Using Multivariate Statistical and Geostatistical Methods to Identify Spatial Variability of Trace Elements in Agricultural Soils in Dongguan City,Guangdong,China

Dongguan （东莞） City, located in the Pearl River Delta, South China, is famous for its rapid industrialization in the past 30 years. A total of 90 topsoil samples have been collected from agricultural fields, including vegetable and orchard soils in the city, and eight heavy metals （As, Cu, Cd, Cr, Hg, Ni, Pb, and Zn） and other items （pH values and organic matter） have been analyzed, to evaluate the influence of anthropic activities on the environmental quality of agricultural soils and to identify the spatial distribution of trace elements and possible sources of trace elements. The elements Hg, Pb, and Cd have accumulated remarkably here, incomparison with the soil background content of elements in Guangdong （广东） Province. Pollution is more serious in the western plain and the central region, which are heavily distributed with industries and rivers. Multivariate and geostatistical methods have been applied to differentiate the influences of natural processes and human activities on the pollution of heavy metals in topsoils in the study area. The results of cluster analysis （CA） and factor analysis （FA） show that Ni, Cr, Cu, Zn, and As are grouped in factor F1, Pb in F2, and Cd and Hg in F3, respectively. The spatial pattern of the three factors may be well demonstrated by geostatistical analysis. It is shown that the first factor could be considered as a natural source controlled by parent rocks. The second factor could be referred to as ＂industrial and traffic pollution sources＂. The source of the third factor is mainly controlled by long-term anthropic activities, as a consequence of agricultural activities, fossil fuel consumption, and atmospheric deposition.

Multivariate analysis and geochemical investigations of groundwater in a semi-arid region, case of superficial aquifer in Ghriss Basin, Northwest Algeria

This study aims to investigate the hydrochemical characteristics of shallow aquifer in a semi-arid region situated in northwest Algeria,and to understand the major factors governing groundwater quality.The study area is suffering from recurring droughts,groundwater resource over-exploitation and groundwater quality degradation.The approach used is a combination of traditional hydrochemical analysis methods of multivariate statistical techniques,principal component analysis(PCA),and ratios of major ions,based on the data derived from 33 groundwater samples collected in February 2014.Results show that groundwater in the study area are highly mineralized and collectively has a high concentration of chloride(as Cl^(−)).The dominant water types are Na-Cl(27%),Mg-HCO_(3)(24%)and Mg-Cl(24%).According to the(PCA)approach,salinization is the main process that controls the hydrochemical variability.The PCA analysis reveal the impact of anthropogenic factor especially the agricultural activities on the groundwater quality.The PCA highlighted two types of recharge:Superficial recharge from effective rainfall and excess irrigation water distinguished by the presence of nitrate and lateral recharge or vertical leakage from carbonate formations marked by the omnipresence of HCO_(3)^(−).Additionally,three categories of samples were identified:(1)samples characterized by good water quality and receiving notable recharge from carbonate formations;(2)samples impacted by the natural salinization process;and(3)samples contaminated by anthropogenic activities.The major natural processes influencing water chemistry are the weathering of carbonate and silicate rocks,dissolution of evaporite as halite,evaporation and cation exchange.The study results can provide the basis for local decision makers to ensure the sustainable management of groundwater and the safety of drinking water.

Geochemical Anomalies Identified by Multifractal Modeling: Implications for Mineral Exploration in the Ziyoutun Cu-Au District, Jilin Province, China

The Ziyoutun Cu-Au district is located in the Jizhong–Yanbian Metallogenic Belt and possesses excellent prospects. However, the thick regolith and complex tectonic settings present challenges in terms of detecting and decomposition of weak geochemical anomalies. To address this challenge, we initially conducted a comprehensive analysis of 1:10,000-scale soil geochemical data. This analysis included multivariate statistical techniques, such as correlation analysis, R-mode cluster analysis, Q–Q plots and factor analysis. Subsequently, we decomposed the geochemical anomalies, identifying weak anomalies using spectrum-area modeling and local singularity analysis. The results indicate that the assemblage of Au-Cu-Bi-As-Sb represents the mineralization at Ziyoutun. In comparison to conventional methods, spectrumarea modeling and local singularity analysis outperform in terms of identification of anomalies. Ultimately, we considered four specific target areas(AP01, AP02, AP03 and AP04) for future exploration, based on geochemical anomalies and favorable geological factors. Within AP01 and AP02, the geochemical anomalies suggest potential mineralization at depth, whereas in AP03 and AP04 the surface anomalies require additional geological investigation. Consequently, we recommend conducting drilling, following more extensive surface fieldwork, at the first two targets and verifying surface anomalies in the last two targets. We anticipate these findings will significantly enhance future exploration in Ziyoutun.

