Novel urinary metabolite signature for diagnosing postpartum depression by Lin L, Chen X, Liu R

“…The orthogonal partial least-squares-discriminant analysis (OPLS-DA) was used to identify the differential metabolites. …”
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Cerebrospinal Fluid Metabolomics Identified Ongoing Analgesic Medication in Neuropathic Pain Patients by Emmanuel Bäckryd, Katarina Thordeman, Björn Gerdle, Bijar Ghafouri

“…Multivariate data analysis by projection discriminant analysis (OPLS-DA) was used to separate information from noise and minimize the multiple testing problem. …”
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Honeycomb, a New Food Resource with Health Care Functions: The Difference of Volatile Compounds found in <i>Apis cerana</i> and <i>A. mellifera</i> Honeycombs by Xiali Guo, Yanlang Liang, Shengxiang Yi, Shengrong Qiu, Mingyan Liu, Fangjian Ning, Liping Luo

“…Additionally, orthogonal partial least squares discrimination analysis (OPLS-DA) revealed that benzaldehyde, octanal, limonene, ocimene, linalool, α-terpineol, and decanal are the significant VOCs in AMC extracts, which are mainly derived from propolis. …”
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Discrimination of the Geographical Origin of Chinese Chestnut Based on Stable Isotope and Rare Earth Element Fingerprint Characteristics by DENG Shiyi, YIN Ping, ZHANG Qiang, SONG Jun, LIU Xiaolei, LIU Lu, SUN Rui, SU Fang, ZHOU Xueyong, CHEN Qiusheng

“…The results showed that the cross-validation rate of the OPLS-DA model for the 10 geographical origins was 100%, and the area of the receiver operating characteristic (ROC) curve was close to 1. …”
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Effects of Different Base Wine Volumes on Volatile Compound Profile of Distilled Merlot Wine Analyzed by Headspace Solid-Phase Microextraction Combined with Gas Chromatography-Mass... by GUO Yayun, SHAO Xuedong, ZHANG Zhengwen, LI Bo, XUE Wei, SHI Hongmei

“…Ester content was significantly higher in the distillate from 150 L than 200 and 250 L from base wine. PCA and OPLS-DA results consistently showed that 13, 1, and 1 aroma substances had positive effects on distilled samples from 150, 200, and 250 L of base wine, respectively. …”
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Effects of Different Production Processes on the Quality and Flavor of Soybean Oil as Evaluated by Electronic Nose, HS-SPME-GC-MS and HS-GC-IMS by WU Siyu, XIE Xuan, LIU Yuwen, SUN Shukun, CHEN Hao

“…Finally, 45 volatile compounds with high contributions were selected by OPLS-DA, and a reliable model was constructed for identifying fragrant soybean oil. …”
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Overexpression of prothymosin alpha predicts poor disease outcome in head and neck cancer. by Satyendra Chandra Tripathi, Ajay Matta, Jatinder Kaur, Jorg Grigull, Shyam Singh Chauhan, Alok Thakar, Nootan Kumar Shukla, Ritu Duggal, Ajoy Roy Choudhary, Siddhartha Dattagupta, Mehar Chand Sharma, Ranju Ralhan, K W Michael Siu

“…In our recent study, tissue proteomic analysis of oral pre-malignant lesions (OPLs) and normal oral mucosa led to the identification of a panel of biomarkers, including prothymosin alpha (PTMA), to distinguish OPLs from histologically normal oral tissues. …”
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Elemental Profiling for Discrimination of Geographical Origin of Tea (Camellia sinensis) in north-east region of India by ICP-MS coupled with Chemometric techniques by Bappaditya Kanrar, Sangeeta Kundu, Pathik Khan, Vinay Jain

“…Multivariate chemometric analysis with PCA, LDA, SVM &amp; OPLS DA were performed on the concentration of 18 elements on 307 authentic sample set. …”
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GC-FID-MS Based Metabolomics to Access Plum Brandy Quality by Stefan Ivanović, Katarina Simić, Vele Tešević, Ljubodrag Vujisić, Marko Ljekočević, Dejan Gođevac

“…The utilization of PCA and OPLS-DA multivariate analysis methods on GC-FID-MS, enabled discrimination of brandy samples based on differences in plum varieties, pH of plum mash, and addition of selected yeast or enzymes during fermentation. …”
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Ultra-high Performance Liquid Chromatography-Tandem Mass Spectrometry-Based Metabolomic Analysis of Primary Metabolites in ‘Fengtang’ Plum Fruits from Different Geographical Origin... by ZHANG Qin, DONG Xiaoqing, LIN Xin, PENG Junsen, LUO Dengcan, HUANG Shi’an, ZHU Shouliang

“…Multivariate statistical analyses such as principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA) as well as metabolic pathway analysis were employed to explore the effect of the geographical origin on the primary metabolites of ‘Fengtang’ plum fruits. …”
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HPLC Fingerprint Analysis of <i>Cibotii rhizoma</i> from Different Regions and Identification of Common Peaks by LC-MS by Zhongjing Guo, Yu Duan, Zhimin Zhao, Depo Yang, Xinjun Xu

