612
Views
62
CrossRef citations to date
0
Altmetric
Original Articles

Process Analytical Technology Beyond Real-Time Analyzers: The Role of Multivariate Analysis

Pages 257-278 | Published online: 12 Jan 2007

REFERENCES

  • Callis , J. B. , Illman , D. L. and Kowalski , B. R. 1987 . Process analytical chemistry . Analytical Chemistry , 59 : 624A – 635A . [CSA]
  • Workman , J. Jr. , Koch , M. and Veltkamp , D. 2005 . Process analytical chemistry . Analytical Chemistry , 77 : 3789 – 3806 . [INFOTRIEVE] [CROSSREF] [CSA]
  • Guidance for Industry, PAT A Framework for Innovative Pharmaceutical Development, Manufacturing, and Quality Assurance . September 2004 . Department U.S. of Health and Human Services, Food and Drug Administration, Center for Drug Evaluation and Research (CDER), Center for Veterinary, Medicine (CVM), Office of Regulatory Affairs (ORA) , September , Pharmaceutical CGMPs . http://www.fda.gov/cder/guidance/6419fnl.htm
  • Pharmaceutical CGMPs for the 21st Century-A Risk-Based Approach, Final Report, September 29, 2004. http://www.fda.gov/cder
  • Kourti , T. 2004 . Process Analytical technology and multivariate statistical process control. Wellness index of process and product—Part 1 . The Journal of Process Analytical Technology , 1 ( 1 ) : 13 – 19 . [CSA]
  • Workman , J. Jr. , Koch , M. and Veltkamp , D. J. 2003 . Process analytical chemistry . Analytical Chemistry , 75 ( 12 ) : 2859 [CROSSREF] [CSA]
  • Workman , J. Jr. , Creasy , K. E. , Doherty , S. , Leonard , B. , Koch , M. , Ullman , A. H. and Veltkamp , D. J. 2001 . Process analytical chemistry . Analytical Chemistry , 73 ( 12 ) : 2705 [INFOTRIEVE] [CROSSREF] [CSA]
  • Workman , J. Jr. , Veltkamp , D. J. , Dohe , S. , Anderson , B. B. , Creasy , K. E. , Koch , M. , Tatera , J. F. , Robinson , A. L. , Bond , L. , Burgess , L. W. , Bokerman , G. N. , Ullman , A. H. , Darsey , G. P. , Mozayeni , F. , Bamberger , J. A. and Greenwood , M. S. 1999 . Process analytical chemistry . Analytial Chemistry , 71 ( 12 ) : 121R [CROSSREF] [CSA]
  • Blaser , W. W. , Bedeweg , R. A. , Harner , R. S. , LaPack , M. A. , Leugers , A. , Martin , D. P. , Pell , R. J. , Workman , J. Jr. and Wright , L. G. 1995 . Analytical Chemistry , 67 : 47R [CROSSREF] [CSA]
  • Beebe , K. R. , Blaser , W. W. , Bredeweg , R. A. , Chauvel , J. P. Jr. , Harner , R. S. , LaPack , M. , Leugers , A. , Martin , D. P. , Wright , L. G. and Yalvac , E. D. 1993 . Process analytical chemistry . Analytical Chemistry , 65 : 199R [CROSSREF] [CSA]
  • Lavine , B. and Workman , J. J. Jr. 2004 . Chemometrics . Analytical Chemistry , 76 : 3365 – 3372 . [INFOTRIEVE] [CROSSREF] [CSA]
  • Lavine , B. K. and Workman , J. Jr. 2002 . Chemometrics . Analytical Chemistry , 74 : 2763 – 2770 . [INFOTRIEVE] [CROSSREF] [CSA]
  • Lavine , B. K. 2000 . Chemometrics . Analytical Chemistry , 72 : 91R – 97R . [INFOTRIEVE] [CROSSREF] [CSA]
  • Miller , C. E. 2000 . Chemometrics for on-line spectroscopy applications—Theory and practice . J. Chemometrics , 14 : 513 – 528 . [CROSSREF] [CSA]
  • Brereton , R. G. 2000 . Introduction to multivariate calibration in analytical chemistry . Analyst , 125 : 2125 – 2154 . [CROSSREF] [CSA]
  • Bakeev , K. 2005 . Process Analytical Technology Spectroscopic Tools and Implementation Strategies for the Chemical and Pharmaceutical Industries , Blackwell Pub Professional .
