Research Article
Multiway calibration. Multilinear PLS
First published: January/February 1996
Citations: 457
Abstract
A new multiway regression method called N‐way partial least squares (N‐PLS) is presented. The emphasis is on the three‐way PLS version (tri‐PLS), but it is shown how to extend the algorithm to higher orders. The developed algorithm is superior to unfolding methods, primarily owing to a stabilization of the decomposition. This stabilization potentially gives increased interpretability and better predictions. The algorithm is fast compared with e.g. PARAFAC, because it consists of solving eigenvalue problems.
An example of the developed algorithm taken from the sugar industry is shown and compared with unfold‐PLS. Fluorescence excitation—emission matrices (EEMs) are measured on white sugar solutions and used to predict the ash content of the sugar. The predictions are comparable by the two methods, but there is a clear difference in the interpretability of the two solutions. Also shown is a simulated example of EEMs with very noisy measurements and a low relative signal from the analyte of interest. The predictions from unfold‐PLS are almost twice as bad as from tri‐PLS despite the large number of samples (125) used in the calibration.
The algorithms are available from World Wide Web: hhtp:\\newton.foodsci.kvl.dk\foodtech.
Citing Literature
Number of times cited according to CrossRef: 457
- Marta Sá, Carlo G. Bertinetto, Narcís Ferrer-Ledo, Jeroen J. Jansen, Rene Wijffels, João G. Crespo, Maria Barbosa, Claudia F. Galinha, Fluorescence spectroscopy and chemometrics for simultaneous monitoring of cell concentration, chlorophyll and fatty acids in Nannochloropsis oceanica, Scientific Reports, 10.1038/s41598-020-64628-7, 10, 1, (2020).
- Erdal Dinç, Zehra Ceren Ertekin, Nazangül Ünal, Three-way analysis of pH-UV absorbance dataset for the determination of paracetamol and its pKa value in presence of excipients, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2020.118049, (118049), (2020).
- Urban J. Wünsch, Jeffrey A. Hawkes, Mathematical chromatography deciphers the molecular fingerprints of dissolved organic matter, The Analyst, 10.1039/C9AN02176K, (2020).
- Qinqin Zhu, S. Joe Qin, Yining Dong, Dynamic Latent Variable Regression for Inferential Sensor Modeling and Monitoring, Computers & Chemical Engineering, 10.1016/j.compchemeng.2020.106809, (106809), (2020).
- Kelsey L. Berrier, Sarah E. Prebihalo, Robert E. Synovec, Advanced data handling in comprehensive two-dimensional gas chromatography, Basic Multidimensional Gas Chromatography, 10.1016/B978-0-12-813745-1.00007-6, (229-268), (2020).
- Wei Zhu, Nanjing Zhao, Ruifang Yang, Yunan Chen, Xiaowei Chen, Gaofang Yin, Jianguo Liu, Wenqing Liu, Simultaneous measurement of phenols by three-way fluorescence spectroscopy: A comparison of N-PLS/RBL, U-PLS/RBL and PARAFAC, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2020.118511, (118511), (2020).
- Olga Monago-Maraña, Jaime Domínguez-Manzano, Arsenio Muñoz de la Peña, Isabel Durán-Merás, Second-order calibration in combination with fluorescence fibre-optic data modelling as a novel approach for monitoring the maturation stage of plums, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2020.103980, 199, (103980), (2020).
- Xiaoxia Yang, Turghun Muhammad, Mahinur Bakri, Imran Muhammad, Jingjing Yang, Honglin Zhai, Abdujelil Abdurahman, Hailong Wu, Simple and fast spectrophotometric method based on chemometrics for the measurement of multicomponent adsorption kinetics, Journal of Chemometrics, 10.1002/cem.3249, 34, 8, (2020).
- Murtadha D. Hssayeni, Teresa Wilcox, Behnaz Ghoraani, undefined, 2020 42nd Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC), 10.1109/EMBC44109.2020.9176115, (394-397), (2020).
