276 research outputs found

    Principal component regression that minimizes the sum of the squares of the relative errors: Application in multivariate calibration models

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    Relative errors are typically used in chemometrics to evaluate the performance of a multivariate predictive model. However, these models are not obtained through the criterion of minimizing relative errors, as would be expected in a model whose response is the concentration of an analyte. There are no studies in chemometrics on the use of a principal component regression that minimizes the sum of the squares of the relative errors. This work proposes a model, which serves this purpose. The suggested model, wPCR, has been applied to 7 datasets with 12 predicted responses, 10 of which are multivariate calibrations of analytes in complex mixtures based on instrumental signals coming from various analytical techniques. As PCR and wPCR are methods seeking to optimize different criteria, each one achieves a better performance with respect to its own criterion. Therefore, the new model wPCR leads to better results insofar as the relative errors are considered, especially for the smallest responses. In this sense, the wPCR model also outperforms PCR with logarithmic transformation of the response (logPCR). In addition, as for the performance of the method using Joint Confidence Regions for the intercept and the slope of the accuracy line, it is shown that the application of wPCR does not introduce bias, neither constant nor proportional for the models built, nor a systematic alteration of the achievable accuracy.The authors thank the financial support provided by Spanish MINECO (AEI/FEDER, UE) through project CTQ2017-88894-R and Consejería de la Junta de Castilla y León (BU052P20), both co-financed with European Regional Development Fund, Junta de Castilla y León and Fondo Social Europeo

    Fermentation-derived Aroma Compounds in Varietal Young Wines from South Africa

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    The volatile composition of 925 single cultivar young Sauvignon blanc, Chardonnay, Pinotage, Merlot, Shirazand Cabernet Sauvignon wines of vintages 2005 to 2007, was determined using gas chromatography – flameionisation detection. Compositional data were compared to published data on young wines from South Africa andother countries. South African young wines analysed in this study had a largely similar volatile composition tothat reported in the literature. Significant between-vintage and between-cultivar differences were observed in thevolatile composition of the wines investigated in this study. The concentration ranges of four compounds in redwines, hexanol, propanol, diethyl succinate and ethyl lactate, and four compounds in white wines, 2-phenylethanol,hexanoic acid, isoamyl acetate and propanol, were not influenced by vintage effects. This finding was interpretedas the first indication that typical concentration ranges for some aroma compounds can be established for SouthAfrican young cultivar wines. A trend was observed in the white wines that the alcohols and their respective acetateesters, as well as fatty acids and their ethyl esters, were responsible for the vintage-related effects. Differences involatile composition between Chardonnay and Sauvignon blanc wines could also largely be explained on the samebasis. Classification models were established to discriminate between individual red wine cultivars and between thetwo white wine cultivars and correct classification rates of respectively, 79 % and 85 % were achieved

    特別支援教育専攻学生を対象とした障害理解のための教材開発(2)―糖尿病・血友病等の「自己注射」場面を中心にした教材―

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     特別支援教育専攻学生の指導では、対象とする障害児・者が活用する機器・道具を提示し、その使用法の解説がなされてきた。これは感覚・情報系障害領域では指導上意義がある。また肢体不自由・運動障害系では、車イスや生活補助具、障害体験グッズなどが障害理解教材として活用されてきた。しかし病弱教育領域では、子どもの困難理解につながる「病気体験」は、健常学生にはできない。そこで教員は、病院見学、療養生活の映像資料等を活用し、病気の影響や困難をイメージさせる方法をとることが多い。本研究では糖尿病および血友病を例にとり、病気による「困難」を体験・体感させる教材について検討した。糖尿病・血友病の自己注射モデルを提示し、その作製・改善とそれを使用した授業経過を分析対象とした。学生による試作及び改良モデルは、自己注射実施時の困難・不安・躊躇を「体感」させることを目的としているが、作製過程そのものが、学生による困難・不安・躊躇といった自己注射実施を必要とする疾患のもつ障害特性の理解を促進することが推察された

    Using statistical and artificial neural networks to predict the permeability of loosely packed granular materials

