Publications List

R. Tauler, M. Viana, X. Querol, A. Alastuey, R.M. Flight, P.D. Wentzell and P.K. Hopke," Comparison of the Results Obtained by Four Receptor Modeling Methods in Aerosol Source Apportionment Studies ", Atmosph. Environ. , 43, 3989-3997 (2009).
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R.M. Flight and P.D. Wentzell," Potential Bias in GO::TERMFINDER ", Brief. Bioinform. , 34, 289-294 (2009).
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T.K. Karakach, P.D. Wentzell and J.A. Walter," Characterization of the Measurement Error Structure in 1D ¹ H NMR Data for Metabolomics Studies ", Anal. Chim. Acta, 636, 163-174 (2009).
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P.D. Wentzell, " Other Topics in Soft-Modeling: Maximum Likelihood Based Soft-Modeling Methods ", in Comprehensive Chemometrics, S.D. Brown, R. Tauler and B. Walczak, Eds.; Elsevier, Amsterdam, 2009; vol 2, pp. 507-558.
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H. Hochreiner, M. Cada and P.D. Wentzell, " Modeling of the Response of a Long-Period Fiber Grating to Ambient Refractive Index Change in Chemical Sensing Applications ", J. Lightwave Technol., 26, 1986-1992 (2008).
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H. Hochreiner, M. Cada and P.D. Wentzell, " Tuning the Response of Long-Period Fiber Gratings for Chemical Sensing Applications ", in Next Generation Spectroscopic Technologies, C.D. Brown, M.A. Druy and J.P. Coates, Eds., Proc. SPIE, 6765, 676504 (2007).
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T.K. Karakach, R.M. Flight and P.D. Wentzell, " Bootstrap Method for the Estimation of Measurement Uncertainty in Spotted Dual-Color DNA Microarrays ", Anal. Bioanal. Chem., 389, 2125-2141 (2007).
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T.K. Karakach and P.D. Wentzell, " Methods for Estimating and Mitigating Errors in Spotted, Dual-color DNA Microarrays ", OMICS, 11, 186-199 (2007).
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P.D. Wentzell, T.K. Karakach, S. Roy, M.J. Martinez, C.P. Allen and M. Werner-Washburne, "Multivariate Curve Resolution of Time Course Microarray Data", BMC Bioinformatics, 7, 343 (2006).
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Supplementary Material

Downloads

L. Vega-Montoto and P.D. Wentzell, "Approaching the Direct Exponential Curve Resolution Algorithm from a Maximum Likelihood Pespective", Anal. Chim. Acta, 556, 383-399 (2006).
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A.D. Aragon, G.A. Quinones, C. Allen, J. Thomas, G.S. Davidson, P.D. Wentzell, B. Millier, J.E. Jaetao, A.L. Rodriguez and M. Werner-Washburne, "An Automated, Pressure-Driven Sampling Device for Harvesting from Liquid Cultures for Genomic and Biochemical Analysis", J. Microbiol. Meth.,65, 357-360 (2006).
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L. Vega-Montoto and P.D. Wentzell, "Mathematical Improvements to Maximum Likelihood Parallel Factor Analysis: Experimental Studies", J. Chemom., 19, 236-252 (2005).
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L. Vega-Montoto, H. Gu and P.D. Wentzell, "Mathematical Improvements to Maximum Likelihood Parallel Factor Analysis: Theory and Simulations", J. Chemom., 19, 216-235 (2005).
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P.D. Wentzell and T.K. Karakach, "DNA Microarrays: Is There a Role for Analytical Chemistry?", Analyst, 130, 1331-1336 (2005).
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M. Schuermans, I. Markovsky, P.D. Wentzell and S. Van Huffel, "On the Equivalence between Total Least Squares and Maximum Likelihood PCA", Anal. Chim. Acta, 544, 254-267 (2005).
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M.N. Leger, L. Vega-Montoto and P.D. Wentzell, "Methods for Systematic Investigation of Measurement Error Covariance Matrices", Chemom. Intell. Lab. Syst., 77, 181-205 (2005).
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M.J. Martinez, S. Roy, A.B. Archuletta, P.D. Wentzell, S.S. Anna-Arriola, A.L. Rodriguez, A.D. Aragon, G. Quinones, C. Allen and M. Werner-Washburne, "Genomic Analysis of Stationary Phase and Exit in Saccharomyces Cerevisiae: Gene Expression and Identification of Novel Essential Genes", Mol. Biol. Cell, 15, 5295-5305 (2004).
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M.N. Leger and P.D. Wentzell, "Maximum Likelihood Principal Components Regression on Wavelet-Compressed Data", Appl. Spectrosc., 58, 855-862 (2004).
