Principal component analysis for the identification of pollution sources in mussel survey by trace metals

Principal component analysis has been applied to analyze the correlation matrix obtained from a 8 X 43 data matrix. The 8 trace metals are Mn, Co, Ni, Cu, Zn, Cd, Hg, Pb, which are contained in the soft part of mussels (Mytilus galloprovincialis Lamarck). Mussels were sampled from two sites in the Gulf of Trieste. In both samples, 76-78% of the total variance is explained by the four principal components. The orthogonally rotated factor matrix indicates that Co and Ni are bonded to the first principal component and Cd and Pb to the first (site 2) or second principal component (site 1). The origin of trace metals in the soft part of mussels from the Gulf of Trieste is discussed.     

Principal component analysis as a tool for studying interdependences among trace metals in edible mussels from the gulf of Trieste

Summary Principal component analysis has been applied to analyze the correlation matrix obtained from a (6 × 44) data matrix. The 6 trace metals are Co, Ni, Cu, Cd, Hg, and Pb, which are contained in the soft part of edible mussels (Mytilus galloprovincialis Lamarck) from a hatchery on the gulf of Trieste. In the space of eigenvectors, the dimensions are reduced to 3 principal axes, which account for about 77% of the total variance.The unrotated factor matrix obtained by the principal components shows that Co, Ni and Cu are bonded to the first principal component, Cd and Pb to the second, Hg to the third. This picture is also assessed by the Varimax-rotated matrix and it is tentatively explained, at least in part, by considering the associations of the trace metals from various geographical sources.

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Hauptkomponentenanalyse für das Studium der Assoziationen unter Spurenmetallen in Miesmuscheln im Golf von Triest

Zusammenfassung Die Hauptkomponentenanalyse wurde auf die Korrelationsmatrix, die aus der (6 × 44) Datenmatrix hervorgeht, angewandt. Die 6 Spurenmetalle sind Co, Ni, Cu, Cd, Hg, Pb, die im Miesmuschelnfleisch (Mytilus galloprovineialis Lamarck) gefunden werden. Die Miesmuschelnproben stammen aus der Zucht des Golfes von Triest. In dem Eigenvektorraum werden die Dimensionen auf drei Hauptachsen reduziert, die ungefähr 77% der totalen Varianz erklären.Die unrotierte Faktorenmatrix, die aus den Hauptkomponenten hervorgeht, zeigt, daß Co, Ni, Cu an die erste Hauptkomponente, Cd und Pb an die zweite, Hg an die dritte gebunden sind. Dieses Bild wird von der Varimax-rotierten Matrix bestätigt und es findet eine Erklärung in der Herkunft der Spurenmetalle.

     

微波消解-电感耦合等离子体串联质谱法测定新疆黑枸杞红酒中微量元素的主成分分析

建立电感耦合等离子体串联质谱(inductively coupled plasma tandem mass spectrometry,ICP-MS/MS)分析方法测定新疆黑枸杞红酒中22种微量元素含量,并进行主成分分析.黑枸杞红酒经微波消解处理,采用ICP-MS/MS测定22种微量元素含量,在MS/MS模式下以O2为反...     

Hypothesis-driven approach for the identification of fecal pollution sources in water resources

Water resource management must strive to link catchment information with water quality monitoring. The present study attempted this for the field of microbial fecal source tracking (MST). A fecal pollution source profile based on catchment data (e.g., prevalence of fecal sources) was used to formulate a hypothesis about the dominant sources of pollution in an Austrian mountainous karst spring catchment. This allowed a statistical definition of methodical requirements necessary for an informed choice of MST methods. The hypothesis was tested in a 17-month investigation of spring water quality. The study followed a nested sampling design in order to cover the hydrological and pollution dynamics of the spring and to assess effects such as differential persistence between parameters. Genetic markers for the potential fecal sources as well as microbiological, hydrological, and chemo-physical parameters were measured. The hypothesis that ruminant animals were the dominant sources of fecal pollution in the catchment was clearly confirmed. It was also shown that the concentration of ruminant markers in feces was equally distributed in different ruminant source groups. The developed approach provides a tool for careful decision-making in MST study design and might be applied on various types of catchments and pollution situations.     