- Nasser Jalili-Jahani, Azadeh Fatehi, Ehsan Zeraatkar, PLS and N-PLS based MIA-QSPR modeling of the photodegradation half-lives for polychlorinated biphenyl congeners, RSC Advances, 10.1039/D0RA05231K, 10, 56, (33753-33761), (2020).
- undefined Hai-Long Wu, Tong Wang, Ru-Qin Yu, Recent advances in chemical multi-way calibration with second-order or higher-order advantages: Multilinear models, algorithms, related issues and applications, TrAC Trends in Analytical Chemistry, 10.1016/j.trac.2020.115954, (115954), (2020).
- Paige E. Sudol, Karisa M. Pierce, Sarah E. Prebihalo, Kristen J. Skogerboe, Bob W. Wright, Robert E. Synovec, Development of Gas Chromatographic Pattern Recognition and Classification Tools for Compliance and Forensic Analyses of Fuels: A Review, Analytica Chimica Acta, 10.1016/j.aca.2020.07.027, (2020).
- Erdal Dinç, Nazangül Ünal, Zehra Ceren Ertekin, Novel Three-Dimensional Resolution of a pH and Ultraviolet-Visible Absorption Spectral Dataset for the Determination of Desloratadine in a Pharmaceutical Product and Its Acid Dissociation Constant, Analytical Letters, 10.1080/00032719.2020.1721002, (1-17), (2020).
- Arnaud Gloaguen, Cathy Philippe, Vincent Frouin, Giulia Gennari, Ghislaine Dehaene-Lambertz, Laurent Le Brusquet, Arthur Tenenhaus, Multiway generalized canonical correlation analysis, Biostatistics, 10.1093/biostatistics/kxaa010, (2020).
- Ekaterina Martynko, Dmitry Kirsanov, Application of Chemometrics in Biosensing: A Brief Review, Biosensors, 10.3390/bios10080100, 10, 8, (100), (2020).
- Mostafa Reisi Gahrooei, Hao Yan, Kamran Paynabar, Jianjun Shi, Multiple Tensor-on-Tensor Regression: An Approach for Modeling Processes With Heterogeneous Sources of Data, Technometrics, 10.1080/00401706.2019.1708463, (1-23), (2020).
- Tong Wang, Hai-Long Wu, Wan-Jun Long, Yong Hu, Li Cheng, An-Qi Chen, Ru-Qin Yu, Rapid identification and quantification of cheaper vegetable oil adulteration in camellia oil by using excitation-emission matrix fluorescence spectroscopy combined with chemometrics, Food Chemistry, 10.1016/j.foodchem.2019.04.109, (2019).
- D. Hervás, J.M. Prats-Montalbán, J.C. García-Cañaveras, A. Lahoz, A. Ferrer, Sparse N-way Partial Least Squares by L1-penalization, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2019.01.004, (2019).
- Ts. Genova, E. Borisova, B. Vladimirov, M. Kermedchiev, N. Penkov, L. Avramov, undefined, , 10.1063/1.5091379, (170014), (2019).
- Ewa Sikorska, Igor Khmelinskii, Marek Sikorski, Fluorescence spectroscopy and imaging instruments for food quality evaluation, Evaluation Technologies for Food Quality, 10.1016/B978-0-12-814217-2.00019-6, (491-533), (2019).
- Alessandra Biancolillo, Tormod Næs, The Sequential and Orthogonalized PLS Regression for Multiblock Regression, Data Fusion Methodology and Applications, 10.1016/B978-0-444-63984-4.00006-5, (157-177), (2019).
- Filip Ciepiela, Małgorzata Jakubowska, Pattern recognition in voltammetric signals by ASD trilinear decomposition, Talanta, 10.1016/j.talanta.2019.05.043, (2019).
