Research
Chemometric Tools
Analytical Chemistry
Chemical Education
Agriculture Research
Pharmaceuticals
Consensus Modeling Approach
Calibration Maintenance
Applied Spectroscopy
Food Chemistry
Calibration Methods
Ranking Differences
Feasibility Study
Tuning Parameter Selection
Rare Earth Elements
Trace Metals, Trace Metal
Reference Analyte Values
New Geographical Region
Reference Samples
Adulterant Quantitation
Intelligent Laboratory Systems
Target Factor Analysis
Benchmark Data Sets
Classification Purposes
Full Production
New Tablet Types
Regularization Processes
Food Adulteration
Select Model Tuning Parameters
Regularization Variants
Standardization Sample Design, Standardization Sample Designs
Norm Variants
Model Updating
Nonlinear Data
General Chemistry Laboratory
Research Supportive Curriculum Format
Biochemical Data Analysis
Uncertainty Estimation
Biomedical Analysis
Two Norm
Filter Factor Representation
Harmonious Approach
Analytical Letters
Linear Regression Modeling
Service Learning Project
Retention Indices
Workplace Skills
Instrumental Analysis
Quantifying Selectivity
Practical Guide
Active Learning
Research Supportive Curricula
Analytical Sciences
Non Linear Data
Regression Model Determinations
Calibration Set
General Form
Distribution Functions
Applied Chemistry
Relative Standard Deviations
Molecular Design
Multivariate Regression Methods
Multicomponent Analysis
Infrared Spectroscopy
Basis Sets
Raman Spectroscopy
Quantitative Analysis
Urine Analysis
Noise Assessment
Singular Values, Singular Value
Generalized Simulated Annealing
Live Fish
Mathematical Analysis
Principal Component Selection Methods
Selectivity Measures
Spectroscopic Analysis
Cooperative Learning Techniques
Order Data
Physical Properties
Environmental Laboratory
Geological Survey
Water Resources Investigations Report
Condition Index
Related Measures
Local Prediction Models
Two Data Sets
Global Prediction Model
Component Regression
Genetic Algorithm
Comparative Study
Selecting Factors
Recent Developments
Chemical Optimization Problems
Variable Selection
Forward Selection
Global Perspective
Optimal Analysis Sample Predictions
Qualitative Analysis
Calibration Design
Profile Library Searches
Global Optimization
Generalized Standard Addition Method
Multivariate Methods
Parameter Estimations
Existing Set
Calibration Sample Selection
Variable Step Size
Simplex Optimized
Error Analysis
Experimental Design, Experimental Designs
Multicomponent Systems
Optimal Parameters
Nonlinear Models
Multicomponent Determination
Iterative Refinement
Condition Numbers
List of Publications (115)
In 2015
115
Sum of ranking differences (SRD) to ensemble multivariate calibration model merits for tuning parameter selection and comparing calibration methods. John H. Kalivas Kroly Hberger Erik Andries
Found on Publication Page
In 2014
114
Data fusion for food authentication. Combining rare earth elements and trace metals to discriminate Fava Santorinis from other yellow split peas using chemometric tools. Spiros A. Drivelos Kevin Higgins John H. Kalivas Serkos A. Haroutounian Constantinos A. Georgiou
Found on Publication Page
113
Identifying authentic and/or adulterated food products followed by adulterant quantitation without reference samples: Application to Fava Santorinis and extra virgin olive oil. John H. Kalivas Kevin Higgins Constantinos A. Georgiou Marianna Mira Ilias Tsafaras George A. Mousdis Eleftherios Petrakis Spiros A. Drivelos Serkos A. Haroutounian
Found on Publication Page
112
Characterizing multivariate calibration tradeoffs (bias, variance, selectivity, and sensitivity) to select model tuning parameters. John H. Kalivas Jon Palmer
Found on Publication Page
111
Food adulteration analysis without laboratory prepared or determined reference food adulterant values. John H Kalivas Constantinos A Georgiou Marianna Moira Ilias Tsafaras Eleftherios A Petrakis George A Mousdis
Found on Publication Page
In 2013
110
Interrelationships between generalized Tikhonov regularization, generalized net analyte signal, and generalized least squares for desensitizing a multivariate calibration to interferences. Erik Andries John H. Kalivas
Found on Publication Page
109
A consensus modeling approach to update a spectroscopic calibration. Parviz Shahbazikhah John H. Kalivas
Found on Publication Page
In 2012
108
J. Farrell, K. Higgins, J.H. Kalivas: "Updating a Near-Infrared Multivariate Calibration Model Formed with Lab-Prepared Pharmaceutical Tablet Types to New Tablet Types in Full Production", Journal of Pharmaceutical and Biomedical Analysis, 61, 114-121 (2012).