Multivariate data analysis of sea waters and mussels in relation to pollution sources of trace elements

Summary The total concentration of Cu, Zn and Pb in surface sea waters from the Bay of Muggia (Gulf of Trieste, Northern Adriatic Sea) was determined by anodic stripping voltammetry. The association of these trace elements in relation to the known sources of pollution was discussed. The content of eight trace elements (Mn, Co, Ni, Cu, Zn, Cd, Hg, Pb) in the soft part of mussels (Mytilus galloprovincialis Lamarck) is also considered. The wild molluscs were sampled in the harbour of Trieste, in the proximity of an important city sewer. Principal component analysis was used to analyse the correlation matrix obtained from an 8 × 43 data matrix after a logarithmic transformation of the concentration variables. Eight variables were reduced to four principal components, which explained 80% of the total variance. The orthogonally rotated factor matrix shows that Co, Ni, Cd, and Pb are associated with the first principal component, Cu and Zn to the second, Hg to the third and Mn to the fourth principal component. The results of this multi-variate data analysis are compared with those already obtained from two sampling sites in the Bay of Muggia and the origin of some trace metals in the soft part of mussels from the Gulf of Trieste is discussed.

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Mehrdimensionale Analyse der Daten von Seewasser und Muscheln in Beziehung zu Verunreinigungen mit Spurenelementen

Zusammenfassung Der Gesamtgehalt von Cu, Zn, Pb in den oberen Schichten des Seewassers aus der Bucht von Muggia (Golf von Triest) wurde nach einer puls-inversvoltammetrischen Methode untersucht. Es wurden die Beziehungen dieser Spurenelemente zu den bekannten Verunreinigungsursachen diskutiert. Weiterhin wurde der Gehalt von Mn, Co, Ni, Cu, Zn, Cd, Hg, Pb im Fleisch von Miesmuscheln (Mytilus galloprovincialis Lamarck) untersucht. Die Mollusken stammen aus der Umgebung des Hafens von Triest, in der Nähe eines wichtigen Abwasserkanals. Die Korrelationsmatrix geht aus der 8 × 43-Datenmatrix nach einer logarithmischen Transformation der Konzentrationsvariablen hervor, dies basiert auf der Analyse der Hauptkomponenten. 8 Variable wurden auf 4 Hauptkomponenten, die 80% der totalen Varianz erklären, reduziert. Die orthogonal-rotierte Faktorenmatrix zeigt, daß Co, Ni, Cd und Pb an die erste Hauptkomponente, Cu und Zn an die zweite, Hg an die dritte und Mn an die vierte Hauptkomponente gebunden sind. Die Ergebnisse dieser Forschung werden mit denen vorhergehender mehrdimensionaler Analysen aus zwei Gegenden in der Bucht von Muggia verglichen. Die Herkunft der Spurenelemente im Muschelfleisch aus dem Golf von Triest werden diskutiert.

     

Multivariate data analysis of sea waters and mussels in relation to pollution sources of trace elements

The total concentration of Cu, Zn and Pb in surface sea waters from the Bay of Muggia (Gulf of Trieste, Northern Adriatic Sea) was determined by anodic stripping voltammetry. The association of these trace elements in relation to the known sources of pollution was discussed. The content of eight trace elements (Mn, Co, Ni, Cu, Zn, Cd, Hg, Pb) in the soft part of mussels (Mytilus galloprovincialis Lamarck) is also considered. The wild molluscs were sampled in the harbour of Trieste, in the proximity of an important city sewer. Principal component analysis was used to analyse the correlation matrix obtained from an 8 x 43 data matrix after a logarithmic transformation of the concentration variables. Eight variables were reduced to four principal components, which explained 80% of the total variance. The orthogonally rotated factor matrix shows that Co, Ni, Cd, and Pb are associated with the first principal component, Cu and Zn to the second, Hg to the third and Mn to the fourth principal component. The results of this multivariate data analysis are compared with those already obtained from two sampling sites in the Bay of Muggia and the origin of some trace metals in the soft part of mussels from the Gulf of Trieste is discussed.     

