Search

Biological samples of lipids and metabolites degrade after extensive years in −80 °C storage. We aimed to determine if associated multivariate models are also impacted. Prior TOFI_Asia metabolomics studies from our laboratory established multivariate models of metabolic risks associated with ethnic diversity. Therefore, to compare multivariate modelling degradation after years of −80 °C storage, we selected a subset of aged (≥5-years) plasma samples from the TOFI_Asia study to re-analyze via untargeted LC-MS metabolomics. Samples from European Caucasian (n = 28) and Asian Chinese (n = 28) participants were evaluated for ethnic discrimination by partial least squares discriminative analysis (PLS–DA) of lipids and polar metabolites. Both showed a strong discernment between participants ethnicity by features, before (Initial) and after (Aged) 5-years of −80 °C storage. With receiver operator characteristic curves, sparse PLS–DA derived confusion matrix and prediction error rates, a considerable reduction in model integrity was apparent with the Aged polar metabolite model relative to Initial modelling. Ethnicity modelling with lipids maintained predictive integrity in Aged plasma samples, while equivalent polar metabolite models reduced in integrity. Our results indicate that researchers re-evaluating samples for multivariate modelling should consider time at −80 °C when producing predictive metrics from polar metabolites, more so than lipids. [ABSTRACT FROM AUTHOR]

Contaminated air is unhealthy for people to breathe and live in. To maintain the sustainability of clean air, air pollution must be analyzed and controlled, especially after unhealthy events. To do so, the characteristics of unhealthy events, namely intensity, duration, and severity are studied using multivariate modeling. In this study, the vine copula approach is selected to study the characteristics data. Vine copula is chosen here because it is more potent than the standard multivariate distributions, and multivariate copulas, especially in modeling the tails related to extreme events. Here, all nine different vine copulas are analyzed and compared based on model fitting and the comparison of models. In model fitting, the best model obtained is Rv123-Joint-MLE, a model with a root nodes sequence of 123, and optimized using the joint maximum likelihood. The components for the best model are the Tawn type 1 and Rotated Tawn type 1 180 degrees representing the pair copulas of (intensity, duration), and (intensity, severity), respectively, with the Survival Gumbel for the conditional pair copula of (duration, severity; intensity). Based on the best model, the tri-variate dependence structure of the intensity, duration, and severity relationship is positively correlated, skewed, and follows an asymmetric distribution. This indicates that the characteristic's, including intensity, duration, and severity, tend to increase together. Using comparison tests, the best model is significantly different from others, whereas only two models are quite similar. This shows that the best model is well-fitted, compared to most models. Overall, this paper highlights the capability of vine copula in modeling the asymmetric dependence structure of air pollution characteristics, where the obtained model has a better potential to become a tool to assess the risks of extreme events in future work. [ABSTRACT FROM AUTHOR]

Biological samples of lipids and metabolites degrade after extensive years in −80 °C storage. We aimed to determine if associated multivariate models are also impacted. Prior TOFI_Asia metabolomics studies from our laboratory established multivariate models of metabolic risks associated with ethnic diversity. Therefore, to compare multivariate modelling degradation after years of −80 °C storage, we selected a subset of aged (≥5-years) plasma samples from the TOFI_Asia study to re-analyze via untargeted LC-MS metabolomics. Samples from European Caucasian (n = 28) and Asian Chinese (n = 28) participants were evaluated for ethnic discrimination by partial least squares discriminative analysis (PLS–DA) of lipids and polar metabolites. Both showed a strong discernment between participants ethnicity by features, before (Initial) and after (Aged) 5-years of −80 °C storage. With receiver operator characteristic curves, sparse PLS–DA derived confusion matrix and prediction error rates, a considerable reduction in model integrity was apparent with the Aged polar metabolite model relative to Initial modelling. Ethnicity modelling with lipids maintained predictive integrity in Aged plasma samples, while equivalent polar metabolite models reduced in integrity. Our results indicate that researchers re-evaluating samples for multivariate modelling should consider time at −80 °C when producing predictive metrics from polar metabolites, more so than lipids.