  • Siesler , H. W. , Ozaki , Y. , Kawata , S. and Heise , H. M. 2002 . Near Infared Spectroscopy Principles, Instruments, Applications , Gmbh : Wiley VCH Verlag .
  • Feudale , R. , Woody , N. , Tan , H. , Myles , A. , Brown , S. and Ferre , J. 2002 . Transfer of multivariate calibration models; A review . Chemometrics and Intelligent Lab Systems , 64 : 181 – 192 . [CROSSREF] [CSA]
  • Kourti , T. and MacGregor , J. F. 1995 . Process analysis, monitoring and diagnosis using multivariate projection methods—A tutorial . Chemometrics and Intelligent Laboratory Systems , 28 : 3 – 21 . [CROSSREF] [CSA]
  • Kourti , T. 1999 . “ Optimization and control ” . In Design and Analysis in Chemical Research , Edited by: Tranter , Roy . 314 – 364 . Boca Raton, FL : Sheffield Analytical Chemistry, CRC Press . Ch. 9
  • Muirhead , G. T. 2005 . Process Analytical Technology at GlaxoSmithKline . Presented at the 19th IFPAC, International Forum Process Analytical Technology . Jan 10–13 2005 , Arlington, VA. (© Gordon T. Muirhead, GlaxoSmithKline, Reproduced with permission)
  • Graffner , C. 2005 . PAT—European Regulatory Perspective . The Journal of Process Analytical Technology , 2 ( 6 ) : 8 – 11 . [CSA]
  • Dushesne , C. , Kourti , T. and MacGregor , F. 2002 . Application of multivariate methods to start-Up, re-start and grade transition problems . AICHE J. , 48 : 2890 – 2901 . [CROSSREF] [CSA]
  • Kresta , J. V. , Marlin , T. E. and MacGregor , J. F. 1994 . Development of inferential process models using PLS . Computers Chem. Engng. , 18 : 597 – 611 . [CROSSREF] [CSA]
  • Burnham , A. J. , Viveros , R. and MacGregor , J. F. 1996 . Frameworks for latent variable multivariate regression . J. Chemometrics , 10 : 31 – 45 . [CROSSREF] [CSA]
  • Jolliffe , I. T. 1982 . A Note on the Use of Principal Components in Regression . Applied Statistics , 31 ( 3 ) : 300 – 303 . [CROSSREF] [CSA]
  • Sutter , J. M. , Kalivas , J. H. and Lang , P. M. 1992 . Which principal components to utilize for principal component regression . Journal of Chemometrics , 6 : 217 – 225 . [CROSSREF] [CSA]
  • Nelson , P. R. C. , Taylor , P. A. and MacGregor , J. F. 1996 . Missing data methods in PCA and PLS: Score calculations with incomplete observations . Chemometrics and Intelligent Laboratory Systems , 35 : 45 – 65 . [CROSSREF] [CSA]
  • Arteaga , F. and Ferrer , A. 2002 . Dealing with missing data in MSPC: Several methods, different interpretations, some examples . Journal of Chemometrics , 16 : 408 – 418 . [CROSSREF] [CSA]
  • Nelson , P. R. C. , MacGregor , J. F. and Taylor , P. A. 2006 . The impact of missing measurements on PCA and PLS prediction and monitoring applications . Chemometrics and Intelligent Laboratory Systems , 80 : 1 – 12 . [CROSSREF] [CSA]
  • Kourti , T. 2002 . Process analysis and abnormal situation detection: From theory to practice . IEEE control systems , 22 ( 5 ) : 10 – 25 . [CROSSREF] [CSA]
  • Kourti , T. 2005 . Application of latent variable methods to process control and multivariate statistical process control in industry . International Journal of Adaptive Control and Signal Processing , 19 : 213 – 246 . [CROSSREF] [CSA]
