Results 11 to 20 of about 7,546,064 (298)

PCA as a practical indicator of OPLS-DA model reliability. [PDF]

Curr Metabolomics, 2016
Principal Component Analysis (PCA) and Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) are powerful statistical modeling tools that provide insights into separations between experimental groups based on high-dimensional spectral measurements from NMR, MS or other analytical instrumentation.
Worley B, Powers R.
europepmc   +7 more sources

Chemical Fingerprint Analysis for Discovering Markers and Identifying Saussurea involucrata by HPLC Coupled with OPLS-DA. [PDF]

J Anal Methods Chem, 2020
The quality control of Saussurea involucrata has been greatly improved by macroscopic and microscopic identification and chemical profiling described in Chinese Pharmacopoeia since 2005. However, these methods have their own limitations, e.g., their dependence on personal experience and expertise, and it is a huge challenge to identify closely related ...
Ma Q, Chen X, Zhang K, Yao D, Yang L, Wang H, Bulemasi S, Huang J, Wang J.   +8 more
europepmc   +5 more sources

Effects of Three Extraction Methods on Avocado Oil Lipid Compounds Analyzed via UPLC-TOF-MS/MS with OPLS-DA. [PDF]

Foods, 2023
Avocado oil is excellent functional oil. Effects of three extraction methods (squeezing extraction, supercritical carbon dioxide extraction, and aqueous extraction) on the species, composition, and contents of lipids in avocado oil were analyzed via ultra-performance liquid chromatography–time-of-flight tandem mass spectrometry (UPLC-TOF-MS/MS), and ...
Liu Y, Xia Q, Qian Y, Kuang Y, Liu J, Lin L.   +5 more
europepmc   +4 more sources

Using OPLS-DA to Fingerprint Key Free Amino and Fatty Acids in Understanding the Influence of High Pressure Processing in New Zealand Clams. [PDF]

Foods, 2023
This study investigated the effect of high pressure processing (HPP) on the fatty acids and amino acids content in New Zealand Diamond Shell (Spisula aequilatera), Storm Shell (Mactra murchisoni), and Tua Tua (Paphies donacina) clams. The clam samples were subjected to HPP with varying levels of pressure (100, 200, 300, 400, 500, and 600 MPa) and ...
How MS, Hamid N, Liu Y, Kantono K, Oey I, Wang M.   +5 more
europepmc   +5 more sources

Classification and characterization on sorghums based on HS-GC-IMS combined with OPLS-DA and GA-PLS. [PDF]

Curr Res Food Sci
Headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) detected 206 and 186 samples of fresh and stored sorghums respectively with three major types in Baijiu industry. The fingerprints showed the differences of volatile compounds among fresh sorghum types by qualitative analysis and artificial recognition.
Liu M, Yang Y, Zhao X, Wang Y, Li M, Wang Y, Tian M, Zhou J.   +7 more
europepmc   +4 more sources

Raman Spectroscopy Study of Phosphorites Combined with PCA-HCA and OPLS-DA Models [PDF]

Minerals (Basel, Switzerland), 2019
Phosphorite is a nonrenewable strategic resource, a convenient and rapid method of phosphorite grade identification and classification is important to improve phosphate utilization. In this study, Raman spectroscopy has been combined with principal component analysis and hierarchical clustering analysis (PCA-HCA) and orthogonal partial least squares ...
Xiang-Bai Chen
exaly   +2 more sources

Volatile Fingerprinting and Regional Differentiation of Safflower (<i>Carthamus tinctorius</i> L.) Using GC-IMS Combined with OPLS-DA. [PDF]

Foods
This study aimed to systematically characterize the volatile organic compound (VOC) profiles of safflower (Carthamus tinctorius L.) from eight major production regions, providing a scientific basis for quality evaluation and geographical traceability. VOC profiling was conducted using gas chromatography–ion mobility spectrometry (GC–IMS), and regional ...
Liu J, Duan H, Wang L, Qin R, Liu J, Liu H, Bao S, Yan W.   +7 more
europepmc   +4 more sources

Formation Mechanism of Lipid and Flavor of Lard Under the Intervention of Heating Temperature via UPLC-TOF-MS/MS with OPLS-DA and HS-GC-IMS Analysis. [PDF]

Foods
Lard imparts unique organoleptic properties that underpin its essential role in Chinese gastronomy; however, the specific lipid precursors contributing to its aroma remain unclear. This study explores the flavor formation mechanism of lard by comparing its texture and aroma at two preparation temperatures, 130 °C and 100 °C.
Zhai E, Zhang J, Zhu J, Zhou R, Niu Y, Xiao Z.   +5 more
europepmc   +4 more sources

Enhancing Metabolomics Analysis: Performance Evaluation of OPLS‐DA and OPLS‐EP Models

Journal of Chemometrics
ABSTRACT In the analysis of metabolomics data, selecting the appropriate statistical approach is crucial for maximizing model interpretation, predictivity and reliability. This study evaluates the effectiveness of Orthogonal Partial Least Squares (OPLS) models, specifically comparing OPLS‐DA (assuming sample independence) and OPLS‐EP (
Henrik Antti, Oleksandr Ilchenko
exaly   +3 more sources

APLICAÇÃO DA ESPECTROMETRIA DE MASSAS COM IONIZAÇÃO POR PAPER SPRAY E MÉTODO QUIMIOMÉTRICO OPLS-DA PARA O DIAGNÓSTICO DO CÂNCER DE PRÓSTATA PELA ANÁLISE DE AMOSTRAS DE URINA [PDF]

Química Nova
APPLICATION OF MASS SPECTROMETRY WITH PAPER SPRAY IONIZATION AND THE OPLS-DA CHEMOMETRIC METHOD FOR THE DIAGNOSIS OF PROSTATE CANCER BY ANALYSIS OF URINE SAMPLES.
Thifanny T. P. da Silva, Ademar D. V. Máquina, Anízia F. F. Durans, Lucas G. da Costa, Frederico G. Pinto, Timothy J. Garrett, Waldomiro Borges Neto   +6 more
doaj   +3 more sources