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A. Process Analytical Techniques B. Process Monitoring (on-line, in-line, non-invasive) C. Multivariate Data Analysis D. Process Modelling E. Process Control

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C1 Multivariate data analysis C2 Calibration transfer/model maintenance

title year authors journal volume pages Categories Actions
A comparative investigation of the combined effects of pre processing, wavelength selection and regression methods on near-infrared calibration model performance 2017 Wan Jian, Chen Yi-Chieh, Morris A Julian, Thennadil N Suresh Appl. Spectrosc. On-Line 30/03/17 C1 Multivariate data analysis, D3 Performance monitoring DOI
A comparative investigation of the combined effects of pre-processing, wavelength selection and regression methods on near infrared calibration model performance, 2017 Wan J., Chen, Y.-C., Morris, J. A. and Thennadil, S. N Applied Spectroscopy Jul:71 (7) 1432-1446 C1 Multivariate data analysis, D3 Performance monitoring DOI
A MATLAB toolbox for data pre-processing and multivariate statistical process control 2019 Yi G, Herdsman C, Morris J Chemometrics and Intelligent Laboratory Systems 194 103863 C1 Multivariate data analysis, D3 Performance monitoring, E1 Multivariate statistical process control DOI
A Review of Data Science in Business and Industry and a Future View 2020 Vicario, G and Coleman, S Applied Stochastic Models in Business and Industry C1 Multivariate data analysis DOI
A two-step multivariate statistical learning approach for batch process soft sensing 2021 Hicks Aaron, Johnston Matthew, Mowbray Max, Barton Maxwell, Lane Amanda, Mendoza Cesar, Martin Philip, Zhang Dongda Digital Chemical Engineering 1 100003 C1 Multivariate data analysis DOI
Advanced multivariate data analysis to determine the root cause of trisulfide bond formation in a novel antibody-peptide fusion 2017 Goldrick Stephen, Holmes William, Bond Nicholas J., Lewis Gareth, Kuiper Marcel, Turner Richard, Farid Suzanne S. Biotechnology and Bioengineering 114 2222-2234 C1 Multivariate data analysis DOI
Calibration free approaches for rapid polymorph discrimination <i>via</i> low frequency (THz) Raman spectroscopy 2024 Chong Magdalene W. S., Ward Martin R., McFarlan Catriona, Parrott Andrew J., Dallin Paul, Andrews John, Oswald Iain D. H., Nordon Alison Chemical Communications C1 Multivariate data analysis, A1. Non-invasive Raman spectrometry DOI
Calibration of multiplexed fibre optic spectroscopy 2011 Chen ZP, Zhong LJ, Nordon A, Littlejohn D, Holden M, Fazenda M, Harvey L, McNeil B, Faulkner J and Morris J Analytical Chemistry 83 2655-2659 C1 Multivariate data analysis, C2 Calibration transfer/model maintenance DOI
Classifying with confidence using Bayes rule and kernel density estimation 2019 Fearn Tom, Pérez-Marín Dolores, Garrido-Varo Ana, Guerrero-Ginel José Emilio Chemometrics and Intelligent Laboratory Systems 189 81-87 C1 Multivariate data analysis DOI
Close-range hyperspectral imaging of whole plants for digital phenotyping: Recent applications and illumination correction approaches 2020 Mishra Puneet, Lohumi Santosh, Ahmad Khan Haris, Nordon Alison Computers and Electronics in Agriculture 178 105780 C1 Multivariate data analysis, A1. Non-invasive Raman spectrometry DOI
CLUSTERnGO: a user-defined modelling platform for two-stage clustering of time-series data 2016 Fidaner Isik Baris, Cankorur-Cetinkaya Ayca, Dikicioglu Duygu, Kirdar Betul, Cemgil Ali Taylan, Oliver Stephen G. Bioinformatics 32 388-397 C1 Multivariate data analysis, B3 Biological process analysis DOI
Comparison of partial least squares regression, least squares support vector machines and Gaussian process regression for a near infrared calibration 2017 Cui C and Fearn T Journal of Near Infrared Spectroscopy 25(1) 5 - 14 C1 Multivariate data analysis DOI
Converting Big Data to Big Analysis and Control – The secret is to Pre-Screen 2020 Lynch T and Morris J Petro Industry News August/September Pg 32 E1 Multivariate statistical process control, C1 Multivariate data analysis Download