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L. Vega Montoto and P.D. Wentzell, "Maximum Likelihood Parallel Factor Analysis (MLPARAFAC)", J. Chemomet., 17, 237-253 (2003).
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P.D. Wentzell and L. Vega-Montoto, "Comparison of Principal Components Regression and Partial Least Squares Regression Through Generic Simulations of Complex Mixtures", Chemom. Intell. Lab. Syst., 65, 257-279 (2003).
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S.K. Schreyer, M. Bidinosti and P.D. Wentzell, "Application of Maximum Likelihood Principal Components Regression to Fluorescence Emission Spectra", Appl. Spectrosc., 56, 789-796 (2002).
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M.N. Leger and P.D. Wentzell, "Dynamic Monte Carlo Self-Modeling Curve Resolution Method for Multicomponent Mixtures", Chemom. Intell, Lab. Syst., 62, 171-188 (2002).
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P.D. Wentzell, S.S. Nair and R.D. Guy, "Three-Way Analysis of Fluorescence Spectra of Polycyclic Aromatic Hydrocarbons with Quenching by Nitromethane", Anal. Chem., 73, 1408-1415 (2001).
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C.D. Brown, L. Vega-Montoto and P.D. Wentzell, "Derivative Preprocessing and Optimal Corrections for Baseline Drift in Multivariate Calibration", Appl. Spectrosc., 54, 1055-1068 (2000).
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C.D. Brown and P.D. Wentzell, "A Modification to Window Target-Testing Factor Analysis Using a Gaussian Window", Chemom. Intell. Lab. Syst., 51, 3-7 (2000).
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P.D. Wentzell and C.D. Brown, "Signal Processing in Analytical Chemistry", in Encyclopedia of Analytical Chemistry, R.A. Meyers, Ed. Wiley, Chichester, UK, 2000, 11, pp. 9764-9800.
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P.D. Wentzell, D.T. Andrews, J.M. Walsh, J.M. Cooley and P. Spencer, "Estimation of Hydrocarbon Types in Light Gas Oils and Diesel Fuels by Ultraviolet Absorption Spectroscopy and Multivariate Calibration", Can. J. Chem., 77, 391-400 (1999).
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Data
M.T. Lohnes, R.D. Guy and P.D. Wentzell, "Window Target-Testing Factor Analysis: Theory and Application to the Chromatographic Analysis of Complex Mixtures with Multiwavelength Fluorescence Detection", Anal. Chim. Acta, 389, 95-113 (1999).
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C.D. Brown and P.D. Wentzell, "Hazards of Digital Smoothing Filters as a Preprocessing Tool in Multivariate Calibration", J. Chemomet., 13, 133-152 (1999).
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P.D. Wentzell and M.T. Lohnes, "Maximum Likelihood Principal Component Analysis with Correlated Measurement Errors: Theoretical and Practical Considerations", Chemom. Intell. Lab. Syst., 45, 65-85 (1999).
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P.D. Wentzell, J.-H. Wang, L.F. Loucks and K.M. Miller, "Direct Optimization of Self-Modeling Curve Resolution: Application to the Kinetics of the Permanagante-Oxalic Acid Reaction", Can. J. Chem., 76, 1144-1155 (1998).
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S.A. Mehlman, P.D. Wentzell and V.L. McGuffin, "Prediction of Simple Physical Properties of Mixed Solvent Systems by Artificial Neural Networks", Anal. Chim. Acta, 371, 117-130 (1998).
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R.D. Guy, L. Ramaley and P.D. Wentzell, "An Experiment in the Sampling of Solids for Chemical Analysis", J. Chem. Educ., 75, 1028-1033 (1998).
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D.T. Andrews and P.D. Wentzell, "Applications of Maximum Likelihood Principal Component Analysis: Incomplete Data Sets and Calibration Transfer", Anal. Chim. Acta, 350, 341-352 (1997).
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P.D. Wentzell, D.T. Andrews and B.R. Kowalski, "Maximum Likelihood Multivariate Calibration", Anal. Chem., 69, 2299-2311 (1997).
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P.D. Wentzell, D.T. Andrews, D.C. Hamilton, K. Faber and B.R. Kowalski, "Maximum Likelihood Principal Component Analysis", J. Chemomet., 11, 339-366 (1997).
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D.T. Andrews, L. Chen, P.D. Wentzell and D.C. Hamilton, "Comments on the Relationship Between Principal Component Analysis and Weighted Regression for Bivariate Data Sets", Chemom. Intell. Lab. Syst., 34, 231-244 (1996).