“…The results of HCA, PCA and OPLS-DA showed that 13 batches of samples were divided into three groups, and different markers were selected. …”
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FTIR-METABOLOMICS TO CORRELATE SORGHUM’S CHEMICAL PROFILE AND HCT-116 CYTOTOXICITY CHANGES DURING RICE-ANALOGUE PRODUCTION by Nancy Dewi Yuliana, Endang Prangdimurti, Didah Nur Faridah

“…The correlation between the FTIR profile and cytotoxic activity of RA was analyzed using one of the multivariate data analysis method namely orthogonal projection to the least square (OPLS). By comparing the OPLS data with FTIR data of compounds reported to be found in sorghum, it is shown that typical FTIR patterns for the phenolic com-pounds particularly ferulic acids, p-coumaric acid, and procyanidins, as well as phytosterols, were highly correlated with the RA’s cytotoxic activity. …”
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GC-MS Based Metabolite Profiling and Antibacterial Activity of Torch Ginger (<i>Etlingera elatior</i>) Flowers Extract by Wahyu Haryati Maser, Agus Purwoko, Nancy Dewi Yuliana, Linda Masniary Lubis, Alfi Khatib

“…The purpose of this study was to conduct GC-MS-based metabolite profiling of torch ginger flower and identify compounds correlated with its S. aureus antibacterial activity using Orthogonal Projection to Latent Structure (OPLS). Using the well diffusion method, the antibacterial activity of ethanol extract, hexane, chloroform, and ethyl acetate fractions with a concentration of 80 mg/mL were investigated. …”
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Metabolic profiling of milk thistle different organs using UPLC-TQD-MS/MS coupled to multivariate analysis in relation to their selective antiviral potential by Alaa A. El-Banna, Reham S. Ibrahim

“…Multivariate analysis, using OPLS-DA and HCA-heat map was applied to explore the main discriminatory phytoconstituents between organs. …”
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NMR metabolite comparison of local pigmented rice in Yogyakarta by Dio N. Wijaya, Febri Adi Susanto, Yekti Asih Purwestri, Dyah Ismoyowati, Tri Rini Nuringtyas

“…The resulting OPLS-DA score plot revealed a clear separation between black rice and red rice. …”
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Determination of Ten Flavonoids in the Raw and Fermented Fructus Aurantii by Quantitative Analysis of Multicomponents via a Single Marker (QAMS) Based on UPLC by Ting Yang, Yingying Huang, Qinru Li, Qijian Xu, Yangbing Fang, Jiangling Long, Aihua Huang, Meiqi Wang, Quan Xia

“…FFA and RFA can be readily distinguished based on OPLS-DA chemometric modelling and the corresponding chromatograms. …”
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Aroma-based discrimination of Egyptian versus Indian guava fruits and in response to probiotics as analyzed via SPME/GC–MS and chemometric tools by Islam M. Kamal, Ahmed Zayed, Tarek F. Eissa, Mohamed A. Farag

“…Multivariate data analyses were further applied for samples classification and markers determination, including principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). PCA score plot showed clear segregation of Egyptian from Indian specimens, whereas OPLS-DA revealed that β-caryophyllene was associated with white fruit versus 3-butenyl isothiocyanate and muurolol in red fruit type in the case of Indian guava. …”
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GC-MS-Based metabolite profiling of cosmos caudatus leaves possessing alpha-glucosidase inhibitory activity by Javadi, Neda, Abas, Faridah, Abdul Hamid, Azizah, Simoh, Sanimah, Shaari, Khozirah, Ismail, Intan Safinar, Mediani, Ahmed, Khatib, Alfi

“…The obtained OPLS scores indicated a distinct and remarkable separation into 6 clusters, which were indicative of the 6 different ethanol concentrations. …”
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Metabolomics combined with chemometric analysis to identify α-glucosidase inhibitors in Phaleria macrocarpa fruit extracts and its molecular docking simulation by Easmin, Sabina, Sarker, Zaidul Islam, Khatib, Alfi, Ferdosh, Sahena, Jaffri, Juliana, Uddin, ABM Helal, Murugesu, Suganya, Balan, Tavamani, Perumal, Vikneswari

“…The generated score scatter plot of OPLS showed a recognizable separation of all the extracts into six different clusters. …”

Investigation of α-glucosidase inhibitory metabolites from Tetracera scandens leaves by GC–MS metabolite profiling and docking studies by Nokhala, Ahmed, Siddiqui, Mohammad Jamshed, Ahmed, Qamar Uddin, Ahamad Bustamam, Muhammad Safwan, Zakaria, Zainul Amiruddin

“…GC–MS analysis was further carried out and the mass spectral data were correlated to the corresponding α-glucosidase inhibitory IC50 values via an orthogonal partial least squares (OPLS) model. The 100%, 80%, 60% and 40% methanol extracts displayed potent α-glucosidase inhibitory potentials. …”
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