Combination of fingerprint and chemometric analytical approaches to identify the geographical origin of Qinghai-Tibet plateau rapeseed oil by Ziqin Ye, Jinying Wang, Shengrui Gan, Guoxin Dong, Furong Yang

“…To assess the accuracy of the prediction of origin, classification models were developed using PCA, OPLS-DA, and LDA. It was found that multivariate analysis combined with PCA separate 96% of the samples, and the correct sample discrimination rate based on the OPLS-DA model was over 98%. …”
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Single seed Near Infrared Spectroscopy discriminates viable and non-viable seeds of Juniperus polycarpos by Abolfazl Daneshvar, Mulualem Tigabu, Asaddollah Karimidoost, Per Oden

“…Both modelling approaches resulted in 98% and 100% classification accuracy for viable and non-viable seeds in the test set, respectively. However, OPLS-DA models were superb in terms of model parsimony and information quality. …”
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Metabolite and Lipid Profiling of Biobank Plasma Samples Collected Prior to Onset of Rheumatoid Arthritis. by Izabella Surowiec, Lisbeth Ärlestig, Solbritt Rantapää-Dahlqvist, Johan Trygg

“…Lipid and metabolite profiles discriminating samples from pre-symptomatic individuals from controls were identified after univariate and multivariate OPLS-DA based analyses.The OPLS-DA models including pre-symptomatic individuals and controls identified profiles differentiating between the groups that was characterized by lower levels of acyl-carnitines and fatty acids, with higher levels of lysophospatidylcholines (LPCs) and metabolites from tryptophan metabolism in pre-symptomatic individuals compared with controls. …”
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Gas chromatography time-of-flight mass spectrometry (GC-TOF-MS)-based metabolomics for comparison of caffeinated and decaffeinated coffee and its implications for Alzheimer's disea... by Kai Lun Chang, Paul C Ho

“…Orthogonal partial least squares discriminant analysis (OPLS-DA) showed distinct separation between the two types of coffee (cumulative Q(2) = 0.998). …”
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Comprehensive metabolomics unveil the discriminatory metabolites of some Mediterranean Sea marine algae in relation to their cytotoxic activities by Dina S. Ghallab, Eman Shawky, Reham S. Ibrahim, Mohamed M. Mohyeldin

“…An OPLS model was constructed using the cytotoxic activities against PC3 and MDA-MB-231 tumor cells to succinctly screen cytotoxic discriminatory metabolites among the tested algae species. …”
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Extraction of Mechanical Parameters via Molecular Dynamics Simulation: Application to Polyimides by Philipp Rosenauer, Christoph Kratzer, Silvia Larisegger, Stefan Radl

“…Specifically, we demonstrate that the OPLS-AA force field can be used to successfully describe an often-used polyimide (i.e., Kapton^®) with respect to its Young’s modulus and Poisson’s ratio. …”
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Multivariate regression modelling for gender prediction using volatile organic compounds from hand odor profiles via HS-SPME-GC-MS. by Chantrell J G Frazier, Vidia A Gokool, Howard K Holness, DeEtta K Mills, Kenneth G Furton

“…The volatile organic compound (VOC) signatures from subjects' hand odor profiles were evaluated with supervised dimensional reduction techniques: Partial Least Squares-Discriminant Analysis (PLS-DA), Orthogonal-Projections to Latent Structures Discriminant Analysis (OPLS-DA), and Linear Discriminant Analysis (LDA). …”
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Comparative analysis of Fenghuang Dancong, Tieguanyin, and Dahongpao teas using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry and chemomet... by Zhangwei Li

“…In addition, chemometric methods such as hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA) were used for distinguishing and classifying the three types of oolong teas on the basis of the similarities and differences in the volatile components. …”
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Phenolic Profile, Antioxidant Activity, and Chemometric Classification of Carob Pulp and Products by Georgia D. Ioannou, Ioanna K. Savva, Atalanti Christou, Ioannis J. Stavrou, Constantina P. Kapnissi-Christodoulou

“…The obtained results (antioxidant activity and phenolic profile) were evaluated via chemometrics, through a preliminary principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA). The OPLS-DA model performed satisfactorily, differentiating all samples according to their matrix. …”
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Statistical Methods for Rapid Quantification of Proteins, Lipids, and Carbohydrates in Nordic Microalgal Species Using ATR–FTIR Spectroscopy by Lorenza Ferro, Zivan Gojkovic, András Gorzsás, Christiane Funk

“…Three statistical methods—univariate linear regression analysis (ULRA), orthogonal partial least squares (OPLS), and multivariate curve resolution-alternating least squares (MCR–ALS)—were compared in their ability to model and predict the concentration of these compounds in the biomass. …”
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Comparative analysis of Fenghuang Dancong, Tieguanyin, and Dahongpao teas using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry and chemomet... by Zhangwei Li