Correction of Temperature-Induced Spectral Variations by Loading Space Standardization 2005 Chen Zeng-Ping, Morris Julian, Martin Elaine Analytical Chemistry 77 1376-1384 C1 Multivariate data analysis DOI
CPACT CELEBRATES 20 YEARS AND LOOKS TO THE FUTURE 2018 Lynch T Petro Industry News - Annual Buyers Guide 44-45 C1 Multivariate data analysis, E1 Multivariate statistical process control
Data Science in Industry 4.0 2019 Coleman S.Y Mathematics in Industry C1 Multivariate data analysis DOI
Determination of ingredients in packaged pharmaceutical tablets by energy dispersive X-ray diffraction and maximum likelihood principal component analysis multivariate curve resolution-alternating least squares with correlation constraint 2021 Kenny Peter S., Crews Chiaki, Fearn Tom, Speller Robert D. Journal of Chemometrics C1 Multivariate data analysis DOI
Determination of optimum number of components in partial least squares regression from distributions of the root-mean-squared error obtained by Monte Carlo resampling 2018 Kvalheim O M; Arneberg R; Grung B; Rajalahti T Chemometrics 32 e2993 C1 Multivariate data analysis DOI
Development of a spatially offset Raman spectroscopy probe for monitoring pharmaceutical drying 2023 Al-Attili Mais, Ferreira Carla, Price Chris, Faulds Karen, Chen Yi-Chieh Chemical Engineering Research and Design 192 510-520 B2 Monitoring of drying and powder blending, A1. Non-invasive Raman spectrometry, C1 Multivariate data analysis DOI
Discussion of “Experiences with big data: Accounts from a data scientist’s perspective” 2020 Coleman Shirley Quality Engineering 32 558-559 C1 Multivariate data analysis DOI
Dynamic Proteomic Profiling of Extra-Embryonic Endoderm Differentiation in Mouse Embryonic Stem Cells 2015 Mulvey Claire M., Schröter Christian, Gatto Laurent, Dikicioglu Duygu, Fidaner Isik Baris, Christoforou Andy, Deery Michael J., Cho Lily T. Y., Niakan Kathy K., Martinez-Arias Alfonso, Lilley Kathryn S. STEM CELLS 33 2712-2725 C1 Multivariate data analysis, B3 Biological process analysis DOI
Early Detection Of Drought Stress in Arabidopsis Thaliana Utilsing a Portable Hyperspectral Imaging Setup 2019 Mishra Puneet, Feller Torsten, Schmuck Martin, Nicol Andreas, Nordon Alison 2019 10th Workshop on Hyperspectral Imaging and Signal Processing: Evolution in Remote Sensing (WHISPERS) C1 Multivariate data analysis DOI
Effect of particle size distribution on spatially and angularly resolved diffuse reflectance measurement 2018 Chen Yi-Chieh, Tiernan-Vandermotten Sarra, Lue Leo, Ferreira Carla Sofia, Sefcik Jan, Thannadil Suresh European Pharamaceutical Review 23 34-37 A2 Particle size effects in Raman and NIR, C1 Multivariate data analysis, D2 Multi-block, predictive and multi-scale modelling methods DOI
Effect of Process Conditions on Particle Size and Shape in Continuous Antisolvent Crystallisation of Lovastatin 2020 McGinty John, Chong Magdalene W. S., Manson Andrew, Brown Cameron J., Nordon Alison, Sefcik Jan Crystals 10 925 A1. Non-invasive Raman spectrometry, C1 Multivariate data analysis DOI
Enhancing the Signal-to-Noise Ratio of X-ray Diffraction Profiles by Smoothed Principal Component Analysis 2005 Chen Z-P, Morris J and Martin E Anal. Chem. 77 6563-6570 C1 Multivariate data analysis Download DOI
Extracellular acidity and oxygen availability conjointly control eukaryotic cell growth via modulation of cytoplasmic translation. 2019 Dikicioglu, D Turkish Journal of Biochemistry B3 Biological process analysis, C1 Multivariate data analysis DOI
Extracting Chemical Information from Spectral Data with Multiplicative Light Scattering Effects by Optical Path-Length Estimation and Correction 2006 Chen Zeng-Ping, Morris Julian, Martin Elaine Analytical Chemistry 78 7674-7681 C1 Multivariate data analysis DOI
Gaussian process regression for multivariate spectroscopic calibration 2007 Chen T, Morris J and Martin E Chemometrics and Intelligent Laboratory Systems 87 59-71 C1 Multivariate data analysis, C2 Calibration transfer/model maintenance