  • Miletic , I. , Quinn , S. , Dudzic , M. , Vaculik , V. and Champagne , M. 2004 . An industrial perspective on implementing on-line applications of multivariate statistics . Journal Process Control , 14 : 821 – 836 . [CROSSREF] [CSA]
  • Kourti , T. 2005 . Symposium report on abnormal situation detection and projection methods . Chemometrics and Intelligent Laboratory Systems , 76 : 215 – 220 . [CROSSREF] [CSA]
  • MacGregor , J. F. , Kourti , T. and Kresta , J. V. Multivariate identification: A study of several methods . International Symposium on Advanced Control of Chemical Processes ADCHEM 1991, (an IFAC Symposium) . October 14–16 , Toulouse, France. Edited by: Najim , K. and Babary , J. P. pp. 369 – 375 . Proceedings
  • Nomikos , P. and MacGregor , J. F. 1995 . Multivariate SPC charts for monitoring batch processes . Technometrics , 37 ( 1 ) : 41 – 59 . [CROSSREF] [CSA]
  • Nomikos , P. and MacGregor , J. F. 1994 . Monitoring of batch processes using multi-way principal component analysis . AIChE Journal , 40 ( 8 ) : 1361 – 1375 . [CROSSREF] [CSA]
  • Nomikos , P. and MacGregor , J. F. 1995 . Multiway partial least squares in monitoring batch processes . Chemometrics and Intelligent Laboratory Systems , 30 : 97 – 108 . [CROSSREF] [CSA]
  • Kourti , T. 2003 . Multivariate dynamic data modelling for analysis and statistical process control of batch processes, start–ups and grade transitions . Journal of Chemometrics , 17 : 93 – 109 . [CROSSREF] [CSA]
  • Kourti , T. 2003 . Abnormal situation detection, three way data and projection methods—robust data archiving and modeling for industrial applications . Annual Reviews in Control , 27 ( 2 ) : 131 – 138 . [CROSSREF] [CSA]
  • Kourti , T. , Lee , J. and MacGregor , J. F. 1996 . Experiences with industrial applications of projection methods for multivariate statistical process control . Computers and Chemical Engineering , 20 ( Suppl. ) : S745 – S750 . [CROSSREF] [CSA]
  • Neogi , D. and Schlags , C. E. 1998 . Multivariate statistical analysis of an emulsion batch process . Industrial Engineering Chemistry Research , 37 : 3971 – 3979 . [CROSSREF] [CSA]
  • Kassidas , A. , MacGregor , J. F. and Taylor , P. A. 1998 . Synchronization of batch trajectories using dynamic time warping . AIChE J. , 44 : 864 – 875 . [CROSSREF] [CSA]
  • Taylor , P. A. May 1998 . May , Hamilton, Ontario, , Canada : Computing and Software Dept., McMaster University . personal communication
  • Westerhuis , J. A. , Kassidas , A. , Kourti , T. , Taylor , P. A. and MacGregor , J. F. 1999 . On-line synchronization of the trajectories of process variables for monitoring batch processes with varying duration . Presented at the 6th Scandinavian Symposium on Chemometrics . Aug. 15–19 1999 , Porsgrunn, Norway.
  • García-Muñoz , S. , Kourti , T. , MacGregor , J. F. , Mateos , A. G. and Murphy , G. 2003 . Troubleshooting of an Industrial Batch Process Using Multivariate Methods . Industrial Engineering Chemistry Research , 42 : 3592 – 3601 . [CROSSREF] [CSA]
  • García-Muñoz , S. 2004 . Batch Process improvement using latent variable methods , Ph.D. Thesis Hamilton, Ontario, , Canada : McMaster university .
