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Background: Morocco is an important world producer and consumer of several varieties of date palm. In fact, the discrimination between varieties remains difficult and requires the use of complex and high-cost techniques.
Objective: We evaluated in this work the potential of mid-IR (MIR) spectroscopy and chemometric models to discriminate eight date palm varieties.
Method: Four chemometric models were applied for the analysis of the spectral data, including principal-component analysis (PCA), support-vector machine discriminant analysis (SVM-DA), linear discriminant analysis (LDA), and partial-least-squares (PLS) analysis. MIR spectroscopic data were recorded from the wavenumber range 4000-600 cm-1, with a spectral resolution of 4 cm-1.
Results: The discriminant analysis was performed by LDA and SVM-DA with a 100% correct classification rate for the date mesocarp. PLS analysis was applied as a complementary chemometric tool aimed at quantifying moisture content; the validation of this model shows a good predictive capacity with a regression coefficient of 84% and a root-mean-square error of cross-validation of 0.50.
Conclusions: The present study clearly demonstrates that MIR spectroscopy combined with chemometric approaches constitutes a promising analytical method to classify date palms according to their varietal origin and to establish a regression model for predicting moisture content.
Highlights: An alternative analytical method to discriminate date palm cultivars by FTIR-attenuated total reflection spectroscopy coupled with chemometric approaches is described.
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http://dx.doi.org/10.1093/jaoacint/qsab068 | DOI Listing |
Food Chem
September 2025
Group of Chemical Analysis and Chemometrics, Department of Chemistry, Federal University of Paraná, P.O. Box: 19032, Curitiba, PR 81531-980, Brazil. Electronic address:
Yerba mate, a key crop in South America, is prized for its pleasant taste and high organoleptic quality, often linked to lower branch content. To quantify branch content and authenticate high-quality samples (less than 30 % m/m branch content), a Chemometrics-assisted Color Histogram-based Analytical System (CACHAS) was employed. Using Hue-Saturation-Value (HSV) histograms, Partial Least Squares (PLS) demonstrated excellent predictive performance, achieving a root mean square error (RMSEP) of 4.
View Article and Find Full Text PDFTalanta
September 2025
State Key Laboratory of Chemistry for NBC Hazards Protection, 102205, Beijing, China. Electronic address:
Organophosphorus nerve agents (OPNAs), including G-agents, EGA (ethyltabun, phosphonamidic acid, P-cyano-N,N-diethyl-, ethyl ester) and V-agents, VM (O-ethyl S-(2-diethylaminoethyl) phosphonothiolate), are highly toxic chemical warfare agents (CWAs) with severe risks to human health and environmental security. This study proposes a chemometric-driven framework for forensic tracing of their synthetic pathways using high-resolution GC × GC-TOFMS. By integrating advanced statistical analysis, we identified 160 synthesis-associated chemical attribution signatures (CAS) for EGA and 138 process-specific CAS for VM, with 11 overlapping markers, including ethoxyphosphates and diethylaminoethylamine derivatives.
View Article and Find Full Text PDFAnal Methods
September 2025
Department of Pharmacy, Kunshan Hospital of Integrated Traditional Chinese and Western Medicine, Suzhou, 215332, China.
(GR) is primarily produced in Laiyang and Chifeng. It is a functional food with therapeutic and health-promoting effects due to its antioxidant and anti-inflammatory properties. However, the current standards only stipulate authentication criteria, without establishing a comprehensive evaluation framework to systematically enhance the quality control of GR.
View Article and Find Full Text PDFEur J Pharm Biopharm
September 2025
Research Center Pharmaceutical Engineering GmbH, Inffeldgasse 13, 8010 Graz, Austria; University of Graz, Institute of Pharmaceutical Sciences, Department of Pharmaceutical, Technology and Biopharmacy, Graz, Austria. Electronic address:
Lipid-based formulations have been successfully applied to improve the aqueous solubility of active pharmaceutical ingredients (APIs), however, with the bottleneck of limited wettability of the system. In this study, a lipid-based system was developed using polyglycerol ester of fatty acids (PGFA) as the main component and hexaglycerol (PG6) as a wetting agent. Felodipine, a BCS class II compound was selected as a model API.
View Article and Find Full Text PDFFront Bioeng Biotechnol
August 2025
Institute of Process Engineering in Life Sciences, Section IV: Biomolecular Separation Engineering, Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany.
Spectroscopic soft sensors are developed by combining spectral data with chemometric modeling, and offer as Process Analytical Technology (PAT) tools powerful insights into biopharmaceutical processing. In this study, soft sensors based on Raman spectroscopy and linear or partial least squares (PLS) regression were developed and successfully transferred to a filtration-based recovery step of precipitated virus-like particles (VLPs). For near real-time monitoring of product accumulation and precipitant depletion, the dual-stage cross-flow filtration (CFF) set-up was equipped with an on-line loop in the second membrane stage.
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