Publications
E. Barbieri da Silva Cruz, M.R. Baqueta, R.M. Neto, M.S.V.P. Oviedo, A. da Silva Castilho de Melo, P.H. Março, P. cia Valderrama, S. Driscoll, P.D. Wentzell. Kurtosis-based projection pursuit analysis to extract information from sensory attributes of cachaça. Chemom. Intell. Lab. Syst., (2020). (doi.org/10.1016/j.chemolab.2020.104075).
S. Driscoll, Y. MacMillan, P.D. Wentzell. Sparse Projection Pursuit Analysis: An Alternative for Exploring Multivariate Chemical Data. Anal. Chem., (2019). (doi.org/10.1021/acs.analchem.9b03166).
C. Martinez-Farina, S. Driscoll, C. Wicks, R.G. Chapman, P.D. Wentzell, F. Berrue. Chemical barcoding: an NMR based approach to ensuring the quality and safety of natural ingredients. J. Agric. Food Chem., (2019). (doi.org/10.1021/acs.jafc.9b01066).
S. Driscoll, M. Dowd, P.D. Wentzell, "Simulation of 1/fα Noise for Analytical Measurements", J. Chemometr., (2019). (doi: 10.1002/cem.3137).
S. Driscoll, P.D. Wentzell, "NoiseGen - Analytical Measurement Noise Simulation Software", Chemom. Intell. Lab. Syst., (2019). (doi: 10.1016/j.chemolab.2019.04.011).
P.D. Wentzell, C.C. Wicks, J.W.B. Braga, L.F. Soares, T.C.M. Pastore, V.T.R. Coradin, F. Davrieux, "Implications of Measurement Error Structure on the Visualization of Multivariate Chemical Data: Hazards and Alternatives.", Can. J. Chem, (2018). (doi: 10.1139/cjc-2017-0730).
P.D. Wentzell, C.S. Cleary, M. Kompany-Zareh, "Improved Modeling of Multivariate Measurement Errors based on the Wishart Distribution", Anal. Chim. Acta, 959, 1-14 (2017). (Feature Article) (doi: 10.1016/j.aca.2016.12.009).
J.F.Q. Pereira, C.S.Silva, A. Braz, M.F. Pimentel*, R.S. Honorato, C. Pasquini, Peter D. Wentzell, "Projection Pursuit and PCA Associated with Near and Middle Infrared Hyperspectral Images to Investigate Forensic Cases of Fraudulent Documents", Microchem. J., 130, 412-419 (2017) . (doi: 10.1016/j.microc.2016.10.024).
F. Allegrini, P.D. Wentzell* and A. Olivieri*, "Generalized Error-dependent Prediction Uncertainty in Multivariate Calibration", Anal. Chim Acta, 903, 51-60 (2016). (doi: 10.1016/j.aca.2015.11.028).
P.D. Wentzell*, S. Hou, C.S. Silva, C.C. Wicks and M.F. Pimentel, "Procrustes Rotation as a Diagnostic Tool for Projection Pursuit Analysis", Anal. Chim. Acta, 877, 51-63 (2015). (doi: 10.1016/j.aca.2015.03.006).
S. Hou*, P.D. Wentzell and C.B.Riley, "Simple Methods for the Optimization of Complex-Valued Kurtosis as a Projection Index", J. Chemometr., 29, 224-236 (2015). (doi: 10.1002/cem.2700).
P.D. Wentzell* and A.C. Tarasuk, "Characterization of Heteroscedastic Measurement Noise in the Absence of Replicates", Anal. Chim. Acta, 847, 16-28 (2014). (doi: 10.1016/j.aca.2014.08.007).
S. Hou and P.D. Wentzell*, "Regularized Projection Pursuit for Data with a Small Sample-to-Variable Ratio", Metabolomics, 10, 589-606 (2014). (doi: 10.1007/s11306-013-0612-z).
P.D. Wentzell*, "Measurement Errors in Multivariate Chemical Data", J. Braz. Chem. Soc., 25, 183-196 (2014). (Invited Article, Cover Article). (doi: 10.5935/0103-5053.20130293).
S. Hou and P.D. Wentzell*, "Re-centered Kurtosis as a Projection Pursuit Index for Multivariate Data Analysis", J. Chemometr., 28, 370-384 (2014). (Special Issue in Honor of Bruce Kowalski). (doi: 10.1002/cem.2568).
J.M. Boutilier, H. Warden, A.A. Doucette and P.D. Wentzell*, "Chromatographic Behaviour of Peptides Following Dimethylation with H2/D2-Formaldehyde: Implications for Comparative Proteomics", J. Chromatography B, 908, 59-66 (2012). (doi: 10.1016/j.jchromb.2012.09.035).
H.-P. Loock* and P.D. Wentzell, "Detection Limits of Chemical Sensors: Applications and Misapplications", Sens. Actuators B: Chem., 173, 157-163 (2012). (doi: 10.1016/j.snb.2012.06.071).
