TY  - BOOK
AU  - Hanrahan,Grady
TI  - Environmental chemometrics: principles and modern applications 
T2  - Analytical chemistry
SN  - 9781420067965
AV  - QD75.4.C45 H56 2009
PY  - 2009///]
CY  - Boca Raton
PB  - CRC Press
KW  - Chemometrics
KW  - Environmental chemistry
N1  - Includes bibliographical references and index; TABLE OF CONTENTS; Preface; Dedication; Acknowledgements; Author Biography; 1. Introduction; 1.1. Chemometrics ¿ An Overview; 1.2. The Importance of Quantitative Environmental Analysis; 1.3. Common Chemical and Biological Pollutants in Environmental Matrices; 1.3.1. Air; 1.3.2. Water; 1.3.3. Soil and Sediments; 1.4. Overview of Chemometric Methods used in Environmental Analysis; 1.5. Chapter Summary; 1.6. Key Terms; 1.7. End of Chapter Problems; 1.8. References; 2. Review of Statistics and Analytical Figures of Merit; 2.1. Error and Sampling Considerations; 2.2. Descriptive Statistics; 2.3. Distribution of Repeated Measurements; 2.4. Data Quality Indicators (DQIs); 2.4.1. Primary DQIs; 2.4.2. Secondary DQIs; 2.5. Confidence Intervals; 2.6. Statistical Tests; 2.7. Outlying Results; 2.8. Analysis of Variance; 2.9. Regression and Calibration Methods; 2.10. Sensitivity and Limit of Detection; 2.11. Bayesian Statistics Considered; 2.12. Expanded Research Application I-Statistical Merits of Calculating Transfer;  Coefficients between Environmental Media; 2.13. Introduction to Excel; 2.14. Chapter Summary; 2.15. Key Terms; 2.16. End of Chapter Problems; 2.17. References; 3. Quality Assurance in Environmental Analysis; 3.1. The Role of Chemometrics in Quality Assurance; 3.2. Quality Assurance Considerations; 3.2.1. Project Planning and Preparation; 3.2.2. Traceability; 3.2.3. Sample Handling and Chain of Custody; 3.2.4. Accreditation; 3.2.5. Good Laboratory Practice; 3.3. Environmental Sampling Protocol - General Considerations; 3.4. Quality Assurance: Sample Collection, Preparation and Storage; 3.4.1. Sampling Design; 3.4.2. Sample Collection, Preservation and Storage; 3.5. Field QA/QC Samples; 3.6. Laboratory and Instrumental Methods: QA/QC Samples; 3.7. Standard Addition and Internal Standard Methods; 3.8. Certified Reference Materials; 3.9. Statistical Quality Control Charts; 3.10. Proficiency Testing; 3.11. Data Archiving, Storage and Auditing; 3.12. Multivariate Quality Assurance/Control ¿ Initial Considerations; 3.13. Expanded Research Application II ¿ Monte Carlo Simulation for Estimating;  Uncertainly Intervals for the Determination of Nitrate in Drinking Water; 3.14. Chapter Summary; 3.15. Key Terms; 3.16. End of Chapter Problems; 3.17. References; 4. Experimental Design and Optimization Techniques; 4.1. System Theory; 4.2. Review of Linear Regression Models and Matrix Notation; 4.3. Experimental Design Considerations; 4.3.1. Experimental Uncertainty and Replication; 4.3.2. Sample Size and Power; 4.3.3. Blocking and Randomization; 4.3.4. Orthogonality; 4.3.5. Confounding; 4.3.6. Center Points; 4.4. Single Factor Categorical Designs; 4.4.1. Randomized Block Designs; 4.4.2. Latin Square Design; 4.4.3. Greco Latin Square Design; 4.5. Screening Designs; 4.5.1. Full Factorial Designs (Two Levels per Factor); 4.5.2. Fractional Factorial Designs (Two Levels per Factor); 4.5.3. Plackett-Burman and Taguchi Designs; 4.6. Three-Level Designs: Response Surface Designs; 4.6.1. Central Composite Designs; 4.6.2. Box-Behnken Design; 4.7. Doehlert Matrix Design; 4.8. Mixture Designs; 4.8.1. Simplex Centroid Designs; 4.8.2. Simplex Lattice Designs; 4.8.3. Split-Plot Mixture Designs; 4.8.4. Simplex Optimization; 4.9. Expanded Research Application III ¿ Optimized Separation of Benzo [a] pyrene-;  Quinone Isomers Using Liquid Chromatography-Mass Spectrometry (LC-MS) and;  Response Surface Methodology; 4.10. Chapter Summary; 4.11. Key Terms; 4.12. End of Chapter Problems; 4.13. References; 5. Time Series Analysis; 5.1. Introduction to Time Series Analysis; 5.2. Smoothing and Digital Filtering; 5.2.1. Moving Average Smoothing; 5.2.2. Exponential Smoothing; 5.3. Time Series and Forecast Modeling ¿ A Detailed Look; 5.3.1. Model Choice and Diagnostics; 5.3.2. Harmonic Analysis Techniques; 5.4. Autoregressive Integrated Moving Average Models; 5.4.1. Non-Seasonal ARIMA Models; 5.4.2. Seasonal ARIMA Models; 5.5. Outliers in Time Series Analysis; 5.6. Export Coefficient Modeling; 5.7. Expanded Research Application IV- Export Coefficient Modeling and Time Series;  Analysis of Phosphorus in a Chalk Stream Watershed; 5.8. Chapter Summary; 5.9. Key Terms; 5.10. End of Chapter Problems; 5.11. References; 6. Multivariate Data Analysis; 6.1. Introduction to Multivariate Data Analysis; 6.2. Data Pre-Processing; 6.3. Correlation Analysis; 6.3.1. Correlation Matrix; 6.3.2. Inverse Correlations, Partial Correlations and Covariance Matrix; 6.3.3. Pairwise Correlations; 6.3.4. Fit Functions; 6.3.5. Scatterplot Matrix; 6.3.6. Color Maps and 3D Ellipsoid Plots; 6.3.7. Nonparametric Correlations; 6.4. Pattern Recognition ¿ Unsupervised; 6.4.1. Cluster Analysis; 6.4.2. Factor Analytic Techniques; 6.5. Pattern Recognition ¿ Supervised; 6.5.1. Discriminant Analysis; 6.6. K ¿ Nearest Neighbor Classification; 6.7. Soft Independent Modeling of Class Analogy (SIMCA); 6.8. Multivariate Calibration Methods; 6.8.1. Multivariate Linear Regression; 6.8.2. Partial Least Squares; 6.8.3. Principal Component Regression; 6.9. Multivariate T2 Control Charts; 6.10. Cusum Control Charts; 6.11. Soft Computing Techniques; 6.11.1. Artificial Neural Networks; 6.11.2. Fuzzy Logic; 6.12. Expanded Research Application V ¿ A Multivariate Study of the Relations between;  PM10 Composition and Cell Toxicity; 6.13. Chapter Summary; 6.14. Key Terms; 6.15. End of Chapter Problems; 6.16. References; Appendix I. Common Excel Shortcuts and Key Combinations; Appendix II. Symbols used in Escuder¿Gilabert and others (2007); Appendix III. Review of Basic Matrix Algebra Notation and Operations; Appendix IV. Environmental Chain of Custody Example
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