- Shereen A. Boltia, Ahmed S. Fayed, Awadh Musaed, Maha A. Hegazy, Bilinear and trilinear algorithms utilizing full and selected variables for resolution and quantitation of four components with overlapped spectral signals in bulk and syrup dosage form, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2019.117219, (117219), (2019).
- Julien Boccard, Serge Rudaz, Analysis of Metabolomics Data—A Chemometrics Perspective, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 10.1016/B978-0-12-409547-2.14593-7, (2019).
- Rocío Ríos-Reina, Juan A. Ocaña, Silvana M. Azcarate, Juan L. Pérez-Bernal, Mercedes Villar-Navarro, Raquel M. Callejón, Excitation-Emission fluorescence as a tool to assess the presence of grape-must caramel in PDO wine vinegars, Food Chemistry, 10.1016/j.foodchem.2019.02.008, (2019).
- Alexander E. Stott, Bruno Scalzo Dees, Ilia Kisil, Danilo P. Mandic, A Class of Multidimensional NIPALS Algorithms for Quaternion and Tensor Partial Least Squares Regression, Signal Processing, 10.1016/j.sigpro.2019.03.002, (2019).
- Mohamed Hanafi, El Mostafa Qannari, Benoit Jaillais, Multi-Block and Three-Way Data Analysis, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 10.1016/B978-0-12-409547-2.14717-1, (2019).
- Alexander W. Caulk, Kevin A. Janes, Robust latent-variable interpretation of in vivo regression models by nested resampling, Scientific Reports, 10.1038/s41598-019-55796-2, 9, 1, (2019).
- Sheila Hernandez, Juan V. Perales-Rondon, Aranzazu Heras, Alvaro Colina, Electrochemical SERS and SOERS in a single experiment: A new methodology for quantitative analysis, Electrochimica Acta, 10.1016/j.electacta.2019.135561, (135561), (2019).
- Ewa Sikorska, Fluorescence Spectroscopy and Chemometrics in Analysis of Beverages, Quality Control in the Beverage Industry, 10.1016/B978-0-12-816681-9.00005-9, (161-203), (2019).
- Ahmad Mani-Varnosfaderani, Sparse Methods, Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, 10.1016/B978-0-12-409547-2.14592-5, (2019).
- Alessandra Biancolillo, Maria Anna Maggi, Alessandra De Martino, Federico Marini, Fabrizio Ruggieri, Angelo Antonio D’Archivio, Authentication of PDO saffron of L’Aquila (Crocus sativus L.) by HPLC-DAD coupled with a discriminant multi-way approach, Food Control, 10.1016/j.foodcont.2019.107022, (107022), (2019).
- Xu Jing, undefined, IGARSS 2019 - 2019 IEEE International Geoscience and Remote Sensing Symposium, 10.1109/IGARSS.2019.8898214, (8505-8508), (2019).
- Erdal Dinç, Eda Büker, Spectrochromatographic determination of dorzolamide hydrochloride and timolol maleate in an ophthalmic solution using three-way analysis methods, Talanta, 10.1016/j.talanta.2018.08.082, 191, (248-256), (2019).
- Qian Gao, Lars O. Dragsted, Timothy Ebbels, Comparison of Bi- and Tri-Linear PLS Models for Variable Selection in Metabolomic Time-Series Experiments, Metabolites, 10.3390/metabo9050092, 9, 5, (92), (2019).
- Nathan W. Churchill, Eduardo Caverzasi, Simon J. Graham, Michael G. Hutchison, Tom A. Schweizer, White matter during concussion recovery: Comparing diffusion tensor imaging (DTI) and neurite orientation dispersion and density imaging (NODDI), Human Brain Mapping, 10.1002/hbm.24500, 40, 6, (1908-1918), (2018).
- Geert Gins, Jan F.M. Van Impe, Marco S. Reis, Finding the optimal time resolution for batch-end quality prediction: MRQP – A framework for multi-resolution quality prediction, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2017.12.006, 172, (150-158), (2018).
