Search Results - "Gemperline, Paul J"

Soft known-value constraints for improved quantitation in multivariate curve resolution by Akbari Lakeh, Mahsa, Abdollahi, Hamid, Gemperline, Paul J.

“…Multivariate curve resolution (MCR) is a powerful tool in chemometrics that has been involved in the solution of many analytical problems. The introduction of…”
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On the complementary nature of ANOVA simultaneous component analysis (ASCA+) and Tucker3 tensor decompositions on designed multi‐way datasets by Koleini, Farnoosh, Hugelier, Siewert, Lakeh, Mahsa Akbari, Abdollahi, Hamid, Camacho, José, Gemperline, Paul J.

“…The complementary nature of analysis of variance (ANOVA) Simultaneous Component Analysis (ASCA+) and Tucker3 tensor decompositions is demonstrated on designed…”
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Advantages of Soft versus Hard Constraints in Self-Modeling Curve Resolution Problems. Alternating Least Squares with Penalty Functions by Gemperline, Paul J, Cash, Eric

“…A new algorithm for self-modeling curve resolution (SMCR) that yields improved results by incorporating soft constraints is described. The method uses least…”
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Nonlinear multivariate calibration using principal components regression and artificial neural networks by Gemperline, Paul J, Long, James R, Gregoriou, Vasilis G

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Equilibrium Modeling of Mixtures of Methanol and Water by Puxty, Graeme, Maeder, Marcel, Radack, Kyle P., Gemperline, Paul J.

“…An understanding of the species that form in mixtures of alcohol and water is important for their use in liquid chromatography applications. In reverse-phase…”
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Kinetic Modeling of Dissolution and Crystallization of Slurries with Attenuated Total Reflectance UV–Visible Absorbance and Near-Infrared Reflectance Measurements by Hsieh, Chun H, Billeter, Julien, McNally, Mary Ellen P, Hoffman, Ronald M, Gemperline, Paul J

“…Slurries are often used in chemical and pharmaceutical manufacturing processes but present challenging online measurement and monitoring problems. In this…”
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Computation of the Range of Feasible Solutions in Self-Modeling Curve Resolution Algorithms by Gemperline, Paul J

“…Self-modeling curve resolution (SMCR) describes a set of mathematical tools for estimating pure-component spectra and composition profiles from mixture…”
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Comprehensive kinetic model for the dissolution, reaction, and crystallization processes involved in the synthesis of aspirin by Joiner, David E., Billeter, Julien, McNally, Mary Ellen P., Hoffman, Ron M., Gemperline, Paul J.

“…Kinetic modeling of batch reactions monitored by in situ spectroscopy has been shown to be a helpful method for developing a complete understanding of reaction…”
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Spectroscopic calibration and quantitation using artificial neural networks by Long, James R, Gregoriou, Vasilis G, Gemperline, Paul J

“…This article demonstrates the application of artificial neural networks of nonlinear multivariate calibration using spectroscopic data. Neural networks…”
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Experimental monitoring and data analysis tools for protein folding Study of steady-state evolution and modeling of kinetic transients by multitechnique and multiexperiment data fusion by CUTLER, Patrick, GEMPERLINE, Paul J, DE JUAN, Anna

“…Protein folding is a complex process that can take place through different pathways depending on the inducing agent and on the monitored time scale. This…”
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Scale-up of batch kinetic models by Ehly, Maryann, Gemperline, Paul J., Nordon, Alison, Littlejohn, David, Basford, J. Katy, De Cecco, Martin

“…The scale-up of batch kinetic models was studied by examining the kinetic fitting results of batch esterification reactions completed in 75 mL and 5 L…”
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Raw materials testing using soft independent modeling of class analogy analysis of near-infrared reflectance spectra by Gemperline, Paul J, Webber, Laurie D, Cox, Frank O

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Wavelength selection and optimization of pattern recognition methods using the genetic algorithm by Smith, Brandye M, Gemperline, Paul J

“…A genetic algorithm (GA) method for wavelength selection and optimization of near-infrared (NIR) pattern recognition methods was developed to reduce…”
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Generalized rank annihilation method using similarity transformations by Li, Shousong, Hamilton, J. Craig, Gemperline, Paul J

“…Recently several papers have described the generalized rank annihilation method; however, in some cases complex eigenvalues and eigenvectors may appear when…”
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Combination of the Mahalanobis distance and residual variance pattern recognition techniques for classification of near-infrared reflectance spectra by Shah, Nilesh K, Gemperline, Paul J

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Systematic Method for the Kinetic Modeling of Temporally Resolved Hyperspectral Microscope Images of Fluorescently Labeled Cells by Cutler, Patrick J., Haaland, David M., Gemperline, Paul J.

“…In this paper we report the application of a novel method for fitting kinetic models to temporally resolved hyperspectral images of fluorescently labeled cells…”
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Non-negativity constraints for elimination of multiple solutions in fitting of multivariate kinetic models to spectroscopic data by Jaumot, Joaquim, Gemperline, Paul J., Stang, Alexandra

“…Multiple solutions arise when fitting complicated multi‐step kinetic models to spectroscopic data. For consecutive reactions of the type A→B→C this well‐known…”
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Methods for Kinetic Modeling of Temporally Resolved Hyperspectral Confocal Fluorescence Images by Cutler, Patrick J., Haaland, David M., Erikries, David M., Gemperline, Paul J.

“…Elucidating kinetic information (rate constants) from temporally resolved hyperspectral confocal fluorescence images offers some very important opportunities…”
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Principal component analysis, trace elements, and blue crab shell disease by Gemperline, Paul J, Miller, Kevin H, West, Terry L, Weinstein, John E, Hamilton, J. Craig, Bray, John T

“…The blue crabs caught in a localized region of the Pamlico River in North Carolina have had large lesions on their upper carapaces since 1986. This new…”
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Multi-way analysis of trace elements in fish otoliths to track migratory patterns by Gemperline, Paul J, Rulifson, Roger A, Paramore, Lee

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