Diatoms as indicators of environmental change in coastal areas:a case study in Lianjiang coast of East China Sea

Owing to the significant differences in environmental characteristics and explanatory factors among estuarine and coastal regions,research on diatom transfer functions and database establishment remains incomplete.This study analysed diatoms in surface sediment samples and a sediment core from the Lianjiang coast of the East China Sea,together with environmental variables.Principal component analysis of the environmental variables showed that sea surface salinity(SSS)and sea surface temperature were the most important factors controlling hydrological conditions in the Lianjiang coastal area,whereas canonical correspondence analysis indicated that SSS and pH were the main environmental factors affecting diatom distribution.Based on the modern diatom species–environmental variable database,we developed a diatom-based SSS transfer function to quantitatively reconstruct the variability in SSS between 1984 and 2021 for sediment core HK3 from the Lianjiang coastal area.The agreement between the reconstructed SSS and instrument SSS data from 1984 to 2021 suggests that diatombased SSS reconstruction is reliable for studying past SSS variability in the Lianjiang coastal area.Three low SSS events in AD 2019,2013,and 1999,together with an increased relative concentration of freshwater diatom species and coarser sediment grain sizes,corresponded to two super-typhoon events and a catastrophic flooding event in Lianjiang County.Thus,a diatom-based SSS transfer function for reconstructing past SSS variability in the estuarine and coastal areas of the East China Sea can be further used to reflect the paleoenvironmental events in this region.

Temporal and spatial variations hydrochemical components and driving factors in Baiyangdian Lake in the Northern Plain of China

Understanding the temporal and spatial variation of hydrochemical components in large freshwater lakes is crucial for effective management and conversation.In this study,we identify the temporalspatial characteristics and driving factors of the hydrochemical components in Baiyangdian Lake using geochemical methods(Gibbs diagram,Piper diagram and End-element diagram of ion ratio)and multivariate statistical techniques(Principal component analysis and Correlation analysis).16 sets of samples were collected from Baiyangdian Lake in May(normal season),July(flood season),and December(dry season)of 2022.Results indicate significant spatial variation in Nat,ci,SO and NO,,suggesting a strong influence of human activities.Cation concentrations exhibit greater seasonal variation in the dry season compared to the flood season,while the concentrations of the four anions show inconsistent seasonal changes due to the combined effects of river water chemical composition and human activities.The hydrochemical type of Baiyangdian Lake is primarily HCO,Cl-Na.Ca,Mg*and HCO,originate mainly from silicate and carbonate rock dissolution,while Kt,Nat and CI originate mainly from sewage and salt dissolution in sediments.SO42 may mainly stem from industrial wastewater,while NO,primarily originates from animal feces and domestic sewage.Through the use of Principal Component Analysis,it is identified that water-rock interaction(silicate and carbonate rocks dissolution,and dissolution of salt in sediments),carbonate sedimentation,sewage,agricultural fertilizer and manure,and nitrification are the main driving factors of the variation of hydrochemical components of Baiyangdian Lake across three hydrological seasons.These findings suggest the need for effective control of substandard domestic sewage discharge,optimization of agricultural fertilization strategies,and proper management of animal manure to comprehensively improve the water environment in Baiyangdian Lake.