- Sonia Tarazona, Leandro Balzano-Nogueira, Ana Conesa, Multiomics Data Integration in Time Series Experiments, Data Analysis for Omic Sciences: Methods and Applications, 10.1016/bs.coac.2018.06.005, (505-532), (2018).
- Ali R. Jalalvand, Mahmoud Roushani, Hector C. Goicoechea, Douglas N. Rutledge, Hui-Wen Gu, MATLAB in electrochemistry: A review, Talanta, 10.1016/j.talanta.2018.10.041, (2018).
- Atefeh Kanginejad, Ahmad Mani-Varnosfaderani, Chemometrics advances on the challenges of the gas chromatography–mass spectrometry metabolomics data: a review, Journal of the Iranian Chemical Society, 10.1007/s13738-018-1461-5, 15, 12, (2733-2745), (2018).
- D. Hervás, J.M. Prats-Montalbán, A. Lahoz, A. Ferrer, Sparse N-way partial least squares with R package sNPLS, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2018.06.005, 179, (54-63), (2018).
- Daniella L. Vale, Paula F. de Aguiar, Lize Mirela S.L. de Oliveira, Gabriela Vanini, Vinicius B. Pereira, Larissa O. Alexandre, Giovani S.C. da Silva, Luiz André Mendes, Alexandre O. Gomes, Débora A. Azevedo, Comprehensive and multidimensional tools for crude oil property prediction and petrochemical industry refinery inferences, Fuel, 10.1016/j.fuel.2018.01.109, 223, (188-197), (2018).
- Shiquan Sun, Xifang Sun, Yan Zheng, Higher-order partial least squares for predicting gene expression levels from chromatin states, BMC Bioinformatics, 10.1186/s12859-018-2100-y, 19, S5, (2018).
- Abel Folch-Fortuny, Bas Teusink, Huub C.J. Hoefsloot, Age K. Smilde, Alberto Ferrer, Dynamic elementary mode modelling of non-steady state flux data, BMC Systems Biology, 10.1186/s12918-018-0589-3, 12, 1, (2018).
- Pablo Mortera, Federico A. Zuljan, Christian Magni, Santiago A. Bortolato, Sergio H. Alarcón, Multivariate analysis of organic acids in fermented food from reversed-phase high-performance liquid chromatography data, Talanta, 10.1016/j.talanta.2017.09.005, 178, (15-23), (2018).
- Riham El Kurdi, Keshav Kumar, Digambara Patra, Random initialisation of the excitation-emission matrix fluorescence spectral variables in constraint fashion for subsequent multivariate curve resolution alternating least square analysis on a peculiarly designed calibration set: Simultaneous sensing of nine polycyclic aromatic hydrocarbons in water samples, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2018.06.067, 204, (354-361), (2018).
- Ji Yeh Choi, Seungmi Yang, Arthur Tenenhaus, Heungsun Hwang, Three-Way Generalized Structured Component Analysis, Quantitative Psychology, 10.1007/978-3-319-77249-3_17, (195-209), (2018).
- Nathan W. Churchill, Michael G. Hutchison, Simon J. Graham, Tom A. Schweizer, Connectomic markers of symptom severity in sport-related concussion: Whole-brain analysis of resting-state fMRI, NeuroImage: Clinical, 10.1016/j.nicl.2018.02.011, 18, (518-526), (2018).
- Oshri Rinot, William R. Osterholz, Michael J. Castellano, Raphael Linker, Matt Liebman, Avi Shaviv, Excitation‐Emission‐Matrix Fluorescence Spectroscopy of Soil Water Extracts to Predict Nitrogen Mineralization Rates, Soil Science Society of America Journal, 10.2136/sssaj2017.06.0188, 82, 1, (126-135), (2018).