A binary aqueous component model for the sediment-water partitioning of trace metals in natural waters

A model defining the overall sediment-water partitioning of a chemical, K(D), and the partitioning of its conservative components, (K(D))i, is presented. With respect to many trace metals in natural waters it is proposed that, through strong and perhaps specific complexation, two independent aqueous components coexist and a binary form of the model is appropriate. For two components of a metal that exhibit unequal partitioning, an inverse relationship between K(D) and particle concentration is predicted. Published experimental measurements of K(D) for metals in river waters, derived under conditions which exclude variable concentrations of preexistent colloidal particles, displayed either an inverse dependence (Cu, Ni, and Pd) or little dependence (Cs) on particle concentration. Regarding the former, iterative fits with the binary model were better than empirical fits based on a third (colloidal) phase model, and suggested the presence of between about 10 and 75% of a particle-reactive component ((K(D))1 approximately 5 x 10(4) to 10(10) mL g(-1)) and 25 and 90% of a less reactive (e.g., strongly complexed) component ((K(D))2 < or = 2.5 x 10(3) mL g(-1)). Regarding Cs, data indicated the presence of a single component whose K(D) was on the order of 10(3) mL g(-1). These observations challenge the conventional means by which sediment-water partitioning is considered and modeled, and imply that a third phase is not always a prerequisite for the particle concentration effect frequently observed in laboratory and field studies.     

Direct identification of trace metals in fine and ultrafine particles in the Detroit urban atmosphere

Exposure to airborne particulates containing low concentrations of heavy metals, such as Pb, As, and Se, may have serious health effects. However, little is known about the speciation and particle size of these airborne metals. Fine- and ultrafine particles with heavy metals in aerosol samples from the Detroit urban area, Michigan, were examined in detail to investigate metal concentrations and speciation. The characterization of individual particles was completed using high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) combined with conventional high-resolution TEM techniques. The trace elements, Pb, As, La, Ce, Sr, Zn, Cr, Se, Sn, Y, Zr, Au, and Ag, were detected, and the elemental distributions were mapped in situ atthe nanoscale. The crystal structures of the particles containing Pb, Sr, Zn, and Au were determined from their electron diffraction patterns. Based on the characterization of the representative trace element particles, the potential health effects are discussed. Most of the trace element particles detected in this study were within a range of 0.01-1.0 microm in size, which has the longest atmospheric residence time (approximately 100 days). Increased chemical reactivity owing to the size of nanoparticles may be expected for most of the trace metal particles observed.     

不同包装冷却猪肉腐败特性的主成分分析和聚类分析

将冷却猪肉用托盘、真空、气调的方式包装放置5℃条件下贮藏,通过主成分分析和聚类分析,研究不同包装冷却猪肉贮藏过程中腐败特性。结果表明:通过主成分分析品质指标变化发现,微生物和尸胺、腐胺、电导率、TVBN、pH都可以作为腐败指标反映冷却猪肉的腐败进程,影响其货架期的长短。主成分分析中的旋转因子空间成分图可以直观地确定一部分指标的相关关系,除去不相关的指标,进而进行聚类分析,树图把指标分为4大类,细菌总数与TVBN、热杀索丝菌、假单胞菌的距离分别为0.255、0.320和0.340;假单胞菌、电导率与TVBN的距离分别为0.282和0.305;腐胺与尸胺的距离为0.356,但与其他指标距离较远;pH与其他指标的距离均较远。因此,对于不同包装的冷却猪肉,细菌总数、TVBN、假单胞菌和电导率可以作为判断其腐败品质变化的重要指标,其含量变化可客观反映冷却猪肉的腐败变质进程。     

酱牛肉质构特性主成分分析

酱牛肉的质构特性是决定其品质的重要因素之一,仪器测定是质构特性的重要评价手段.本研究选用五个品牌酱牛肉作为实验样品,通过TPA测试方法对其质构进行了测定,然后对实验数据进行统计分析,包括相关性分析和主成分分析.实验结果表明:通过主成分分析,从酱牛肉七个TPA质构指标中提取出两个主成分,累计方差贡献率为91.31％,即TPA测定的七个参数可以归纳为两类——咀嚼特性和抗压特性.运用主成分分析法减少了酱牛肉质构特性的评价指标,简化了评价过程,为仪器测定来代替感官评定质构特性提供了条件.     

Evaluation of trace metal concentrations in some herbs and herbal teas by principal component analysis

Sixteen trace metallic analytes (Ba, Ca, Ce, Co, Cr, Cu, Fe, K, La, Mg, Mn, Na, Ni, P, Sr and Zn) in acid digests of herbal teas were determined and the data subjected to chemometric evaluation in an attempt to classify the herbal tea samples. Nettle, Senna, Camomile, Peppermint, Lemon Balm, Sage, Hollyhock, Linden, Lavender, Blackberry, Ginger, Galangal, Cinnamon, Green tea, Black tea, Rosehip, Thyme and Rose were used as plant materials in this study. Trace metals in these plants were determined by using inductively coupled plasma-atomic emission spectrometry and inductively coupled plasma-mass spectrometry. Principal component analysis (PCA), linear discriminant analysis (LDA) and cluster analysis (CA) were used as classification techniques. About 18 plants were classified into 5 groups by PCA and all group members determined by PCA are in the predicted group that 100.0% of original grouped cases correctly classified by LDA. Very similar grouping was obtained using CA.     