Contaminated air is unhealthy for people to breathe and live in. To maintain the sustainability of clean air, air pollution must be analyzed and controlled, especially after unhealthy events. To do so, the characteristics of unhealthy events, namely intensity, duration, and severity are studied using multivariate modeling. In this study, the vine copula approach is selected to study the characteristics data. Vine copula is chosen here because it is more potent than the standard multivariate distributions, and multivariate copulas, especially in modeling the tails related to extreme events. Here, all nine different vine copulas are analyzed and compared based on model fitting and the comparison of models. In model fitting, the best model obtained is Rv123-Joint-MLE, a model with a root nodes sequence of 123, and optimized using the joint maximum likelihood. The components for the best model are the Tawn type 1 and Rotated Tawn type 1 180 degrees representing the pair copulas of (intensity, duration), and (intensity, severity), respectively, with the Survival Gumbel for the conditional pair copula of (duration, severity; intensity). Based on the best model, the tri-variate dependence structure of the intensity, duration, and severity relationship is positively correlated, skewed, and follows an asymmetric distribution. This indicates that the characteristic’s, including intensity, duration, and severity, tend to increase together. Using comparison tests, the best model is significantly different from others, whereas only two models are quite similar. This shows that the best model is well-fitted, compared to most models. Overall, this paper highlights the capability of vine copula in modeling the asymmetric dependence structure of air pollution characteristics, where the obtained model has a better potential to become a tool to assess the risks of extreme events in future work.

The wine sector in Italy is a significant contributor to the country's economy. Furthermore, Italy is renowned for producing some of the world's most excellent wines. For these reasons, the wine industry is susceptible to frauds, such as reporting false origin claims in labels. In this context, this paper aims to provide traceability and quality tool to recognise wines from different Italian regions, i.e. Calabria, Piemonte, Sicily and Veneto, from selected winemakers that reach the Top 10% in almost three international rankings. The multi-elemental analysis of soil and wine samples by ICP-MS and their chemometric treatments have identified Ni, Cs, Li, Ca, Ba, Pb, Rb, Sb, Fe and U as the most informative variables to reach optimal classification of samples. The analytical data have been used to develop an original managerial framework to leverage Pareto's Principle for effective brand-land management in the top wine segment. • Soil and wine samples from selected top vinery have been analysed by ICP-MS. • Chemometric treatment (PCA, variables selection, classification) were employed. • Ten variables were identified to recognise samples from geographical origin. • Pareto's Principle was applied on data for top wine management use. [ABSTRACT FROM AUTHOR]

Biological samples of lipids and metabolites degrade after extensive years in -80 °C storage. We aimed to determine if associated multivariate models are also impacted. Prior TOFI_Asia metabolomics studies from our laboratory established multivariate models of metabolic risks associated with ethnic diversity. Therefore, to compare multivariate modelling degradation after years of -80 °C storage, we selected a subset of aged (≥5-years) plasma samples from the TOFI_Asia study to re-analyze via untargeted LC-MS metabolomics. Samples from European Caucasian ( n = 28) and Asian Chinese ( n = 28) participants were evaluated for ethnic discrimination by partial least squares discriminative analysis (PLS-DA) of lipids and polar metabolites. Both showed a strong discernment between participants ethnicity by features, before (Initial) and after (Aged) 5-years of -80 °C storage. With receiver operator characteristic curves, sparse PLS-DA derived confusion matrix and prediction error rates, a considerable reduction in model integrity was apparent with the Aged polar metabolite model relative to Initial modelling. Ethnicity modelling with lipids maintained predictive integrity in Aged plasma samples, while equivalent polar metabolite models reduced in integrity. Our results indicate that researchers re-evaluating samples for multivariate modelling should consider time at -80 °C when producing predictive metrics from polar metabolites, more so than lipids., Competing Interests: Aidan Joblin-Mills, Zhanxuan E. Wu and Karl Fraser are/were employees of AgResearch Limited The paper reflects the views of the scientists and not the company.