- Lijia Luo, Trajectory‐based phase partition and multiphase multilinear models for monitoring and quality prediction of multiphase batch processes, Journal of Chemometrics, 10.1002/cem.3013, 32, 7, (2018).
- Antonio Lepore, Biagio Palumbo, Christian Capezza, Analysis of profiles for monitoring of modern ship performance via partial least squares methods, Quality and Reliability Engineering International, 10.1002/qre.2336, 34, 7, (1424-1436), (2018).
- Rui M C Portela, Moritz von Stosch, Rui Oliveira, Hybrid semiparametric systems for quantitative sequence-activity modeling of synthetic biological parts, Synthetic Biology, 10.1093/synbio/ysy010, 3, 1, (2018).
- Víctor Sánchez-Gaya, Salvador Casaní-Galdón, Manuel Ugidos, Zheng Kuang, Jane Mellor, Ana Conesa, Sonia Tarazona, Elucidating the Role of Chromatin State and Transcription Factors on the Regulation of the Yeast Metabolic Cycle: A Multi-Omic Integrative Approach, Frontiers in Genetics, 10.3389/fgene.2018.00578, 9, (2018).
- Ubaid ur Rahman, Amna Sahar, Imran Pasha, Sajjad ur Rahman, Anum Ishaq, Assessing the capability of Fourier transform infrared spectroscopy in tandem with chemometric analysis for predicting poultry meat spoilage, PeerJ, 10.7717/peerj.5376, 6, (e5376), (2018).
- Maryam Vosough, Current challenges in second‐order calibration of hyphenated chromatographic data for analysis of highly complex samples, Journal of Chemometrics, 10.1002/cem.2976, 32, 12, (2017).
- Dong Yang, Anxiang Lu, Dong Ren, Jihua Wang, Detection of total viable count in spiced beef using hyperspectral imaging combined with wavelet transform and multiway partial least squares algorithm, Journal of Food Safety, 10.1111/jfs.12390, 38, 1, (2017).
- Andrey Bogomolov, Valeria Belikova, Vladislav Galyanin, Anastasiia Melenteva, Hans Meyer, Reference-free spectroscopic determination of fat and protein in milk in the visible and near infrared region below 1000 nm using spatially resolved diffuse reflectance fiber probe, Talanta, 10.1016/j.talanta.2017.02.047, 167, (563-572), (2017).
- Erdal Dinç, Zehra Ceren Ertekin, Eda Büker, Multiway analysis methods applied to the fluorescence excitation-emission dataset for the simultaneous quantification of valsartan and amlodipine in tablets, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2017.04.081, 184, (255-261), (2017).
- Alessandra Biancolillo, Tormod Næs, Rasmus Bro, Ingrid Måge, Extension of SO-PLS to multi-way arrays: SO-N-PLS, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2017.03.002, 164, (113-126), (2017).
- Ali R. Jalalvand, Applications of Chemometrics‐Assisted Voltammetric Analysis, Applications of the Voltammetry, 10.5772/65154, (2017).
- María L. Privitera, Valeria A. Lozano, Development of a second-order standard addition fluorescence method for the direct determination of riboflavin in human urine samples without previous clean up and separation steps, Microchemical Journal, 10.1016/j.microc.2017.02.033, 133, (60-66), (2017).
- Sarah Engel, Tetiana Aksenova, Andrey Eliseyev, Kernel-Based NPLS for Continuous Trajectory Decoding from ECoG Data for BCI Applications, Latent Variable Analysis and Signal Separation, 10.1007/978-3-319-53547-0_39, (417-426), (2017).
- G. Luciani, A. Berardinelli, M. Crescentini, A. Romani, M. Tartagni, L. Ragni, Non-invasive soil moisture sensing based on open-ended waveguide and multivariate analysis, Sensors and Actuators A: Physical, 10.1016/j.sna.2017.08.034, 265, (236-245), (2017).