Characteristics and genesis of groundwater salinization in coastal areas of the Lower Reaches of Oujiang Basin

The coastal areas of the lower reaches of Oujiang River Basin are rich in groundwater resources.However,the unsustainable exploitation and utilization of groundwater have led to significant changes in the groundwater environment.Understanding the characteristics and genesis of groundwater salinization is crucial for preventing its deterioration and ensuring sustainable utilization.In this study,a comprehensive approach combining the ion ratio method,mineral saturation index method and multivariate statistical analysis was employed to investigate the hydrochemical characteristics and main controlling factors in the study area.The findings reveal that:(1)Groundwater samples in study area exhibit a neutral to slightly alkaline pH.The predominant chemical types of unconfined water are HCO_(3)-Ca·Na,HCO_(3)·Cl-Na·Ca and HCO_(3)·SO_(4)-Ca·Na,while confined water mainly exhibits Cl·HCO_(3)-Na and Cl-Na types.(2)Salinity coefficients indicate an increase in salinity from unconfined to confined water.TDS,Na^(+)and Cl^(–)concentrations show an increasing trend from mountainous to coastal areas in unconfined water,while confined water displays variability in TDS,Na^(+)and Cl^(–)concentrations.(3)Groundwater salinity is mainly influenced by water-rock interactions,including the dissolution of halite and gypsum,cation exchange,and seawater intrusion etc.Additionally,human activities and carbonate dissolution contribute to salinity in unconfined water.Seawater intrusion is identified as the primary factor leading to higher salinity in confined water compared to unconfined water,with increasing cation exchange and seawater interaction observed from unconfined to confined water.

Multivariate Statistical Process Monitoring and Control: Recent Developments and Applications to Chemical Industry

Multivariate statistical process monitoring and control (MSPM&C) methods for chemical process monitoring with statistical projection techniques such as principal component analysis (PCA) and partial least squares (PLS) are surveyed in this paper. The four-step procedure of performing MSPM&C for chemical process, modeling of processes, detecting abnormal events or faults, identifying the variable(s) responsible for the faults and diagnosing the source cause for the abnormal behavior, is analyzed. Several main research directions of MSPM&C reported in the literature are discussed, such as multi-way principal component analysis (MPCA) for batch process, statistical monitoring and control for nonlinear process, dynamic PCA and dynamic PLS, and on-line quality control by inferential models. Industrial applications of MSPM&C to several typical chemical processes, such as chemical reactor, distillation column, polymerization process, petroleum refinery units, are summarized. Finally, some concluding remarks and future considerations are made.

Multivariate Statistical Process Monitoring of an Industrial Polypropylene Catalyzer Reactor with Component Analysis and Kernel Density Estimation

Abstract Data-driven tools, such as principal component analysis （PCA） and independent component analysis （ICA） have been applied to different benchmarks as process monitoring methods. The difference between the two methods is that the components of PCA are still dependent while ICA has no orthogonality constraint and its latentvariables are independent. Process monitoring with PCA often supposes that process data or principal components is Gaussian distribution. However, this kind of constraint cannot be satisfied by several practical processes. To ex-tend the use of PCA, a nonparametric method is added to PCA to overcome the difficulty, and kernel density estimation （KDE） is rather a good choice. Though ICA is based on non-Gaussian distribution intormation, .KDE can help in the close monitoring of the data. Methods, such as PCA, ICA, PCA.with .KDE（KPCA）, and ICA with KDE,（KICA）, are demonstrated and. compared by applying them to a practical industnal Spheripol craft polypropylene catalyzer reactor instead of a laboratory emulator.

Construction of Inorganic Elemental Fingerprint and Multivariate Statistical Analysis of Marine Traditional Chinese Medicine Meretricis concha from Rushan Bay

Meretricis concha is a kind of marine traditional Chinese medicine(TCM), and has been commonly used for the treatment of asthma and scald burns. In order to investigate the relationship between the inorganic elemental fingerprint and the geographical origin identification of Meretricis concha, the elemental contents of M. concha from five sampling points in Rushan Bay have been determined by means of inductively coupled plasma optical emission spectrometry(ICP-OES). Based on the contents of 14 inorganic elements(Al, As, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Se, and Zn), the inorganic elemental fingerprint which well reflects the elemental characteristics was constructed. All the data from the five sampling points were discriminated with accuracy through hierarchical cluster analysis(HCA) and principle component analysis(PCA), indicating that a four-factor model which could explain approximately 80% of the detection data was established, and the elements Al, As, Cd, Cu, Ni and Pb could be viewed as the characteristic elements. This investigation suggests that the inorganic elemental fingerprint combined with multivariate statistical analysis is a promising method for verifying the geographical origin of M. concha, and this strategy should be valuable for the authenticity discrimination of some marine TCM.