Found on Publication Text
107
Spectral Multivariate Calibration without Laboratory Prepared or Determined Reference Analyte Values. Josh Ottaway Jeremy A Farrell John H Kalivas
Found on Publication Page
106
Overview of two-norm (L2) and one-norm (L1) Tikhonov regularization variants for full wavelength or sparse spectral multivariate calibration models or maintenance. John H. Kalivas
Found on Publication Page
105
Evaluation of target factor analysis and net analyte signal as processes for classification purposes with application to benchmark data sets and extra virgin olive oil adulterant identification. Karoly Heberger Kevin Higgins John H. Kalivas Erik Andries
Found on Publication Page
In 2011
104
M.R. Kunz, J. Ottaway, J.H. Kalivas, C.A. Georgiou, G.A. Mousdis: "Updating a Synchronous Fluorescence Spectroscopic Virgin Olive Oil Adulteration Calibration to a New Geographical Region", Journal of Agricultural and Food Chemistry, 59, 1051-1057 (2011).
Found on Publication Text
103
Updating a near-infrared multivariate calibration model formed with lab-prepared pharmaceutical tablet types to new tablet types in full production. Jeremy A Farrell Kevin Higgins John H Kalivas
Found on Publication Page
102
Updating a Synchronous Fluorescence Spectroscopic Virgin Olive Oil Adulteration Calibration to a New Geographical Region. Matthew Ross Kunz Joshua Ottaway John H Kalivas Constantinos A Georgiou George A Mousdis
Found on Publication Page
In 2010
101
Spectral Multivariate Calibration with Wavelength Selection Using Variants of Tikhonov Regularization. Joshua Ottaway John H Kalivas Erik Andries
Found on Publication Page
100
Model Updating for Spectral Calibration Maintenance and Transfer Using 1-Norm Variants of Tikhonov Regularization. M Ross Kunz John H Kalivas Erik Andries
Found on Publication Page
99
Impact of standardization sample design on Tikhonov regularization variants for spectroscopic calibration maintenance and transfer. Matthew R. Kunz Joshua Ottaway John H. Kalivas Erik Andries
Found on Publication Page
98
Multivariate calibration leverages and spectral Fratios via the filter factor representation. Erik Andries John H. Kalivas
Found on Publication Page
In 2009
97
J.H. Kalivas (section editor): "Linear Regression Modeling" in Comprehensive Chemometrics: Chemical and Biochemical Data Analysis, editors-in-chief S. Brown, R. Tauler, and B. Walczak, Elsevier, The Netherlands, (2009).
Found on Publication Text
96
J.H. Kalivas: "Methodologies" in Comprehensive Chemometrics: Chemical and Biochemical Data Analysis, editors-in-chief S. Brown, R. Tauler, and B. Walczak, Elsevier, The Netherlands, (2009).
Found on Publication Text
95
Calibration Maintenance and Transfer Using Tikhonov Regularization Approaches. John H Kalivas Gabriel G Siano Erik Andries Hector C Goicoechea
Found on Publication Page
In 2008
94
O. Farkas, I.G. Zenkevich, F. Stout, J.H. Kalivas, K. Heberger: "Prediction of Gas Chromatographic Retention Indices for Fatty Acid Methyl Esters", Journal Chromatography A, 1198-1199, 188-195 (2008).
Found on Publication Text
93
A Service-Learning Project Based on a Research Supportive Curriculum Format in the General Chemistry Laboratory. John H. Kalivas
Found on Publication Page
92
Prediction of retention indices for identification of fatty acid methyl esters. Orsolya Farkas Igor G Zenkevich Forrest Stout John H Kalivas Kroly Hberger
Found on Publication Page
In 2007
90
J.H. Kalivas: "Progression of Chemometrics in Research Supportive Curricula" in Active Learning: Models from the Analytical Sciences, ACS Symposium Series 970, editor P.A. Mabrouk, Oxford University Press, (2007).