- Shaohui Yu, Xue Xiao, Hong Ding, Ge Xu, Haixia Li, Jing Liu, Weighted partial least squares based on the error and variance of the recovery rate in calibration set, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2017.04.029, 183, (138-143), (2017).
- Matías Insausti, Adriano de Araújo Gomes, José Manuel Camiña, Mario Cesar Ugulino de Araújo, Beatriz Susana Fernández Band, Fluorescent fingerprints of edible oils and biodiesel by means total synchronous fluorescence and Tucker3 modeling, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2016.12.027, 175, (185-190), (2017).
- Andrey Eliseyev, Vincent Auboiroux, Thomas Costecalde, Lilia Langar, Guillaume Charvet, Corinne Mestais, Tetiana Aksenova, Alim-Louis Benabid, Recursive Exponentially Weighted N-way Partial Least Squares Regression with Recursive-Validation of Hyper-Parameters in Brain-Computer Interface Applications, Scientific Reports, 10.1038/s41598-017-16579-9, 7, 1, (2017).
- Ali R. Jalalvand, Hector C. Goicoechea, Douglas N. Rutledge, Applications and challenges of multi-way calibration in electrochemical analysis, TrAC Trends in Analytical Chemistry, 10.1016/j.trac.2016.11.002, 87, (32-48), (2017).
- Milagros Montemurro, Gabriel G. Siano, Mirta R. Alcaráz, Héctor C. Goicoechea, Third order chromatographic-excitation–emission fluorescence data: Advances, challenges and prospects in analytical applications, TrAC Trends in Analytical Chemistry, 10.1016/j.trac.2017.05.011, 93, (119-133), (2017).
- Balakumar Balasingam, Pujitha Mannaru, David Sidoti, Krishna Pattipati, Peter Willett, Online Anomaly Detection in Big Data: The First Line of Defense Against Intruders, Data Science and Big Data: An Environment of Computational Intelligence, 10.1007/978-3-319-53474-9_4, (83-107), (2017).
- Bruno G. Botelho, Kele C.F. Dantas, Marcelo M. Sena, Determination of allura red dye in hard candies by using digital images obtained with a mobile phone and N-PLS, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2017.05.004, 167, (44-49), (2017).
- Bruno G. Botelho, Leandro S. Oliveira, Adriana S. Franca, Fluorescence spectroscopy as tool for the geographical discrimination of coffees produced in different regions of Minas Gerais State in Brazil, Food Control, 10.1016/j.foodcont.2017.01.020, 77, (25-31), (2017).
- Fernanda S. L. Costa, Priscila P. Silva, Camilo L. M. Morais, Raquel C. Theodoro, Thales D. Arantes, Kássio M. G. Lima, Comparison of multivariate classification algorithms using EEM fluorescence data to distinguish Cryptococcus neoformans and Cryptococcus gattii pathogenic fungi, Analytical Methods, 10.1039/C7AY00781G, 9, 26, (3968-3976), (2017).
- Nathan W. Churchill, Eduardo Caverzasi, Simon J. Graham, Michael G. Hutchison, Tom A. Schweizer, White matter microstructure in athletes with a history of concussion: Comparing diffusion tensor imaging (DTI) and neurite orientation dispersion and density imaging (NODDI), Human Brain Mapping, 10.1002/hbm.23658, 38, 8, (4201-4211), (2017).
- Erik Skibsted, Johan Westerhuis, Age Smilde, D.T. Witte, A Theoretical Framework for Real Time Release with NIR and Chemometrics, NIR news, 10.1255/nirn.878, 17, 2, (4-6), (2017).
- N. Allosio, P. Boivin, D. Bertrand, P. Courcoux, Characterisation of Barley Transformation into Malt by Three-Way Factor Analysis of near Infrared Spectra, Journal of Near Infrared Spectroscopy, 10.1255/jnirs.109, 5, 3, (157-166), (2017).
- Xin Zhang, Lexin Li, Tensor Envelope Partial Least-Squares Regression, Technometrics, 10.1080/00401706.2016.1272495, 59, 4, (426-436), (2016).