Application of multivariate statistical techniques in assessment of surface water quality in Second Songhua River basin,China

Multivariate statistical techniques,such as cluster analysis(CA),discriminant analysis(DA),principal component analysis(PCA) and factor analysis(FA),were applied to evaluate and interpret the surface water quality data sets of the Second Songhua River(SSHR) basin in China,obtained during two years(2012-2013) of monitoring of 10 physicochemical parameters at 15 different sites.The results showed that most of physicochemical parameters varied significantly among the sampling sites.Three significant groups,highly polluted(HP),moderately polluted(MP) and less polluted(LP),of sampling sites were obtained through Hierarchical agglomerative CA on the basis of similarity of water quality characteristics.DA identified p H,F,DO,NH3-N,COD and VPhs were the most important parameters contributing to spatial variations of surface water quality.However,DA did not give a considerable data reduction(40% reduction).PCA/FA resulted in three,three and four latent factors explaining 70%,62% and 71% of the total variance in water quality data sets of HP,MP and LP regions,respectively.FA revealed that the SSHR water chemistry was strongly affected by anthropogenic activities(point sources:industrial effluents and wastewater treatment plants;non-point sources:domestic sewage,livestock operations and agricultural activities) and natural processes(seasonal effect,and natural inputs).PCA/FA in the whole basin showed the best results for data reduction because it used only two parameters(about 80% reduction) as the most important parameters to explain 72% of the data variation.Thus,this work illustrated the utility of multivariate statistical techniques for analysis and interpretation of datasets and,in water quality assessment,identification of pollution sources/factors and understanding spatial variations in water quality for effective stream water quality management.

Investigation of Dynamic Multivariate Chemical Process Monitoring

Chemical process variables are always driven by random noise and disturbances. The closed-loop con-trol yields process measurements that are auto and cross correlated. The influence of auto and cross correlations on statistical process control (SPC) is investigated in detail by Monte Carlo experiments. It is revealed that in the sense of average performance, the false alarms rates (FAR) of principal component analysis (PCA), dynamic PCA are not affected by the time-series structures of process variables. Nevertheless, non-independent identical distribution will cause the actual FAR to deviate from its theoretic value apparently and result in unexpected consecutive false alarms for normal operating process. Dynamic PCA and ARMA-PCA are demonstrated to be inefficient to remove the influences of auto and cross correlations. Subspace identification-based PCA (SI-PCA) is proposed to improve the monitoring of dynamic processes. Through state space modeling, SI-PCA can remove the auto and cross corre-lations efficiently and avoid consecutive false alarms. Synthetic Monte Carlo experiments and the application in Tennessee Eastman challenge process illustrate the advantages of the proposed approach.

STUDY ON THE MULTIVARIATE STATISTICAL ESTIMATION OF TROPICAL CYCLONE INTENSITY USING FY-3 MWRI BRIGHTNESS TEMPERATURE DATA

A technique for estimating tropical cyclone(TC) intensity over the Western North Pacific utilizing FY-3Microwave Imager(MWRI) data is developed. As a first step, we investigated the relationship between the FY-3 MWRI brightness temperature(TB) parameters, which are computed in concentric circles or annuli of different radius in different MWRI frequencies, and the TC maximum wind speed(Vmax) from the TC best track data. We found that the parameters of lower frequency channels' minimum TB, mean TB and ratio of pixels over the threshold TB with a radius of 1.0 or 1.5 degrees from the center give higher correlation. Then by applying principal components analysis(PCA)and multiple regression method, we established an estimation model and evaluated it using independent verification data, with the RMSE being 13 kt. The estimated Vmax is always stronger in the early stages of development, but slightly weaker toward the mature stage, and a reversal of positive and negative bias takes place with a boundary of around 70 kt. For the TC that has a larger error, we found that they are often with less organized and asymmetric cloud pattern, so the classification of TC cloud pattern will help improve the acuracy of the estimated TC intensity, and with the increase of statistical samples the accuracy of the estimated TC intensity will also be improved.