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    Well-known analytical equations for predicting permeability are generally reported to overestimate this important property of porous media. In this work, more robust models developed from statistical (multivariable regression) and Artificial Neural Network (ANN) methods utilised additional particle characteristics [‘fines ratio’ (x50/x10) and particle shape] that are not found in traditional analytical equations. Using data from experiments and literature, model performance analyses with average absolute error (AAE) showed error of ~40% for the analytical models (Kozeny–Carman and Happel–Brenner). This error reduces to 9% with ANN model. This work establishes superiority of the new models, using experiments and mathematical techniques

    Genes Associated with 2-Methylisoborneol Biosynthesis in Cyanobacteria: Isolation, Characterization, and Expression in Response to Light

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    The volatile microbial metabolite 2-methylisoborneol (2-MIB) is a root cause of taste and odor issues in freshwater. Although current evidence suggests that 2-MIB is not toxic, this compound degrades water quality and presents problems for water treatment. To address these issues, cyanobacteria and actinomycetes, the major producers of 2-MIB, have been investigated extensively. In this study, two 2-MIB producing strains, coded as Pseudanabaena sp. and Planktothricoids raciborskii, were used in order to elucidate the genetic background, light regulation, and biochemical mechanisms of 2-MIB biosynthesis in cyanobacteria. Genome walking and PCR methods revealed that two adjacent genes, SAM-dependent methyltransferanse gene and monoterpene cyclase gene, are responsible for GPP methylation and subsequent cyclization to 2-MIB in cyanobacteria. These two genes are located in between two homologous cyclic nucleotide-binding protein genes that may be members of the Crp-Fnr regulator family. Together, this sequence of genes forms a putative operon. The synthesis of 2-MIB is similar in cyanobacteria and actinomycetes. Comparison of the gene arrangement and functional sites between cyanobacteria and other organisms revealed that gene recombination and gene transfer probably occurred during the evolution of 2-MIB-associated genes. All the microorganisms examined have a common origin of 2-MIB biosynthesis capacity, but cyanobacteria represent a unique evolutionary lineage. Gene expression analysis suggested that light is a crucial, but not the only, active regulatory factor for the transcription of 2-MIB synthesis genes. This light-regulated process is immediate and transient. This study is the first to identify the genetic background and evolution of 2-MIB biosynthesis in cyanobacteria, thus enhancing current knowledge on 2-MIB contamination of freshwater

    Soil mobility of surface applied polyaromatic hydrocarbons in response to simulated rainfall

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    Polyaromatic hydrocarbons (PAHs) are emitted from a variety of sources and can accumulate on and within surface soil layers. To investigate the level of potential risk posed by surface contaminated soils, vertical soil column experiments were conducted to assess the mobility, when leached with simulated rainwater, of six selected PAHs (naphthalene, phenanthrene, fluoranthene, pyrene, benzo(e)pyrene and benzo(ghi)perylene) with contrasting hydrophobic characteristics and molecular weights/sizes. The only PAH found in the leachate within the experimental period of 26 days was naphthalene. The lack of migration of the other applied PAHs were consistent with their low mobilities within the soil columns which generally parallelled their log Koc values. Thus only 2.3% of fluoranthene, 1.8% of pyrene, 0.2% of benzo(e)pyrene and 0.4% of benzo(ghi)perylene were translocated below the surface layer. The PAH distributions in the soil columns followed decreasing power relationships with 90% reductions in the starting levels being shown to occur within a maximum average depth of 0.94 cm compared to an average starting depth of 0.5 cm. A simple predictive model identifies the extensive time periods, in excess of 10 years, required to mobilise 50% of the benzo(e)pyrene and benzo(ghi)perylene from the surface soil layer. Although this reduces to between 2 and 7 years for fluoranthene and pyrene, it is concluded that the possibility of surface applied PAHs reaching and contaminating a groundwater aquifer is unlikely

    Monetary Policy and its Impact on Stock Market Liquidity: Evidence from the Euro Zone

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    The recent financial crisis has been characterized by unprecedented monetary policy interventions of central banks with the intention to stabilize financial markets and the real economy. This paper sheds light on the actual impact of monetary policy on stock liquidity and thereby addresses its role as a determinant of commonality in liquidity. To capture effects both at the micro and macro level of stock markets, we apply panel estimations and vector autoregressive models. Our results suggest that an expansionary monetary policy of the European Central Bank leads to an increase of stock market liquidity in the German, French and Italian markets. These findings are robust for seven proxies of liquidity and two measures of monetary policy
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