- Erdal Dinç, Zehra Ceren Ertekin, Eda Büker, Two‐way and three‐way approaches to ultra high performance liquid chromatography–photodiode array dataset for the quantitative resolution of a two‐component mixture containing ciprofloxacin and ornidazole, Journal of Separation Science, 10.1002/jssc.201600382, 39, 18, (3488-3497), (2016).
- Ruifang Yang, Nanjing Zhao, Xue Xiao, Gaofang Yin, Shaohui Yu, Jianguo Liu, Wenqing Liu, Quantifying PAHs in water by three-way fluorescence spectra and second-order calibration methods, Optics Express, 10.1364/OE.24.0A1148, 24, 14, (A1148), (2016).
- Xue Wang, Bao Qiong Li, Hong Lin Zhai, Meng Yi Xiong, Ying Liu, An efficient approach to the quantitative analysis of humic acid in water, Food Chemistry, 10.1016/j.foodchem.2015.06.074, 190, (1033-1039), (2016).
- Lijia Luo, Shiyi Bao, Jianfeng Mao, Di Tang, Quality prediction and quality-relevant monitoring with multilinear PLS for batch processes, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2015.11.004, 150, (9-22), (2016).
- Adrian Marcelo Granero, Gastón Darío Pierini, Sebastián Noel Robledo, María Susana Di Nezio, Héctor Fernández, María Alicia Zon, Simultaneous determination of ascorbic and uric acids and dopamine in human serum samples using three-way calibration with data from square wave voltammetry, Microchemical Journal, 10.1016/j.microc.2016.07.004, 129, (205-212), (2016).
- Ali Mokhtari, Nastaran Jafari Delouei, Mohsen Keyvanfard, Mohammad Abdolhosseini, Multiway analysis applied to time‐resolved chemiluminescence for simultaneous determination of paracetamol and codeine in pharmaceuticals, Luminescence, 10.1002/bio.3100, 31, 6, (1267-1276), (2016).
- Shaohui Yu, Xue Xiao, Recovery of excitation-emission fluorescence spectroscopy based on structural similarity, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2016.05.011, 156, (54-61), (2016).
- Erdal Dinç, Eda Büker, Parallel factor analysis and trilinear partial least squares applied to the UPLC-PDA data array for the quantification of brimonidine tartrate and timolol maleate in an eye drop formulation, Journal of Liquid Chromatography & Related Technologies, 10.1080/10826076.2016.1174941, 39, 7, (374-383), (2016).
- Erdal Dinç, Zehra Ceren Ertekin, Three-way analysis of the UPLC–PDA dataset for the multicomponent quantitation of hydrochlorothiazide and olmesartan medoxomil in tablets by parallel factor analysis and three-way partial least squares, Talanta, 10.1016/j.talanta.2015.10.074, 148, (144-152), (2016).
- A. Folch-Fortuny, J.M. Prats-Montalbán, S. Cubero, J. Blasco, A. Ferrer, VIS/NIR hyperspectral imaging and N-way PLS-DA models for detection of decay lesions in citrus fruits, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2016.05.005, 156, (241-248), (2016).
- Matthias Otto, Modeling, Chemometrics, 10.1002/9783527699377, (213-272), (2016).
- Thiago I.B. Lopes, Bruno Geloneze, José C. Pareja, Antônio R. Calixto, Márcia M.C. Ferreira, Anita J. Marsaioli, “Omics” Prospective Monitoring of Bariatric Surgery: Roux-En-Y Gastric Bypass Outcomes Using Mixed-Meal Tolerance Test and Time-Resolved 1 H NMR-Based Metabolomics , OMICS: A Journal of Integrative Biology, 10.1089/omi.2016.0061, 20, 7, (415-423), (2016).