Spatial variation assessment of groundwater quality using multivariate statistical analysis(Case Study:Fasa Plain,Iran)

Groundwater is considered as one of the most important sources for water supply in Iran.The Fasa Plain in Fars Province,Southern Iran is one of the major areas of wheat production using groundwater for irrigation.A large population also uses local groundwater for drinking purposes.Therefore,in this study,this plain was selected to assess the spatial variability of groundwater quality and also to identify main parameters affecting the water quality using multivariate statistical techniques such as Cluster Analysis(CA),Discriminant Analysis(DA),and Principal Component Analysis(PCA).Water quality data was monitored at 22 different wells,for five years(2009-2014)with 10 water quality parameters.By using cluster analysis,the sampling wells were grouped into two clusters with distinct water qualities at different locations.The Lasso Discriminant Analysis(LDA)technique was used to assess the spatial variability of water quality.Based on the results,all of the variables except sodium absorption ratio(SAR)are effective in the LDA model with all variables affording 92.80%correct assignation to discriminate between the clusters from the primary 10 variables.Principal component(PC)analysis and factor analysis reduced the complex data matrix into two main components,accounting for more than 95.93%of the total variance.The first PC contained the parameters of TH,Ca2+,and Mg2+.Therefore,the first dominant factor was hardness.In the second PC,Cl-,SAR,and Na+were the dominant parameters,which may indicate salinity.The originally acquired factors illustrate natural(existence of geological formations)and anthropogenic(improper disposal of domestic and agricultural wastes)factors which affect the groundwater quality.

New Method for Multivariate Statistical Process Monitoring

A new method using discriminant analysis and control charts is proposed for monitoring multivariate process operations more reliably.Fisher discriminant analysis （FDA） is used to derive a feature discriminant direction （FDD） between each normal and fault operations,and each FDD thus decided constructs the feature space of each fault operation.Individuals control charts （XmR charts） are used to monitor multivariate processes using the process data projected onto feature spaces.Upper control limit （UCL） and lower control limit （LCL） on each feature space from normal process operation are calculated for XmR charts,and are used to distinguish fault from normal.A variation trend on an XmR chart reveals the type of relevant fault operation.Applications to Tennessee Eastman simulation processes show that this proposed method can result in better monitoring performance than principal component analysis （PCA）-based methods and can better identify step type faults on XmR charts.

Joint multivariate statistical model and its applications to the synthetic earthquake prediction

Considering the problems that should be solved in the synthetic earthquake prediction at present, a new model is proposed in the paper. It is called joint multivariate statistical model combined by principal component analysis with discriminatory analysis. Principal component analysis and discriminatory analysis are very important theories in multivariate statistical analysis that has developed quickly in the late thirty years. By means of maximization information method, we choose several earthquake prediction factors whose cumulative proportions of total sam-ple variances are beyond 90% from numerous earthquake prediction factors. The paper applies regression analysis and Mahalanobis discrimination to extrapolating synthetic prediction. Furthermore, we use this model to charac-terize and predict earthquakes in North China (30~42N, 108~125E) and better prediction results are obtained.

Prediction of Coastal Fecal Indicator Bacteria Concentrations Using Multivariate Data Analysis

The application of multivariate data analysis, a method for coping with multi-colinearity among independent variables in analyzing coastal water quality data, is presented. This study investigates the statistical regression modeling of FIB （fecal indicator bacteria） concentrations at the outlet of Talbert Marsh in Orange County, California. The multivariate data modeling utilized FIB and physical variables measurements （n = 5,580） collected during a series of longitudinal study of the Talbert Marsh. For the statistical prediction modeling in predicting the FIB concentrations at the outlet of the Talbert Marsh, multivariate analysis techniques such as PCR （principal components regression）, PLS （partial least-squares） regression and SVM （support vector machine） regression were adopted. Statistical modeling results suggest that the statistical modeling predictions are all fell within the reasonable range of actual measurement data. In addition, it is indicated that the accuracy of SVM regression for predicting FIB concentrations at the Talbert Marsh outlet is better than that of other models.