Hierarchical mixture of linear regressions for multivariate spectroscopic calibration 2018 Cui C, Fearn T Chemometrics and Intelligent Laboratory Systems 174 1-14 C1 Multivariate data analysis DOI
Homogenising and Segmenting Hyperspectral Images of Plants and Testing Chemicals in a High-Throughput Plant Phenotyping Setup 2019 Mishra Puneet, Schmuck Martin, Roth Sina, Nicol Andreas, Nordon Alison 2019 10th Workshop on Hyperspectral Imaging and Signal Processing: Evolution in Remote Sensing (WHISPERS) C1 Multivariate data analysis DOI
How yeast re-programmes its transcriptional profile in response to different nutrient impulses 2011 Dikicioglu Duygu, Karabekmez Erkan, Rash Bharat, Pir Pinar, Kirdar Betul, Oliver Stephen G BMC Systems Biology 5 148 C1 Multivariate data analysis, B3 Biological process analysis DOI
Image analysis framework with focus evaluation for in situ characterisation of particle size and shape attributes 2018 Cardona Javier, Ferreira Carla, McGinty John, Hamilton, Andrew, Agimelen Okpeafoh S, Cleary Alison, Atkinson Robert, Michie Craig, Marshall Stephen, Chen Yi-Chieh, Sefcik Jan, Andonovic Ivan, Tachtatzis Christos Chemical Engineering Science Vol 191 208-231 A. Process Analytical Techniques, C1 Multivariate data analysis DOI
Improved prediction of tablet properties with near-infrared spectroscopy by a fusion of scatter correction techniques 2021 Mishra Puneet, Nordon Alison, Roger Jean-Michel Journal of Pharmaceutical and Biomedical Analysis 192 113684 C1 Multivariate data analysis DOI
Improving the linearity of spectroscopic data subjected to fluctuations in external variables by the extended loading space standardization 2008 Chen Zeng-Ping, Morris Julian The Analyst 133 914 C1 Multivariate data analysis DOI
Insight from data analytics with an automotive aftermarket SME 2019 Smith W, Coleman S, Bacardit J, Coxon S Quality and Reliability Engineering International C1 Multivariate data analysis DOI
Integrating Autoencoder and Heteroscedastic Noise Neural Networks for the Batch Process Soft-Sensor Design 2022 Kay Sam, Kay Harry, Mowbray Max, Lane Amanda, Mendoza Cesar, Martin Philip, Zhang Dongda Industrial & Engineering Chemistry Research 61 13559-13569 C1 Multivariate data analysis DOI
Integration of Metabolic Modeling and Phenotypic Data in Evaluation and Improvement of Ethanol Production Using Respiration-Deficient Mutants of Saccharomyces cerevisiae 2008 Dikicioglu Duygu, Pir Pinar, Onsan Z. Ilsen, Ulgen Kutlu O., Kirdar Betul, Oliver Stephen G. Applied and Environmental Microbiology 74 5809-5816 C1 Multivariate data analysis, B3 Biological process analysis DOI
Making way for ultra-low-emission vehicles 2018 Herron, C and Coleman, S Focus June 2018 pp 48-49 C1 Multivariate data analysis
MBA-GUI: A chemometric graphical user interface for multi-block data visualisation, regression, classification, variable selection and automated pre-processing 2020 Mishra Puneet, Roger Jean Michel, Rutledge Douglas N., Biancolillo Alessandra, Marini Federico, Nordon Alison, Jouan-Rimbaud-Bouveresse Delphine Chemometrics and Intelligent Laboratory Systems 205 104139 D2 Multi-block, predictive and multi-scale modelling methods, C1 Multivariate data analysis DOI
MBA-GUI: A chemometric graphical user interface for multi-block data visualisation, regression, classification, variable selection and automated pre-processing 2020 Mishra Puneet, Roger Jean Michel, Rutledge Douglas N., Biancolillo Alessandra, Marini Federico, Nordon Alison, Jouan-Rimbaud-Bouveresse Delphine Chemometrics and Intelligent Laboratory Systems 205 104139 C1 Multivariate data analysis DOI
Measuring proteins in H2O using 2D-IR spectroscopy: pre-processing steps and applications toward a protein library 2022 Rutherford Samantha H., Greetham Gregory M., Parker Anthony W., Nordon Alison, Baker Matthew J., Hunt Neil T. The Journal of Chemical Physics 157 C1 Multivariate data analysis DOI
Metabolic response to Parkinson's disease recapitulated by the haploinsufficient diploid yeast cells hemizygous for the adrenodoxin reductase gene 2019 Dikicioglu Duygu, Coxon James W. M. T., Oliver Stephen G. Molecular Omics 15 340-347 B3 Biological process analysis, C1 Multivariate data analysis DOI