- Andrey Eliseyev, Tetiana Aksenova, Penalized Multi-Way Partial Least Squares for Smooth Trajectory Decoding from Electrocorticographic (ECoG) Recording, PLOS ONE, 10.1371/journal.pone.0154878, 11, 5, (e0154878), (2016).
- Hadi Parastar, Sara Mostafapour, Gholamhasan Azimi, Quality assessment of gasoline using comprehensive two‐dimensional gas chromatography combined with unfolded partial least squares: A reliable approach for the detection of gasoline adulteration, Journal of Separation Science, 10.1002/jssc.201500720, 39, 2, (367-374), (2015).
- Cristina D. Bernardes, Paulo J. S. Barbeira, Different Chemometric Methods for the Discrimination of Commercial Aged Cachaças, Food Analytical Methods, 10.1007/s12161-015-0284-6, 9, 4, (1053-1059), (2015).
- Abdolhossein Naseri, Bahar Ghasemzadeh, Karim Asadpour-Zeynali, Second-order advantage in determining Co (II) in real samples using kinetic-spectrophotometric data matrices and multivariate curve resolution-alternating least square approach, Journal of the Iranian Chemical Society, 10.1007/s13738-015-0780-z, 13, 4, (679-687), (2015).
- Golnar Ahmadi, Roma Tauler, Hamid Abdollahi, Multivariate calibration of first-order data with the correlation constrained MCR-ALS method, Chemometrics and Intelligent Laboratory Systems, 10.1016/j.chemolab.2014.11.010, 142, (143-150), (2015).
- Adriano de Araújo Gomes, Agustina V. Schenone, Héctor C. Goicoechea, Mario Cesar U. de Araújo, Unfolded partial least squares/residual bilinearization combined with the Successive Projections Algorithm for interval selection: enhanced excitation-emission fluorescence data modeling in the presence of the inner filter effect, Analytical and Bioanalytical Chemistry, 10.1007/s00216-015-8745-8, 407, 19, (5649-5659), (2015).
- Karisa M. Pierce, Brendon A. Parsons, Robert E. Synovec, Pixel-Level Data Analysis Methods for Comprehensive Two-Dimensional Chromatography, Fundamentals and Analytical Applications of Multiway Calibration, 10.1016/B978-0-444-63527-3.00010-2, (427-463), (2015).
- Christophe Eklouh-Molinier, Vincent Gaydou, Emmanuel Froigneux, Pascale Barlier, Virginie Couturaud, Michel Manfait, Olivier Piot, In vivo confocal Raman microspectroscopy of the human skin: highlighting of spectral markers associated to aging via a research of correlation between Raman and biometric mechanical measurements, Analytical and Bioanalytical Chemistry, 10.1007/s00216-015-8964-z, 407, 27, (8363-8372), (2015).
- Dana Lahat, Tulay Adali, Christian Jutten, Multimodal Data Fusion: An Overview of Methods, Challenges, and Prospects, Proceedings of the IEEE, 10.1109/JPROC.2015.2460697, 103, 9, (1449-1477), (2015).
- Alejandro C. Olivieri, Graciela M. Escandar, Héctor C. Goicoechea, Arsenio Muñoz de la Peña, Unfolded and Multiway Partial Least-Squares with Residual Multilinearization, Fundamentals and Analytical Applications of Multiway Calibration, 10.1016/B978-0-444-63527-3.00007-2, (347-363), (2015).
- Elena Guzmán, Vincent Baeten, Juan Antonio Fernández Pierna, José A. García-Mesa, Evaluation of the overall quality of olive oil using fluorescence spectroscopy, Food Chemistry, 10.1016/j.foodchem.2014.10.041, 173, (927-934), (2015).
- Jing Xu, Yu-Tian Wang, Xiao-Fei Liu, A novel pretreatment method of three-dimensional fluorescence data for quantitative measurement of component contents in mixture, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 10.1016/j.saa.2014.12.112, 140, (484-488), (2015).
- See more