Congener-specific survey for polychlorinated biphenlys in sediments of industrialized bays in Korea: regional characteristics and pollution sources

Areas of the Korean coastline with heavy industry and major harbors were investigated for polychlorinated biphenyl (PCB) pollution. This investigation paid attention to variations in the PCB congener patterns for a possible source of contamination. Surface sediments from 49 sites were sampled. Although the occurrence of PCBs in coastal marine environment correlates well with shipping and industrial activities, the contribution from shipping activities is considerable because of its enormous economical importance in Korea. The highest concentrations were found in harbors with heavy ship traffic and ship construction. Principal component analysis (PCA) of congener-specific composition of PCBs revealed distinct regional patterns, especially in a harbor and steel manufacturing area. PCB signatures with enhanced higher chlorinated congeners were typical for harbors with shipping activities and correlated well with commercial formulations that were formerly used in ship painting. Lower chlorinated congeners with up to five chlorines were significantly abundant in steel works zones which differed from harbor zones. This distinction was consistent with the congener patterns in the ambient air and the effluent of the steel works as well as in the nearby surface sediments. This study identified steel manufacturing as a recent and ongoing emission source of PCBs in Korea's coastal zone.     

新疆葡萄树伤流液中矿质元素含量的主成分及聚类分析

研究了不同地区、不同品种新疆葡萄树伤流液中矿质元素的含量、特征元素和分布特征。采用电感耦合等离子体发射光谱法测定不同产地、不同品种的新疆葡萄树伤流液中各矿质元素的含量,并采用SPSS 17.0主成分分析法和聚类分析法对测定结果进行特征分析。结果显示:经主成分分析得3个主成分,其累计方差贡献率达92.490%。第一主因子的方差贡献率为60.923%,故确定其所对应的Ca、Mg、P和S是新疆葡萄树伤流液中所含的特征元素。聚类分析将6个样品,基本按品种和地域性聚为2组。说明不同产地、不同品种的葡萄树伤流液中矿质元素呈现一定的选择性累积和地域差异。     

主成分及聚类分析用于洽洽香瓜子的快速鉴别

采用同时蒸馏萃取(SDE)与GC-MS联用对洽洽香瓜子和6种不同品牌香瓜的挥发性成分进行了分析,共分离鉴定出129种挥发性成分,主要由醛类、酮类、酯类、烯烃类、醚类、含硫含氮类、酚类、醇类和酸类化合物组成,不同品牌的香瓜子含有其特有的挥发性风味物质。利用SPSS 19.0分析软件对所得的129种挥发性成分进行主成分分析,取累积贡献率为92.44%的前8个主成分进行聚类分析。结果表明,通过主成分聚类分析能很好的将洽洽香瓜子与其他品牌的香瓜子鉴别区分开。     

Principal component and hierarchical cluster analysis to select hurdle technologies for minimal processed radishes

The application of principal component and hierarchical cluster analysis as a mathematical tool to select hurdle technologies (physical and chemical) to inhibit polyphenol oxidase (PPO) activity and color stability of minimally sliced radishes was presented. Results of PPO activity and color were reported initially (day zero) and after 4 d of refrigerated storage. Based on the mentioned tools and from the thirteen mono-hurdles technologies that were initially selected, eight hurdles were chosen as the best and combined in pairs. From those hurdles, the following double-hurdles were selected as those capable of retaining the product color: Ascorbic Acid (AA) + Acetic Acid (ACA-05), AA + NaCl-1, ACA-05+NaCl-1, AA + Heat Treatment (TT-501), ACA-05 + Ultrasound (US), Citric Acid (CA) + AA, CA + ACA-05, NaCl-1+US. When comparing the best mono-hurdles (AA, TT-501, NaCl-1) to the best double hurdles, the following hurdles: AA, TT-501, CA + ACA-05, NaCl-1+US, CA + AA and NaCl-1 were chosen as those capable of maintaining the typical color of radish slices with acceptable sensory parameters and enzyme inhibition after 4 d of storage.     