Modern practical convolutional neural networks for multivariate regression: Applications to NIR calibration 2018 Cui C, Fearn T Chemometrics and Intelligent Laboratory Systems 182 9-20 C1 Multivariate data analysis DOI
Number of components and prediction error in partial least squares regression determined by Monte Carlo resampling strategies 2019 Kvalheim O M; Grung B; Rajalahti T Chemometrics and Intelligent Laboratory Systems 188 79-86 C1 Multivariate data analysis DOI
Process analytical technology and compensating for nonlinear effects in process spectroscopic data for improved process monitoring and control 2009 Chen Z and Morris J Biotechnology J. 4(5) 610-619 C1 Multivariate data analysis, E2 Process control DOI
Quantitative analysis of powder mixtures by Raman spectrometry: the influence of particle size and its correction 2012 Chen Z, Li L, Jin J, Nordon A, Littlejohn D, Yang J, Zhang J and Yu R Analytical Chemistry 84 4088-4094 A2 Particle size effects in Raman and NIR, C1 Multivariate data analysis DOI
Recent trends in multi-block data analysis in chemometrics for multi-source data integration 2021 Mishra Puneet, Roger Jean-Michel, Jouan-Rimbaud-Bouveresse Delphine, Biancolillo Alessandra, Marini Federico, Nordon Alison, Rutledge Douglas N. TrAC Trends in Analytical Chemistry 137 116206 D2 Multi-block, predictive and multi-scale modelling methods, C1 Multivariate data analysis DOI
Saccharomyces cerevisiae adapted to grow in the presence of low-dose rapamycin exhibit altered amino acid metabolism 2018 Dikicioglu Duygu, Dereli Eke Elif, Eraslan Serpil, Oliver Stephen G., Kirdar Betul Cell Communication and Signaling 16 C1 Multivariate data analysis, B3 Biological process analysis DOI
Shift-invariant tri-linearity—A new model for resolving untargeted gas chromatography coupled mass spectrometry data 2023 Schneide Paul-Albert, Bro Rasmus, Gallagher Neal B. Journal of Chemometrics 37 C1 Multivariate data analysis, A8. Process mass spectrometry DOI
Ship fuel consumption monitoring and fault detection via partial least squares and control charts of navigation data 2019 Capezza C, Coleman, SY, Lepore A, Palumbo B, Vitiello L Transportation Research Part D: Transport and Environment C1 Multivariate data analysis DOI
Short- and long-term dynamic responses of the metabolic network and gene expression in yeast to a transient change in the nutrient environment 2012 Dikicioglu Duygu, Dunn Warwick B., Kell Douglas B., Kirdar Betul, Oliver Stephen G. Molecular BioSystems 8 1760 C1 Multivariate data analysis, B3 Biological process analysis DOI
Spatially and angularly resolved spectroscopy for in-situ estimation of concentration and particle size in colloidal suspensions 2017 Chen Yi-Chieh, Foo David, Dehanov Nicolau, Thennadil Suresh N Analytical and Bioanalytical Chemistry 409 6975-6988 A1. Non-invasive Raman spectrometry, C1 Multivariate data analysis, D2 Multi-block, predictive and multi-scale modelling methods DOI
Temperature Correction of Spectra to Improve Solute Concentration Monitoring by In Situ Ultraviolet and Mid-Infrared Spectrometries toward Isothermal Local Model Performance 2022 Chong Magdalene W. S., McGlone Thomas, Chai Ching Yee, Briggs Naomi E. B., Brown Cameron J., Perciballi Francesca, Dunn Jaclyn, Parrott Andrew J., Dallin Paul, Andrews John, Nordon Alison, Florence Alastair J. Organic Process Research & Development C1 Multivariate data analysis, A5. ATR-MIR spectrometry DOI
Variable importance: Comparison of selectivity ratio and significance multivariate correlation for interpretation of latent-variable regression models 2020 Kvalheim Olav M. Journal of Chemometrics 34 C1 Multivariate data analysis DOI
Yeast cells with impaired drug resistance accumulate glycerol and glucose 2014 Dikicioglu, D., Oc, S., Rash, B. M., Dunn, W. B., Pir, P., Kell, D. B., . . . Oliver, S. G Molecular Biosytems 10 (1) 93-102 C1 Multivariate data analysis, B3 Biological process analysis DOI