Environmental chemometrics : principles and modern applications

Included Index.

Introduction Chemometrics-An Overview The Importance of Quantitative Environmental Analysis Common Chemical and Biological Pollutants in Environmental MatricesOverview of Chemometric Methods Used in Environmental Analysis Chapter Summary End of Chapter Problems References Review of Statistics and Analytical Figures of Merit Error and Sampling Considerations Descriptive Statistics Distribution of Repeated Measurements Data Quality Indicators Confidence Intervals Statistical TestsOutlying Results 1Analysis of Variance Regression and Calibration Methods Sensitivity and Limit of Detection Bayesian Statistics Considered Expanded Research Application I-Statistical Merits of Calculating Transfer Coeffi cients Among Environmental MediaReferences Quality Assurance in Environmental Analysis The Role of Chemometrics in Quality Assurance Quality Assurance Considerations Environmental Sampling Protocol-General ConsiderationsQuality Assurance: Sample Collection, Preparation and Storage Field QA/QC Samples Laboratory and Instrumental Methods: QA/QC Samples Standard Addition and Internal Standard MethodsCertified Reference Materials Statistical Quality Control Charts Proficiency TestingData Archiving, Storage, and Auditing Multivariate Quality Assurance/Control-Initial Considerations Expanded Research Application II-Monte Carlo Simulation for Estimating Uncertainty Intervals for the Determination of Nitrate in Drinking Water Chapter Summary End of Chapter Problems References Experimental Design and Optimization Techniques System Theory Review of Linear Regression Models and Matrix Notation Experimental Design Considerations Single Factor Categorical Designs Screening DesignsThree-Level Designs: Response Surface Methodology Doehlert Matrix Design Mixture Designs Expanded Research Application III-Optimized Separation of Benzo[a]Pyrene-Quinone Isomers Using Liquid Chromatography-Mass Spectrometry (LC-MS) and Response Surface Methodology Chapter Summary End of Chapter Problems ReferencesTime Series Analysis Introduction to Time Series AnalysisSmoothing and Digital Filtering Times Series and Forecast Modeling-A Detailed Look ARIMA models Outliers in Time Series AnalysisExport Coeffi cient Modeling Expanded Research Application IV-Export Coefficient Modeling and Time Series Analysis of Phosphorus in a Chalk Stream Watershed Chapter Summary End of Chapter Problems References 02Multivariate Data AnalysisIntroduction to Multivariate Data Analysis Data Preprocessing Correlation AnalysisPattern Recognition-UnsupervisedPattern Recognition-SupervisedK-Nearest Neighbor Classification Soft Independent Modeling of Class Analogy (SIMCA) Multivariate Calibration Methods Multivariate T 2 Control Charts Cusum Control Charts Soft Computing Techniques Expanded Research Application-A Multivariate Study of the Relations Between PM10 Composition and Cell Toxicity Chapter Summary End of Chapter Problems References Appendix I: Common Excel (R) Shortcuts and Key Combinations Appendix II: Symbols Used in Escuder-Gilabert et al. (2007)Appendix III: Review of Basic Matrix Algebra Notation and Operations Appendix IV: Environmental Chain of Custody Index

Multivariate, heterogeneous data has been traditionally analyzed using the 'one at a time' variable approach, often missing the main objective of discovering the relationships among multiple variables and samples. This title provides an introduction to chemometric methods used in environmental chemical analysis.