P.D. Wentzell* and S. Hou, "Exploratory Data Analysis with Noisy Measurements", J. Chemometr., 26, 264-281 (2012). (doi: 10.1002/cem.2428).
P.M. Santos, P.D. Wentzell, and E.R. Pereira-Filho*, "Scanner Digital Images Combined with Color Parameters: A Case Study to Detect Adulterations in Liquid Cow's Milk", Food Anal. Methods, 5, 89-95 (2012). (doi:10.1007/s12161-011-9216-2).
S. Hou and P.D. Wentzell*, "Fast and Simple Methods for the Optimization of Kurtosis used as a Projection Pursuit Index", Anal. Chim. Acta, 704, 1-15 (2011). (doi:10.1016/j.aca.2011.08.006).
I. Stanimirova, K. Michalik, Z. Drzazga, H. Trzeciak, P.D. Wentzell, and B.Walczak*, "Interpretation of Analysis of Variance Models using Principal Component Analysis to Assess the Effect of a Maternal Anticancer Treatment on the Mineralization of Rat Bones", Anal. Chim. Acta, 689, 1-7 (2011). (doi:10.1016/j.aca.2011.01.008).
T.K. Karakach, R.M. Flight, S.E. Douglas and P.D. Wentzell*, "An Introduction to DNA Microarrays for Gene Expression Analysis", Chemom. Intell. Lab. Syst., 104, 28-52 (2010). (doi:10.1016/j.chemolab.2010.04.003).
R.M. Flight and P.D. Wentzell*, "Preliminary Exploration of Time-Course DNA Microarray Data with Correlation Maps", OMICS, 14, 99-107 (2010). (doi: 10.1089/omi.2009.0096).
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).
R.M. Flight and P.D. Wentzell," Potential Bias in GO::TERMFINDER ", Brief. Bioinform., 34, 289-294 (2009).
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).
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.
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).
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).
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).
T.K. Karakach and P.D. Wentzell," Methods for Estimating and Mitigating Errors in Spotted, Dual-color DNAMicroarrays ", OMICS, , 186-199 (2007).
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).
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).
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).
L. Vega-Montoto and P.D. Wentzell, "Mathematical Improvements to Maximum Likelihood Parallel Factor Analysis: Experimental Studies", J. Chemom, 19, 236-252 (2005).
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).
P.D. Wentzell and T.K. Karakach, "DNA Microarrays: Is There a Role for Analytical Chemistry?", Analyst, 13, 1331-1336 (2005).
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).
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).
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).
M.N. Leger and P.D. Wentzell, "Maximum Likelihood Principal Components Regression on Wavelet-Compressed Data", Appl. Spectrosc, 58, 855-862 (2004).
L. Vega Montoto and P.D. Wentzell, "Maximum Likelihood Parallel Factor Analysis (MLPARAFAC)", J. Chemomet, 17, 237-253 (2003).
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).
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).
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).
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).
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).
C.D. Brown and P.D. Wentzell, "A Modification to Window Target-Testing Factor Analysis Using a Gaussian Window", Chemom. Intell. Lab. Syst, 5, 3-7 (2000).
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, , pp. 9764-9800.
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).
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).
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).
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).
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).
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, 37, 117-130 (1998).
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).
D.T. Andrews and P.D. Wentzell, "Applications of Maximum Likelihood Principal Component Analysis: Incomplete Data Sets and Calibration Transfer", Anal. Chim. Acta, 35, 341-352 (1997).
P.D. Wentzell, D.T. Andrews and B.R. Kowalski, "Maximum Likelihood Multivariate Calibration", Anal. Chem, 69, 2299-2311 (1997).
P.D. Wentzell, D.T. Andrews, D.C. Hamilton, K. Faber and B.R. Kowalski, "Maximum Likelihood Principal Component Analysis", J. Chemomet, , 339-366 (1997).
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).
K.B. Thurbide, P.D. Wentzell and W.A. Aue, "Acoustic Flame Detector for Gas Chromatography", Anal. Chem, 68, 2758-2765 (1996).
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).
S.G. Hughes and P.D. Wentzell, "Evolving Projection Analysis of Multicomponent Mixtures", Talanta, 42, 1361-1371 (1995).
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).
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).
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).
S.J. Vanslyke and P.D. Wentzell, "Limitations of Evolving Principal Components Innovation Analysis for Peak Purity Detection in Chromatography", Chemom. Intell. Lab. Syst, 2, 183-195 (1993).
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).
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).
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).
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).
P.D. Wentzell and S.J. Vanslyke, "Parallel Kalman Filter Networks for Kinetic Methods of Analysis", Anal. Chim. Acta, 257, 173-181 (1992).
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).
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).
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, , 227-234 (1989).
P.D. Wentzell and A.P. Wade, "Chemical Acoustic Emission Analysis in the Frequency Domain", Anal. Chem, 6, 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, 6, 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).