3种油脂抗氧化剂的低场核磁共振弛豫特性变化规律的主成分分析

研究了3种不同浓度的油脂抗氧化剂:植物甾醇酯(PSE)、VE、特丁基对苯二酚(TBHQ)的乙醇或三油酸甘油酯体系的低场核磁共振(low-field nuclear magnetic resonance,LF-NMR)弛豫特性,并对结果进行了主成分分析。结果表明:乙醇体系中,当PSE或VE体积分数达2%,TBHQ体积分数达4%时,多组分弛豫图谱中出现新的弛豫峰T21峰,且随PSE、VE、TBHQ浓度的增大,峰面积比例S21增大,S22相对减小;此外,随VE、TBHQ浓度的增加,T21增大,T22减小;但PSE浓度对体系的T21、T22的影响较小;在三油酸甘油酯体系中,当PSE、VE、TBHQ体积分数分别达到3%、3%、7%时,多组分弛豫图谱中出现新的弛豫峰,且随PSE、VE、TBHQ浓度的增加,T22、T23相对减小,而T21基本不变;S21相对增大,S22、S23变化不显著。经主成分分析(principal components analysis,PCA)后,可在PCA得分图上明显区分乙醇和三油酸甘油酯体系,且各抗氧化剂-浓度梯度呈规律性分布,表明PCA分析有利于对油脂抗氧化剂的LF-NMR弛豫特性变化规律的提炼及体系间整体差异的反映。     

织物基本结构参数与悬垂性能主成分回归分析

应用主成分回归分析方法考察织物基本结构参数对悬垂性能的影响。对织物的9项基本结构参数和5项悬垂性能指标进行测试,采用主成分分析方法对指标进行降维处理,提取综合指标,分析各综合指标的构成和内涵,并进行回归分析。研究表明:提取了基本结构参数综合指标:厚重因子和紧密因子;悬垂性能综合指标:悬垂形态因子和动态悬垂因子。分别以悬垂形态因子和动态悬垂因子为因变量,厚重因子和紧密因子为自变量进行回归分析,发现悬垂形态因子、动态悬垂因子都与厚重因子之间有一定的函数关系,与紧密因子关系不密切。     

Application of phylogenetic microarray analysis to discriminate sources of fecal pollution

Conventional methods for fecal source tracking typically use single biomarkers to systematically identify or exclude sources. High-throughput DNA sequence analysis can potentially identify all sources of microbial contaminants in a single test by measuring the total diversity of fecal microbial communities. In this study, we used phylogenetic microarray analysis to determine the comprehensive suite of bacteria that define major sources of fecal contamination in coastal California. Fecal wastes were collected from 42 different populations of humans, birds, cows, horses, elk, and pinnipeds. We characterized bacterial community composition using a DNA microarray that probes for 16S rRNA genes of 59,316 different bacterial taxa. Cluster analysis revealed strong differences in community composition among fecal wastes from human, birds, pinnipeds, and grazers. Actinobacteria, Bacilli, and many Gammaproteobacteria taxa discriminated birds from mammalian sources. Diverse families within the Clostridia and Bacteroidetes taxa discriminated human wastes, grazers, and pinnipeds from each other. We found 1058 different bacterial taxa that were unique to either human, grazing mammal, or bird fecal wastes. These OTUs can serve as specific identifier taxa for these sources in environmental waters. Two field tests in marine waters demonstrate the capacity of phylogenetic microarray analysis to track multiple sources with one test.     

Chemometric differentiation of raw and commercial milk by trace elements using principal component analysis.

Nine trace elements (Cr, Mn, Fe, Ni, Cu, Zn, Mo, Cd, and Pb) were determined in the dissolved ash of 36 samples of raw milk. The distribution of the concentration of each element was first investigated by means of a test of normality. The matrix of the correlation between the concentrations of the elements was then used as a starting matrix for principal component analysis. Nine variables were reduced to four principal components, accounting for 75% of the total variance. The biophilic elements Mn-Fe and Cu-Mo were positively associated with the first two principal components, while Cr was correlated to the third and Ni and Cd with the fourth principal component. Pb and Zn are both negatively correlated to the first principal component. Comparison with 42 samples of a commercial milk, by using a two-dimensional plot of the principal component scores, rendered possible the differentiation between raw and commercial milk.