  • García-Muñoz , S. , Kourti , T. and MacGregor , J. F. 2005 . Ninth Scandinavian Chemometrics Conference, SSC9 . August 21–25 2005 , Reykjavic, Iceland.
  • Garcia-Munoz , Salvador , Neogi , Debashis , Mehta , Sanjay , MacGregor , John and Kourti , Theodora . 2005 . Optimization of Batch Processes using Data Driven Latent Variable Models . Annual Meeting of the American Institute of Chemical Engineers . October 30–November 4 2005 , Cincinnati, Ohio.
  • Tomasi , G. , van den Berg , F. and Andersson , C. 2004 . Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data . Journal of Chemometrics , 18 : 231 – 241 . [CROSSREF] [CSA]
  • Kourti , T. , Nomikos , P. and MacGregor , J. F. 1995 . Analysis, monitoring and fault diagnosis of batch processes using multiblock and multiway PLS . Journal of Process Control , 5 ( 4 ) : 277 – 284 . [CROSSREF] [CSA]
  • Duchesne , C. and MacGregor , J. F. 2000 . Multivariate analysis and optimization of process variable trajectories for batch processes . Chemometrics and Intelligent Laboratory Systems , 51 : 125 – 137 . [CROSSREF] [CSA]
  • MacGregor , J. F. , Kourti , T. and Nomikos , P. Analysis, Monitoring and Fault Diagnosis of Industrial Processes using Multivariate Statistical Projection Methods . Preprints, 13 World Congress of International Federation of Automatic Control . June30—July 5 , San Fransisco-USA. Edited by: Kummel , M. , McAvoy , T. and Niemi , A. Volume M , pp. 145 – 150 .
  • Nomikos , P. 1996 . Detection and diagnosis of abnormal batch operations based on multiway principal component analysis . ISA Transactions , 35 : 259 – 267 . [CROSSREF] [CSA]
  • Lennox , B. , Montague , G. A. , Hiden , H. G. , Kornfeld , G. and Goulding , P. R. 2001 . Process Monitoring of an Industrial Fed-Batch Fermentation . Biotechnology and Bioengineering , 74 ( 2 ) : 125 – 135 . [INFOTRIEVE] [CROSSREF] [CSA]
  • Albert , S. and Kinley , R. D. 2001 . Multivariate statistical monitoring of batch processes: An industrial case study of fermentation supervision . Trends in Biotechnology , 19 : 53 – 62 . [INFOTRIEVE] [CROSSREF] [CSA]
  • Zhang , Y. , Dudzic , M. and Vaculik , V. 2003 . Integrated monitoring solution to start-up and run-time operations for continuous casting . Annual Reviews in Control , 27 : 141 – 149 . [CROSSREF] [CSA]
  • Westerhuis , J. A. , Kourti , T. and MacGregor , J. F. 1998 . Analysis of multiblock and hierarchical PCA and PLS models . Journal of Chemometrics , 12 : 301 – 321 . [CROSSREF] [CSA]
  • Taube , D. J. 2003 . Process analytical technology in API: Issues, opportunities and challenges, IFPAC Conference . January 2003 , Scottsdale Arizona.