Found on Publication Text
89
Evaluation of Multivariate Calibration Using a Tikhonov Regularization Approach and the Generalized PairCorrelation Method with Nonlinear Data. Forrest Stout John H. Kalivas
Found on Publication Page
88
Wavelength Selection for Multivariate Calibration Using Tikhonov Regularization. Forrest Stout John H Kalivas Kroly Hberger
Found on Publication Page
In 2006
87
P.J. Gemperline, J.H. Kalivas: " Chapter 3, Sampling Theory, Distribution Functions and the Multivariate Normal Distribution" in Practical Guide to Chemometrics, Second Edition, editor P.J. Gemperline, CRC Press Taylor & Francis Group, Boca Raton, Florida (2006).
Found on Publication Text
86
J.H. Kalivas, P.J. Gemperline: " Chapter 5, Calibration" in Practical Guide to Chemometrics, Second Edition, editor P.J. Gemperline, CRC Press Taylor & Francis Group, Boca Raton, Florida (2006).
Found on Publication Text
85
Impartial graphical comparison of multivariate calibration methods and the harmony/parsimony tradeoff. Forrest Stout Maurita R. Baines John H. Kalivas
Found on Publication Page
84
Tikhonov regularization in standardized and general form for multivariate calibration with application towards removing unwanted spectral artifacts. Forrest Stout John H. Kalivas
Found on Publication Page
83
Uncertainty estimation and figures of merit for multivariate calibration (IUPAC Technical Report). Alejandro C. Olivieri Nicolaas M. Faber Joan Ferr Ricard Boqu John H. Kalivas Howard Mark
Found on Publication Page
In 2005
80
Erratum to Seipel HA, Kalivas JH. Effective rank for multivariate calibration methods.J. Chemometrics 2004; 18: 306-311. John H. Kalivas Heather A. Seipel
Found on Publication Page
In 2004
78
QSAR modeling based on the bias/variance compromise: A harmonious and parsimonious approach. John H Kalivas Joel B Forrester Heather A Seipel
Found on Publication Page
77
Erratum to Seipel HA, Kalivas JH. Effective rank for multivariate calibration methods. Heather A. Seipel John H. Kalivas
Found on Publication Page
In 2003
75
Quantifying selectivity in spectrophotometric multicomponent analysis. N.M. Faber Joan Ferr Ricard Boqu J.H. Kalivas
Found on Publication Page
74
Assessment of Pareto calibration, stability, and wavelength selection. Kelly J Anderson John H Kalivas
Found on Publication Page
73
Demonstrated Potential of Ion Mobility Spectrometry for Detection of Adulterated Perfumes and Plant Speciation. Jared M. Clark Keith A. Daum John H. Kalivas
Found on Publication Page
In 2002
72
Second-order bilinear calibration: The effects of vectorizing the data matrices of the calibration set. Nicolaas (Klaas) M. Faber Joan Ferr Ricard Boqu John H. Kalivas
Found on Publication Page
71
Graphical diagnostics for regression model determinations with consideration of the bias/variance trade-off. Robert L. Green John H. Kalivas
Found on Publication Page
In 2001
69
PCR eigenvector selection based on correlation relative standard deviations. Steven Z. Fairchild John H. Kalivas
Found on Publication Page
In 2000
67
Implementation of Traditional and Real-World Cooperative Learning Techniques in Quantitative Analysis Including Near Infrared Spectroscopy for Analysis of Live Fish. Tracy P. Houghton John H. Kalivas
Found on Publication Page
66
Capability of Urine Analysis for the Disease Blastomycosis Using Infrared Spectroscopy with Eigenvector Signal to Noise Assessment. J. M. Brenchley R. L. Green S. Z. Fairchild J. H. Kalivas G. Scalarone
Found on Publication Page
In 1999
65
J.J. Rosentreter, R. Nieves, J. Kalivas, J. Rousseau, R.C. Bartholomay, "The Use of Chemical and Physical Properties for Rapid Characterization of Strontium Distribution Coefficients at the Idaho National Engineering and Environmental Laboratory, Idaho ", U.S. Geological Survey, Water Resources Investigations Report, 99-4123 (June 1999).