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K.B. Thurbide, P.D. Wentzell and W.A. Aue, "Acoustic Flame Detector for Gas Chromatography", Anal. Chem., 68, 2758-2765 (1996).
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P.D. Wentzell, S.J. Vanslyke and S.G. Hughes, "Parallel Digital Filters for Ordered Spectral Data Sets", in Computer-Enhanced Analytical Spectroscopy, S.D. Brown, Ed., Wiley, 1996, pp. 139-173.
M.J. Little and P.D. Wentzell, "Evaluation of Acoustic Emission as a Means of Carbonate Detection", Anal. Chim. Acta, 309, 283-292 (1995).
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S.G. Hughes and P.D. Wentzell, "Evolving Projection Analysis of Multicomponent Mixtures", Talanta, 42, 1361-1371 (1995).
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P.D. Wentzell, S.G. Hughes and S.J. Vanslyke, "Parallel Kalman Filters for Peak Purity Analysis: Extensions to Non-Ideal Detector Response", Anal. Chim. Acta, 307, 459-470 (1995).
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P.D. Wentzell, N.G. Sundin and C. Hogeboom, "Response Surfaces for the Determination of Arsenic(III) by Hydride Generation Atomic Absorption Spectrometry and Flow Injection", Analyst, 119, 1403-1411 (1994).
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S.G. Hughes, E.L. Taylor, P.D. Wentzell, R.F. McCurdy and R.K. Boss, "Models for Conductance Measurements in the Quality Assurance of Water Analysis", Anal. Chem., 66, 830-835 (1994).
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S.J. Vanslyke and P.D. Wentzell, "Limitations of Evolving Principal Components Innovation Analysis for Peak Purity Detection in Chromatography", Chemom. Intell. Lab. Syst., 20, 183-195 (1993).
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P.D. Wentzell, M.R. Bowdridge, E.L. Taylor and C. MacDonald, "Random Walk Simulation of Flow Injection Analysis: Evaluation of Dispersion Profiles", Anal. Chim. Acta, 278, 293-306 (1993).
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R.L. White, P.D. Wentzell, M.A. Beasy, D.S. Clark and D.W. Grund, "Taxonomy of Amanita Mushrooms by Pattern Recognition of Amino Acid Chromatographic Data", Anal. Chim. Acta, 277, 333-346 (1993).
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M. Lopez-Nieves, P.D. Wentzell and S.R. Crouch, "Continuous Flow Method for the Determination of Aromatic Aldehydes", Anal. Chim. Acta, 258, 253-258 (1992).
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I.H. Brock, O. Lee, K.A. Soulsbury, P.D. Wentzell, D.B. Sibbald and A.P. Wade, "Toolbox for Chemical Acoustic Emission Data Acquisition and Analysis", Chemom. Intell. Lab. Syst., 12, 271-290 (1992).
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P.D. Wentzell and S.J. Vanslyke, "Parallel Kalman Filter Networks for Kinetic Methods of Analysis", Anal. Chim. Acta, 257, 173-181 (1992).
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S.J. Vanslyke and P.D. Wentzell, "Real-Time Principal Components Analysis Using Parallel Kalman Filter Networks for Peak Purity Analysis", Anal. Chem., 63, 2512-2519 (1991).
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T.G. Crowther, A.P. Wade, P.D. Wentzell and R. Gopal, "Characterization of Acoustic Emission from an Electrolysis Cell", Anal. Chim. Acta, 254, 223-234 (1991).
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P.D. Wentzell, O. Lee and A.P. Wade, "Comparison of Pattern Recognition Descriptors for Chemical Acoustic Emission Analysis", J. Chemomet., 5, 389-403 (1991).
P.D. Wentzell and N.G. Sundin, "Versatile Pump Controller for Continuous Flow Methods", Anal. Instrum., 19, 167-179 (1991).
A.P. Wade, D.B. Sibbald, M.N. Bailey, R.M. Belchamber, S. Bittman, J.A. MacLean and P.D. Wentzell, "An Analytical Perspective on Acoustic Emission", Anal. Chem., 63, 497A-507A (1991).
P.D. Wentzell, S.J. Vanslyke and K.P. Bateman, "Evaluation of Acoustic Emission as a Means of Quantitative Chemical Analysis", Anal. Chim. Acta, 246, 43-53 (1991).
A.P. Wade, P.M. Shiundu and P.D. Wentzell, "Automated Exploration and Exploitation of Flow-Injection Response Surfaces", Anal. Chim. Acta, 237, 361379 (1990).
O. Lee, P.D. Wentzell, D.A. Boyd and A.P. Wade, "Programming Control and Data Acquisition Routines for the IEEE-488 Instrumentation Interface", Trends in Anal. Chem., 9, 217-222 (1990).