  • Westerhuis , J. A. and Coenegracht , P. M. J. 1997 . Multivariate modelling of the pharmaceutical two-step process of wet granulation and tableting with multiblock partial least squares . Journal of Chemometrics , 11 : 379 – 392 . [CROSSREF] [CSA]
  • Frank , I. E. , Feikema , J. , Constantine , N. and Kowalski , B. R. 1984 . Prediction of product quality from spectral data using the partial least-squares method . Journal of Chemical Information and Computing Science , 24 : 20 – 24 . [CROSSREF] [CSA]
  • Flores-Cerrillo , J. and MacGregor , J. F. 2004 . Multivariate monitoring of batch processes using batch-to-batch information . AIChE Journal , 50 ( 6 ) : 1219 – 1228 . [CROSSREF] [CSA]
  • Dushesne , C. and MacGregor , J. F. 2004 . Establishing multivariate specification regions for incoming materials . Journal of Quality Technology , 36 : 78 – 94 . [CSA]
  • Ohmori , S. , Ohno , Y. , Makino , T. and Kashihara , T. 2005 . Application of an electronic nose system for evaluation of unpleasant odor in coated tablets . European Journal of Pharmaceutics and Biopharmaceutics , 59 ( 2 ) : 289 – 297 . [INFOTRIEVE] [CROSSREF] [CSA]
  • Esbensen , K. H. , Halstensen , M. , Tonnesen , L. T. , Saudland , A. , Svalestuen , J. , de Silva , S. and Hope , B. 1998 . Acoustic chemometrics—From noise to information . Chemometrics and Intelligent Laboratory Systems , 44 ( 1 ) : 61 – 76 . [CSA]
  • Tan , C. C. , Thornhill , N. F. and Belchamber , R. M. 2002 . Principal component analysis of spectra with application to acoustic emissions from mechanical equipment . Transaction of Institute Measurement and Control , 24 ( 4 ) : 333 – 353 . [CSA]
  • Halstensen , M. and Esbensen , K. 2000 . New developments in acoustic chemometric prediction of particle size distribution—The problem is the solution . Journal of Chemometrics , 14 : 463 – 481 . [CROSSREF] [CSA]
  • Bruwer , M.-J. , MacGregor , J. F. , Bourg , W. and Malvaiz , C. S. 2004 . Multivariate Acoustic Imaging for Product Property Prediction . Presented at AIChE Annual Meeting . November 7–12 2004 , Austin, Texas.
  • Bharati , M. and MacGregor , J. F. 2003 . Softwood lumber grading through on line multivariate image analysis . Industrial and Engineering Chemistry Research , 42 : 5345 – 5353 . [CROSSREF] [CSA]
  • Liu , J. J. , Bharati , M. H. , Dunn , K. G. and MacGregor , J. F. 2005 . Automatic masking in multivariate image analysis using support vector machines . Chemometrics and Intelligent Laboratory Systems , 79 ( 1–2 ) : 42 – 54 . [CROSSREF] [CSA]
  • Liu , J. J. and MacGregor , J. F. 2006 . Estimation and monitoring of product aesthetics: application to manufacturing of “engineered stone” countertops . Machine Vision and Applications , 16 ( 6 ) : 374 – 383 . [CROSSREF] [CSA]
  • Vlasov , Y. , Legin , A. and Rudnitskaya , A. 2002 . Electronic tongues and their analytical application . Analytical Bioanalytical Chemistry , 373 ( 3 ) : 136 – 46 . [CROSSREF] [CSA]
  • Esbensen , K. , Kirsanov , D. , Legin , A. , Rudnitskaya , A. , Mortensen , J. , Pedersen , J. , Vognsen , L. , Makarychev-Mikhailov , S. and Vlasov , Y. 2004 . Fermentation monitoring using multisensor systems: feasibility study of the electronic tongue . Analytical Bioanalytical Chemistry , 378 : 391 – 395 . [CROSSREF] [CSA]
  • Yu , H. , MacGregor , J. F. , Haarsma , G. and Bourg , W. 2003 . Digital Imaging for On-line Monitoring and Control of Industrial Snack Food Processes . Industrial and Engineering Chemistry Research , 42 : 3036 – 3044 . [CROSSREF] [CSA]
  • Yu , H. and MacGregor , J. F. 2003 . Multivariate image analysis and regression for prediction of coating content and distribution in the production of snack foods . Chemometrics and Intelligent Laboratory Systems , 67 : 125 – 144 . [CROSSREF] [CSA]
  • Westerhuis , J. A. , Coenegracht , P. M. J. and Coenraad , F. L. 1997 . Multivariate modelling of the tablet manufacturing process with wet granulation for tablet optimization and in-process control . International Journal of Pharmaceutical , 156 : 109 – 117 . [CROSSREF] [CSA]
  • Osborne , B. G. 2000 . “ Near-infrared spectroscopy in food analysis ” . In Encyclopedia of Analytical Chemistry , Edited by: Meyers , R. A. Chichester : John Wiley & Sons Ltd .