Found on Publication Text
64
Fundamentals of Calibration Transfer through Procrustes Analysis. Chad E. Anderson John H. Kalivas
Found on Publication Page
63
Post-Consumer Plastic Identification Using Raman Spectroscopy. Valerie Allen John H. Kalivas Rene G. Rodriguez
Found on Publication Page
62
Interrelationships of multivariate regression methods using eigenvector basis sets. John H. Kalivas
Found on Publication Page
61
Cyclic subspace regression with analysis of wavelengthSelection criteria. Gregory A. Bakken Tracy P. Houghton John H. Kalivas
Found on Publication Page
In 1998
59
Stabilization of cyclic subspace regression. Jason M. Brenchley Patrick M. Lang Reinaldo G. Nieves John H. Kalivas
Found on Publication Page
58
Orthogonality considerations for library searching Nth-order data. Chad E Anderson Reinaldo G Nieves John H Kalivas
Found on Publication Page
57
Cyclic Subspace Regression. Patrick M. Lang Jason M. Brenchley Reinaldo G. Nieves John H. Kalivas
Found on Publication Page
In 1997
54
Response to comments on interrelationships between sensitivity and selectivity measures for spectroscopic analysis by K. Faber et al. John H. Kalivas Patrick M. Lang
Found on Publication Page
53
Evaluation of principal component selection methods to form a global prediction model by principal component regression. Yu-Long Xie John H. Kalivas
Found on Publication Page
52
Examination of criteria for local model principal component regression. Gregory A. Bakken Dixie R. Long John H. Kalivas
Found on Publication Page
49
Determination of Chromatographic Elution Profiles Using Non-normalized Singular Value Evolving Profiles. Nickey J. Messick John H. Kalivas
Found on Publication Page
48
Wavelength Selection Characterization for NIR Spectra. Jason M. Brenchley Uwe Horchner John H. Kalivas
Found on Publication Page
In 1996
46
Selectivity and Related Measures for nth-Order Data.. Nickey J. Messick John H. Kalivas Patrick M. Lang
Found on Publication Page
45
Interrelationships between sensitivity and selectivity measures for spectroscopic analysis. John H. Kalivas Patrick M. Lang
Found on Publication Page
44
Mathematical Analysis of Spectral Orthogonality. Charles Hagwood John H. Kalivas Patrick M. Lang
Found on Publication Page
43
Determination of componentwise chromatographic elution regions using singular value evolving profiles. Gregory A. Bakken Nickey J. Messick John H. Kalivas
Found on Publication Page
42
G.A. Bakken, N.J. Messick, J.H. Kalivas: "Singular Value Evolving Profiles of Spectrochromatographic Data for Detection of Impurities and Determination of Component-Wise Elution Regions" in Recent Developments in Applied Spectroscopy, Vol. 1, editor Scientific Information Guild, Research Signpost, India, 41-51 (1996).
Found on Publication Text
41
J.H. Kalivas, U. Horchner: "Improved Calibrations for NIR Spectra by Wavelength Selection" in Recent Developments in Applied Spectroscopy, Vol. 1, editor Scientific Information Guild, Research Signpost, India, 25-39 (1996).
Found on Publication Text
In 1995
40
Assessing chromatographic peak purity using condition index and singular value evolving profiles. Gregory A. Bakken John H. Kalivas
Found on Publication Page
39
Simulatedannealingbased optimization algorithms: Fundamentals and wavelength selection applications. Uwe Hrchner John H. Kalivas
Found on Publication Page
38
Further investigation on a comparative study of simulated annealing and genetic algorithm for wavelength selection. Anal. Chim. Acta. 311: 1-13. Uwe Hrchner John H. Kalivas
Found on Publication Page
In 1993
37
Condition index evolving profile library searches: gas chromatographyFourier transform infrared spectrometry application. Taura D. Jarvis John H. Kalivas
Found on Publication Page
36
Comparison of Forward Selection, Backward Elimination, and Generalized Simulated Annealing for Variable Selection. J.M. Sutter J.H. Kalivas
Found on Publication Page
34
J.H. Kalivas: "Calibration Design: Samples and Wavelengths" in Trends in Applied Spectroscopy, Vol. 1, editor J. Menon, Research Trends, India, 173-186 (1993).
