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11.
It is well established that minute amounts of chemical elements will leach from bottle materials (glass or PET – polyethylene terephthalate) to water stored in such bottles. This study investigated whether leaching increases with storage temperature. For glass bottles this is clearly the case for a long list of elements: Ag, Al, As, B, Ba, Ca, Co, Cr, Cs, Cu, Fe, Ga, Ge, K, La, Li, Mg, Mo, Na, Ni, Pb, Rb, Sb, Se, Sn, Sr, Ti, U, V, W and Zr. However, for glass bottles drinking water maximum admissible concentration values as defined by European authorities are not exceeded even after 1 week of leaching at 80 °C. The critical temperature limit where leaching substantially increases for many elements appears to be 45 °C. For PET bottles, Sb is the only element where leaching is observed at all temperatures and again leaching strongly increases at 45 °C. For PET bottles Sb concentrations observed in water after 1 week storage at 80 °C reach almost four times the maximum admissible concentration values for drinking water but do not exceed the relevant higher limit for food (including water) packaged in PET. 相似文献
12.
Correlation coefficients are most popular in statistical practice for measuring pairwise variable associations. Compositional data, carrying only relative information, require a different treatment in correlation analysis. For identifying the association between two compositional parts in terms of their dominance with respect to the other parts in the composition, symmetric balances are constructed, which capture all relative information in the form of aggregated logratios of both compositional parts of interest. The resulting coordinates have the form of logratios of individual parts to a (weighted) “average representative” of the other parts, and thus, they clearly indicate how the respective parts dominate in the composition on average. The balances form orthonormal coordinates, and thus, the standard correlation measures relying on the Euclidean geometry can be used to measure the association. Simulation studies provide deeper insight into the proposed approach, and allow for comparisons with alternative measures. An application from geochemistry (Kola moss) indicates that correlations based on symmetric balances serve as a sensitive tool to reveal underlying geochemical processes. 相似文献
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Hron Karel Menafoglio Alessandra Palarea-Albaladejo Javier Filzmoser Peter Talská Renáta Egozcue Juan José 《Mathematical Geosciences》2022,54(1):71-93
Mathematical Geosciences - It often occurs in practice that it is sensible to give different weights to the variables involved in a multivariate data analysis—and the same holds for... 相似文献
14.
Luc Moreau Michael Brandl Peter Filzmoser Christoph Hauzenberger ric Goemaere Ivan Jadin Hlne Collet Anne Hauzeur Ralf W. Schmitz 《Geoarchaeology》2016,31(3):229-243
Identifying the geological and geographical origin of lithic raw materials is critical to effectively address prehistoric forager raw material economies and mobility strategies. Currently, Paleolithic archaeology in Belgium lacks a systematic sourcing strategy to effectively substantiate detailed interpretations of prehistoric hunter‐gatherer behavioral change across time and space. This pilot study evaluates the potential to “fingerprint” flint from the Mons Basin, western Belgium, using the laser ablation‐inductively coupled plasma‐mass spectrometry (LA‐ICP‐MS) technique and a multivariate statistical analysis of 87 geological samples and 39 Gravettian period chipped stone artifacts. We reappraise two hypotheses raised by previous scholars based on visual raw material identification: (1) the Gravettian occupants of Maisières‐Canal supplied themselves with “black flint” from one single source; (2) the sites Rhens and Koblenz‐Metternich yielded artifacts indicative of long‐distance transfer of western Belgian flint into the German Rhineland, ca. 260 km from the primary source area. Our results demonstrate the validity of LA‐ICP‐MS data with flint and compositional data analysis for fingerprinting discrete geological formations from the Mons Basin. We suggest multiple source provisioning for Maisières‐Canal. Geochemical characterization of other potential flint sources is required to validate the long‐distance transfer hypothesis of western Belgian “black flint” into the German Rhineland. 相似文献
15.
Identification of Mineralization in Geochemistry for Grid Sampling Using Generalized Additive Models
Mikšová Dominika Rieser Christopher Filzmoser Peter Middleton Maarit Sutinen Raimo 《Mathematical Geosciences》2021,53(8):1861-1880
Mathematical Geosciences - The important goals of mineral exploration geochemistry are detection and identification of underlying mineralization. This paper deals with element concentration data... 相似文献
16.
Mathematical Geosciences - Outliers are encountered in all practical situations of data analysis, regardless of the discipline of application. However, the term outlier is not uniformly defined... 相似文献
17.
Karel Hron Peter Filzmoser Sandra Donevska Eva Fišerová 《Mathematical Geosciences》2013,45(4):487-498
Omitting variables in compositional data analysis may lead to a substantial change in results from that of multivariate statistical analysis. In particular, this is the case for principal component analysis and the compositional biplot, where both the interpretation of loadings and scores of the remaining subcomposition are affected. A stepwise procedure is introduced that allows for a reduction of the original composition to a subcomposition by avoiding a substantial change of the information, like those carried by the compositional biplot. The subcomposition is easier to handle and interpret. Numerical results give evidence of the usefulness of the procedure. 相似文献
18.
Cluster analysis can be used to group samples and to develop ideas about the multivariate geochemistry of the data set at hand. Due to the complex nature of regional geochemical data (neither normal nor log-normal, strongly skewed, often multi-modal data distributions, data closure), cluster analysis results often strongly depend on the preparation of the data (e.g. choice of the transformation) and on the clustering algorithm selected. Different variants of cluster analysis can lead to surprisingly different cluster centroids, cluster sizes and classifications even when using exactly the same input data. Cluster analysis should not be misused as a statistical “proof” of certain relationships in the data. The use of cluster analysis as an exploratory data analysis tool requires a powerful program system to test different data preparation, processing and clustering methods, including the ability to present the results in a number of easy to grasp graphics. Such a tool has been developed as a package for the R statistical software. Two example data sets from geochemistry are used to demonstrate how the results change with different data preparation and clustering methods. A data set from S-Norway with a known number of clusters and cluster membership is used to test the performance of different clustering and data preparation techniques. For a complex data set from the Kola Peninsula, cluster analysis is applied to explore regional data structures. 相似文献
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Hron Karel Coenders Germá Filzmoser Peter Palarea-Albaladejo Javier Faměra Martin Matys Grygar Tomáš 《Mathematical Geosciences》2021,53(7):1643-1666
Mathematical Geosciences - Even though the logratio methodology provides a range of both generic, mostly exploratory, and purpose-built coordinate representations of compositional data, simple... 相似文献
20.
van den Boogaart K. G. Filzmoser P. Hron K. Templ M. Tolosana-Delgado R. 《Mathematical Geosciences》2021,53(5):823-858
Compositional data carry their relevant information in the relationships (logratios) between the compositional parts. It is shown how this source of information can be used in regression modeling, where the composition could either form the response, or the explanatory part, or even both. An essential step to set up a regression model is the way how the composition(s) enter the model. Here, balance coordinates will be constructed that support an interpretation of the regression coefficients and allow for testing hypotheses of subcompositional independence. Both classical least-squares regression and robust MM regression are treated, and they are compared within different regression models at a real data set from a geochemical mapping project.
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