  • Findlay , P. , Morris , K. and Kildsig , D. PAT in fluid bed granulation . Presented at AICHE . San Francisco, CA.
  • Shi , D. , Mhaskar , P. , El-Farra , N. H. and Christofides , P. D. 2005 . Predictive control of crystal size distribution in protein crystallization . Nanotechnology , 16 : S562 – S574 . [CROSSREF] [CSA]
  • Marjanovic , O. , Lennox , B. , Sandoz , D. , Smith , K. and Crofts , M. 2006 . Real-time monitoring of an industrial batch process . Presented at CPC7: Chemical Process Control . Jan 8–13 2006 , Lake Louise Alberta, Canada.
  • Zhang , H. and Lennox , B. 2004 . Integrated condition monitoring and control of fed-batch fermentation processes . Journal of Process Control , 14 : 41 – 50 . [CROSSREF] [CSA]
  • Flores-Cerrillo , J. and MacGregor , J. F. 2004 . Control of batch product quality by trajectory manipulation using latent variable models . Journal of Process Control , 14 : 539 – 553 . [CROSSREF] [CSA]
  • Moteki , Y. and Arai , Y. 1986 . Operation planning and quality design of a polymer process , 159 – 165 . Bournemouth, UK : Pergamon Press . ZFAC DYCORD
  • Jaeckle , C. M. and MacGregor , J. F. 1998 . Product design through multivariate statistical analysis of process data . AICHE Journal , 44 ( 5 ) : 1105 – 1118 . [CROSSREF] [CSA]
  • Lakshminarayanan , S. , Fujii , H. , Grosman , B. , Dassau , E. and Lewin , D. R. 2000 . New product design via analysis of historical databases . Computers and Chemical Engineering , 24 : 671 – 676 . [CROSSREF] [CSA]
  • García-Muñoz , S. , Kourti , T. , MacGregor , J. F. , Apruzzece , F. and Champagne , M. 2006 . Optimization of batch operating policies, Part I—handling multiple solutions , Industrial and Engineering Chemistry Research . ASAP Web Release Date: 10-Oct-2006; (Article) DOI: 10.1021/ie060314g
  • Muteki , K. , MacGregor , J. F. and Ueda , T. 2006 . The rapid development of new polymer blends: The optimal selection of materials and blend ratios . Industrial Engineering Chemical Research , in press[CSA]
  • Muteki , K. , MacGregor , J. F. and Ueda , T. 2006 . Mixture designs and models for the simultaneous selection of ingredients and their ratios . Chemometrics and Intelligent Laboratory Systems , submitted[CSA]
  • García-Muñoz , S. , MacGregor , J. F. and Kourti , T. 2005 . Product Transfer between Sites using Joint Y_PLS . Chemometrics and Intelligent Laboratory Systems , 79 : 101 – 114 . [CROSSREF] [CSA]
  • Lange , A. J. 2005 . Guarding against PAT hype . The Journal of Process Analytical Technology , 2 ( 3 ) : 18 – 20 . [CSA]
  • Kourti , T. 2005 . Process analytical technology and multivariate statistical process control. Index of wellness of product and process—Part 2 . The Journal of Process Analytical Technology , 2 ( 1 ) : 24 – 28 . [CSA]
  • Park , S. and Han , C. 2000 . A nonlinear soft sensor based on multivariate smoothing procedure for quality estimation in distillation columns . Computers and Chemical Engineering , 24 ( 2 ) : 871 – 877 . [CROSSREF] [CSA]
  • García-Muñoz , S. , MacGregor , J. F. and Kourti , T. 2004 . Model predictive monitoring for batch processes with multivariate methods . Industrial and Engineering Chemistry Research , 43 : 5929 – 5941 . [CROSSREF] [CSA]

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.