Quality assessment of Jinhongtang Granule using UFLC-MS/MS and multivariate statistical analysis

Jinhongtang is a traditional Chinese medicine formula composed of Rheum palmatum L.stem,Sargentodoxa cuneata stem,and Taraxacum mongolicum and is used for the treatment of sepsis.However,quality assessment method for Jinhongtang is not available.In present study,we developed a UFLC-MS/MS method to determine 16 analytes in 20 batches of home-made and commercial Jinhongtang.Multivariate statistical analysis revealed the significant differences in the quality of home-made and commercial Jinhongtang and the difference in the quality of home-made samples was more significant.The integrated strategy based on UFLC-MS/MS and multivariate statistical analysis provided a new basis for the overall quality assessment of Jinhongtang.

Study on the Relationship between Soil and Environment Based on Multivariate Statistical Analysis

[Objective] The study aimed to study the relationship between soil and environment on the basis of multivariate statistical analysis. [ Method] Through field investigation, sampling and laboratory analysis, we discussed the relationship between soil properties and environmental factors in Mizhi County, North Shaanxi by using Canoco multivariate statistical analysis. [ Result]According to the effects of various environmental factors on soil properties, the influencing order of environmental factors was land use way 〉 vegetation type 〉 vegetation restoration years 〉 vegeta- tion coverage 〉 slope aspect 〉 gradient 〉 elevation. In a word, soil properties were significantly affected by land use way and vegetation type which were the most important environmental factors of soil properties in spatial variation, while vegetation restoration years were closely related to the ac- cumulation of soil nutrients. [ Condusion]The research could provide theoretical references for the construction of ecological environment in Loess Plateau of China.

Multivariate Statistical Analysis of Large Datasets: Single Particle Electron Microscopy

Biology is a challenging and complicated mess. Understanding this challenging complexity is the realm of the biological sciences: Trying to make sense of the massive, messy data in terms of discovering patterns and revealing its underlying general rules. Among the most powerful mathematical tools for organizing and helping to structure complex, heterogeneous and noisy data are the tools provided by multivariate statistical analysis (MSA) approaches. These eigenvector/eigenvalue data-compression approaches were first introduced to electron microscopy (EM) in 1980 to help sort out different views of macromolecules in a micrograph. After 35 years of continuous use and developments, new MSA applications are still being proposed regularly. The speed of computing has increased dramatically in the decades since their first use in electron microscopy. However, we have also seen a possibly even more rapid increase in the size and complexity of the EM data sets to be studied. MSA computations had thus become a very serious bottleneck limiting its general use. The parallelization of our programs—speeding up the process by orders of magnitude—has opened whole new avenues of research. The speed of the automatic classification in the compressed eigenvector space had also become a bottleneck which needed to be removed. In this paper we explain the basic principles of multivariate statistical eigenvector-eigenvalue data compression;we provide practical tips and application examples for those working in structural biology, and we provide the more experienced researcher in this and other fields with the formulas associated with these powerful MSA approaches.

Water Quality Assessment of a Tropical Mexican Lake Using Multivariate Statistical Techniques

Water quality of Mexican tropical lake Chapala was assessed through multivariate statistical techniques, cluster analysis (CA) and principal component analysis (PCA) at ten different monitoring sites for ten physicochemical variables and six metals. This study evaluated and interpreted complex water quality data sets and apportioned of pollution sources to get better information about water quality. From descriptive statistics results, the highest concentrations of metals occurred during the dry season, and this trend was explained by the fact that an unusual rainy event occurred during the month of February 2009 and brought metals into the lake by runoffs from nearby mountains. According to international criteria for water consumption by aquatic organisms [USEPA], only Zn concentration values were below these criteria whereas the values of Ni, Pb, Cd and Fe were above the corresponding values set in these criteria (Ni: 52 μg·L-1, Pb: 2.5 μg·L-1, Cd: 0.25 μg·L-1, and Fe: 1000 μg·L-1). The correlations were observed by PCA, which were used to classify the samples by CA, based on the PCA scores. Seven significant cluster groups of sampling locations—(sites 4 and 5), (sites 3 and 9), (site 7), (site 10), (sites 2 and 6), (site 8) and (site 1)— were detected on the basis of similarity of their water quality. The results revealed that the stress exerted on the lake caused by waste sources follows the order: domestic > agricultural > industrial.