Found on Publication Text
In 1992
32
Computergenerated multicomponent calibration designs for optimal analysis sample predictions. Kimberly Hitchcock John H. Kalivas Jon M. Sutter
Found on Publication Page
30
Which principal components to utilize for principal component regression. Jon M. Sutter John H. Kalivas Patrick M. Lang
Found on Publication Page
29
Fundamentals of condition index evolving profiles for qualitative analysis of unresolved chromatographic peaks. Taura D. Jarvis John H. Kalivas
Found on Publication Page
28
J.H. Kalivas: "Chapter 4, Calibration" in Practical Guide to Chemometrics, editor S.J. Haswell, Marcel Dekker, New York , (1992).
Found on Publication Text
In 1991
27
Generalized simulated annealing for calibration sample selection from an existing set and orthogonalization of undesigned experiments. John H. Kalivas
Found on Publication Page
26
Convergence of generalized simulated annealing with variable step size with application towards parameter estimations of linear and nonlinear models. Jon M. Sutter John H. Kalivas
Found on Publication Page
In 1990
25
Observations of trends for singular values and eigenvectors from library searching ultraviolet-visible spectra with spectral subtraction. L.L. Juhl J.H. Kalivas J.M. Sutter
Found on Publication Page
In 1989
22
Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry. John H. Kalivas Nancy Roberts Jon M. Sutter
Found on Publication Page
In 1988
19
Evaluation of experimental designs for multicomponent determination by spectrophotometry. L.L. Juhl J.H. Kalivas
Found on Publication Page
In 1987
18
A Simplex Optimized Inductively Coupled Plasma Spectrometer with Minimization of Interferences. John H. Kalivas
Found on Publication Page
17
Evaluation of volume and matrix effects for the generalized standard addition method. J H Kalivas
Found on Publication Page
In 1986
16
Determination of optimal parameters for multicomponent analysis using the calibration matrix condition number. J. H. Kalivas
Found on Publication Page
15
Evaluation of the calibration matrix condition number as a criterion for optimal derivative-spectrophotometric multicomponent quantitation. L. L. Juhl J. H. Kalivas
Found on Publication Page
In 1983
14
Partial least squares solutions for multicomponent analysis. Ildiko E. Frank John H. Kalivas Bruce R. Kowalski
Found on Publication Page
13
Automated multicomponent analysis with correction for interferences and matrix effects. J. H. Kalivas B. R. Kowalski
Found on Publication Page
In 1982
11
Compensation for drift and interferences in multicomponent analysis. J. H. Kalivas B. R. Kowalski
Found on Publication Page
In 1981
10
Generalized standard addition method for multicomponent instrument characterization and elimination of interferences in inductively coupled plasma spectroscopy. J. H. Kalivas B. R. Kowalski
Found on Publication Page
Unspecified
9
A Simplex Optimized Inductively Coupled Plasma Spectrometer with Minimization of Interferences. John H. Kalivas
Found on Publication Page
8
Examination of Criteria for Local Model Principal Component Regression. Gregory A. Bakken Dixie R. Long John H. Kalivas
Found on Publication Page
7
J.H. Kalivas, K. Heberger, E. Andries: "Using Sum of Ranking Differences (SRD) to Ensemble Multivariate Calibration Model Merits for Tuning Parameter Selection and Comparing Calibration Methods", Analytica Chimica Acta, in press.
Found on Publication Text
6
OnLineTalk. John H Kalivas Constantinos A Georgiou Marianna Moira Ilias Tsafaras Eleftherios A Petrakis George A Mousdis
Found on Publication Page
5
Multivariate Calibration and Maintenance Using Principle Component Selection. Trevor O'Loughlin John Kalivas Parviz Shahbazikah
Found on Publication Page
3
Fundamentals of Calibration Transfer through Procrustes Analysis. Chad E. Anderson John H. Kalivas
Found on Publication Page
2
Global optimisation by simulated annealing with wavelength selection for ultraviolet-visible spectro. J. H. Kalivas N. Roberts J. M. Sutter
Found on Publication Page
1
UNCERTAINTY ESTIMATION AND FIGURES OF MERIT FOR MULTIVARIATE CALIBRATION. ALEJANDRO C. OLIVIERI M. FABER JOAN FERR RICARD BOQU JOHN H. KALIVAS HOWARD MARK
Found on Publication Page