“…In addition, chemometric methods such as hierarchical cluster analysis (HCA), principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA) were used for distinguishing and classifying the three types of oolong teas on the basis of the similarities and differences in the volatile components. …”
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Combined multivariate and pathway analyses show that allergen-induced gene expression changes in CD4+ T cells are reversed by glucocorticoids. by Yelin Zhao, Hui Wang, Mika Gustafsson, Antonella Muraro, Sören Bruhn, Mikael Benson

“…To identify the correlation between changes in gene expression in allergen-challenged CD4(+) T cells before and after GC treatment, we performed orthogonal partial least squares discriminant analysis (OPLS-DA) followed by Pearson correlation analysis. …”
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Amino acid determination by HPLC combined with multivariate approach for geographical classification of Malaysian Edible Bird's Nest by Lee, Ting Hun, Lee, Chia Hau, Azmi, Nurul Alia, Liew, Rock Keey, Hamdan, Norfadilah, Wong, Syie Luing, Ong, Pei Ying

“…The data obtained was used to identify the reliable potential markers between WM and EM via serial multivariate analysis including hierarchical clustering analysis (HCA), principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA). EBN samples from WM and EM were clearly distinguished by the developed OPLS-DA model with high prediction ability (Q2) of 62.7 %. …”
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Big cohort metabolomic profiling of serum for oral squamous cell carcinoma screening and diagnosis by Xihu Yang, Xiaowei Song, Xudong Yang, Wei Han, Yong Fu, Shuai Wang, Xiaoxin Zhang, Guowen Sun, Yong Lu, Zhiyong Wang, Yanhong Ni, Richard N. Zare, Qingang Hu

“…Furthermore, orthogonal partial least square‐discriminant analysis (OPLS‐DA) also initially showed the potential for OSCC staging, especially between T1/T2 and T3/T4 stages with an accuracy of 90.1%. …”
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Early Diagnosis of Fibromyalgia Using Surface-Enhanced Raman Spectroscopy Combined with Chemometrics by Haona Bao, Kevin V. Hackshaw, Silvia de Lamo Castellvi, Yalan Wu, Celeste Matos Gonzalez, Shreya Madhav Nuguri, Siyu Yao, Chelsea M. Goetzman, Zachary D. Schultz, Lianbo Yu, Rija Aziz, Michelle M. Osuna-Diaz, Katherine R. Sebastian, Monica M. Giusti, Luis Rodriguez-Saona

“…This exploratory work suggests that the AuNP SERS method in combination with OPLS-DA analysis has great potential for the label-free diagnosis of FM.…”
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Estimates of free-tropospheric NO₂ and HCHO mixing ratios derived from high-altitude mountain MAX-DOAS observations at midlatitudes and in the tropics by S. F. Schreier, A. Richter, F. Wittrock, J. P. Burrows

“…Firstly, the horizontal optical path length (hOPL) is obtained from O₄ differential slant column densities (DSCDs) in the horizontal (0°) and vertical (90°) viewing directions. …”
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Analysis of Odor Components in Salted Egg Yolk during Thermal Processing Using Gas Chromatography-Mass Spectrometry and Multivariate Statistical Analysis by LI Xiangyu, XIONG Yating, TENG Jianwen, WEI Baoyao, HUANG Li, XIA Ning

“…Odor compounds produced in salted egg yolk during thermal processing were identify by sensory evaluation and gas chromatography-mass spectrometry (GC-MS) combined with multivariate statistical analysis such as hierarchical cluster analysis (HCA), orthogonal partial least squares-discriminant analysis (OPLS-DA) and principal component analysis (PCA). …”
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Multielemental Analysis Associated with Chemometric Techniques for Geographical Origin Discrimination of Tea Leaves (<i>Camelia sinensis</i>) in Guizhou Province, SW China by Jian Zhang, Ruidong Yang, Rong Chen, Yuncong C. Li, Yishu Peng, Chunlin Liu

“…Chemometrics evaluations were conducted using a one-way analysis of variance (ANOVA), principal component analysis (PCA), linear discriminant analysis (LDA), and orthogonal partial least squares discriminant analysis (OPLS-DA). The results showed that the concentrations of the 28 elements were significantly different among the three regions (<i>p</i> &lt; 0.05). …”
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Metabonomic Profiling Reveals Difference in Altered Metabolic Pathways Between Chronic Kidney Disease and High-Fat-Induced Insulin Resistance in Rats by Zhuo Xu, Li Zhang, Jiao Li, Yang Zhao, Xiangmei Chen

“…Methods: Ultra-performance liquid chromatography-tandem mass spectrometer (UPLC-MS) analysis coupled with orthogonal partial least square discriminant analysis (OPLS-DA) were performed to profile metabolites in the serum, liver, and muscle tissues and to analyze molecular pathways in relation to CKD- and high fat diet (HFD)-induced IR in the rats. …”
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Identification and similarity analysis of aroma substances in main types of Fenghuang Dancong tea. by Zhangwei Li, Juhong Wang

“…The principal component analysis (PCA) and orthogonal partial least squares discrimination analysis (OPLS-DA) method were employed to determine the volatile components with a high contribution to the overall aroma of each type of tea. …”
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