects to be evaluated and taken into account for the development phase of future instrumentation.

Procedures of quality control and data analysis of multi-site ground-based observations for the absolute flux calibration of Gaia

The Gaia space mission is a major project for the European astronomical community. As challenging as it is, the processing and analysis of the huge data-flow incoming from Gaia is the subject of thorough study and preparatory work by the DPAC (Data Processing and Analysis Consortium), in charge of all aspects of the Gaia data reduction. This PhD Thesis was carried out in the framework of the DPAC, within the team based in Bologna. The task of the Bologna team is to define the calibration model and to build a grid of spectro-photometric standard stars (SPSS) suitable for the absolute flux calibration of the Gaia G-band photometry and the BP/RP spectrophotometry. Such a flux calibration can be performed by repeatedly observing each SPSS during the life-time of the Gaia mission and by comparing the observed Gaia spectra to the spectra obtained by our ground-based observations. Due to both the different observing sites involved and the huge amount of frames expected (≃100000), it is essential to maintain the maximum homogeneity in data quality, acquisition and treatment, and a particular care has to be used to test the capabilities of each telescope/instrument combination (through the “instrument familiarization plan”), to devise methods to keep under control, and eventually to correct for, the typical instrumental effects that can affect the high precision required for the Gaia SPSS grid (a few % with respect to Vega). I contributed to the ground-based survey of Gaia SPSS in many respects: with the observations, the instrument familiarization plan, the data reduction and analysis activities (both photometry and spectroscopy), and to the maintenance of the data archives. However, the field I was personally responsible for was photometry and in particular relative photometry for the production of short-term light curves. In this context I defined and tested a semi-automated pipeline which allows for the pre-reduction of imaging SPSS data and the production of aperture photometry catalogues ready to be used for further analysis. A series of semi-automated quality control criteria are included in the pipeline at various levels, from pre-reduction, to aperture photometry, to light curves production and analysis.