P.D. Wentzell, "Solution Robotics: The Chemist's Workbench", Chemom. Intell. Lab. Syst., 8, 283288 (1990).
P.M. Shiundu, A.P. Wade and P.D. Wentzell, "Spectrophotometric Determination of Palladium with Sulfochlorophenolazorhodanine by Flow Injection", Talanta, 37, 329-336 (1990).
M. Lopez-Nieves, P.D. Wentzell and S.R. Crouch, "Kinetics of the Reaction between Aromatic Aldehydes and o-Dianisidine", Anal. Chem., 62, 304-308 (1990).
P.D. Wentzell, S.J. Vanslyke and A.P. Wade, "Programming Direct Memory Access Data Acquisition", Trends in Anal. Chem., 9, 3-8 (1990).
P.D. Wentzell, M.J. Hatton, P.M. Shiundu, R.M. Ree, A.P. Wade, D. Betteridge and T.J. Sly, "Computer-Controlled Apparatus for Automated Development of Continuous Flow Methods", J. Automat. Chem., 11, 227-234 (1989).
P.D. Wentzell and A.P. Wade, "Chemical Acoustic Emission Analysis in the Frequency Domain", Anal. Chem., 61, 2638-2642 (1989).
P.D. Wentzell, M.I. Karayannis and S.R. Crouch, "Simultaneous Kinetic Determinations with the Kalman Filter", Anal. Chim. Acta, 224, 263-274 (1989).
D.B. Sibbald, P.D. Wentzell and A.P. Wade, "Display Methods for Dendrograms", Trends in Anal. Chem., 8, 289-291 (1989).
P.D. Wentzell, A.P. Wade and S.R. Crouch, "Modeling Chemical Response Surfaces with the Kalman Filter", Anal. Chem., 60, 905-911 (1988).
P.D. Wentzell, T.P. Doherty and S.R Crouch, "Frequency Response of Initial Point Least Squares Polynomial Filters", Anal. Chem., 59, 367371 (1987).
P.D. Wentzell and S.R. Crouch, "Comparison of Reaction-Rate Methods of Analysis for Systems Following First-Order Kinetics", Anal. Chem., 58, 2855-2858 (1986).
P.D. Wentzell and S.R. Crouch, "Reaction-Rate Method of Analysis Insensitive to Changes in Rate Constant", Anal. Chem., 58, 2851-2855 (1986).

Theses

Robert M. Flight, "A Workflow for the Analysis of DNA Microarray Time Course Data", Ph.D. Thesis, June 2009.
Hannes Hochreiner, "Modeling Long-Period Fibre Gratings in Chemical Sensing Applications", Ph.D. Thesis, January 2008.
Tobias K. Karakach, "Analysis of Gene Expression Microarray Data by Multivariate Curve Resolution", Ph.D. Thesis, October 2006.
Lorenzo J. Vega Montoto, "Maximum Likelihood Methods for Three-Way Analysis in Chemistry", Ph.D. Thesis, April 2005.
Marc N. Leger, "Measurement Errors and Signal Preprocessing in Spectroscopy", Ph.D. Thesis, September 2004.
Tobias K. Karakach, "Comparison of Linear and Nonlinear Multivariate Calibration Methods", MSc Thesis, September 2002.
Marc N. Leger, "Dynamic Monte Carlo Self-Modeling Curve Resolution Method for Multicomponent Mixtures", MSc Thesis, August 2001.
Lorenzo J. Vega Montoto, "Study of the Performance of Principal Component Regression and Partial Least Squares Regression Using Simulation of Complex Mixtures", MSc Thesis, August 2001.
Christopher D. Brown, "Rational Processing in Multivariate Calibration", Ph.D. Thesis, August 2000.
Mitchell T. Lohnes, "Multivariate Approaches to Qualitative and Quantitative Analysis in Chemistry: 1. Calibration with Correlated Errors, 2. Window Target-Testing Factor Analysis", MSc Thesis, June 1998.
Stephanie A. Mehlman, "Modeling Mixtures in Chemistry: Some Nonlinear Optimization Problems", MSc Thesis, December 1997.
Darren T. Andrews, "Maximum Likelihood Multivariate Methods in Analytical Chemistry", Ph.D. Thesis, May 1997.
Stephen G. Hughes, "Chemometrics for Ordered and Disordered Data Sets", Ph.D. Thesis, December 1995.
Stephen J. Vanslyke, "Enhancements to Multidimensional Methods in Analytical Chemistry", Ph.D. Thesis, May 1994.
Nils G. Sundin, "Automated Mapping of Response Surfaces for Continuous Flow Methods of Analysis", MSc Thesis, December 1991.