98%
921
2 minutes
20
In this review, recent advances and applications using multi-way calibration protocols based on the processing of multi-dimensional chromatographic data are discussed. We first describe the various modes in which multi-way chromatographic data sets can be generated, including some important characteristics that should be taken into account for the selection of an adequate data processing model. We then discuss the different manners in which the collected instrumental data can be arranged, and the most usually applied models and algorithms for the decomposition of the data arrays. The latter activity leads to the estimation of surrogate variables (scores), useful for analyte quantitation in the presence of uncalibrated interferences, achieving the second-order advantage. Recent experimental reports based on multi-way liquid and gas chromatographic data are then reviewed. Finally, analytical figures of merit that should always accompany quantitative calibration reports are described.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8588563 | PMC |
http://dx.doi.org/10.3390/molecules26216357 | DOI Listing |
Bioanalysis
September 2025
GSK, Precision Medicine Design Assurance, Stevenage, UK.
The International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use M10 guideline provides a global framework for bioanalytical method validation in studies intended for regulatory submission. While its structure ensures consistency and data reliability, the guideline also acknowledges that not all studies require the same level of validation. This paper examines where full compliance is essential and where scientific judgment allows for leaner, context-driven validation, such as in early-stage development, for additional matrices, metabolites, nonstandard biological matrices or studies intended for internal decision-making.
View Article and Find Full Text PDFJ Chromatogr A
August 2025
Department of Analytical Chemistry, Faculty of Chemistry, Universitat de València, Avda. Vicent Andrés Estellés s/n, 46100 Burjassot, Spain.
Liquid chromatography has advanced considerably since its introduction in the 1970s, with reversed-phase liquid chromatography (RPLC) becoming the dominant technique for separating non-volatile molecules. A key strategy for optimising separation conditions is the modelling of chromatographic retention from experimental data. Traditionally, this is achieved by fitting model parameters for each solute, resulting in individual solute models (ISMs).
View Article and Find Full Text PDFJ Chromatogr A
September 2025
Agro-Food Technology and Quality Laboratory, Regional Center of Agricultural Research of Meknes, National Institute of Agricultural Research, Rabat, Morocco. Electronic address:
The composition of the injection solvent is a critical, yet often underestimated, parameter in liquid chromatography-tandem mass spectrometry (LC-MS/MS). This study systematically evaluates the influence of injection solvent on the analysis of 90 pesticides by comparing mixtures of acetonitrile (ACN) with water and buffered mobile phase A (5 mM ammonium formate, 0.1% formic acid) across various ratios (10/90 to 50/50, v/v).
View Article and Find Full Text PDFDrug Metab Dispos
August 2025
Translational Medicine and Clinical Pharmacology, Bristol-Myers Squibb, Princeton, New Jersey.
1β-Hydroxydeoxycholic acid (1β-OH DCA) in plasma has been shown to be a promising biomarker to assess drug-drug interaction (DDI) with a strong CYP3A inducer or a strong CYP3A inhibitor. The changes in total 1β-OH DCA (sum of 1β-OH DCA, 1β-OH glycine deoxycholic acid, and 1β-OH taurine deoxycholic acid equivalents) were more significant than those observed from 4β-hydroxycholesterol, which has been limited to the identification of CYP3A inducers, not CYP3A inhibitors. The significant reduction in total 1β-OH DCA in response to strong CYP3A inhibitors led us to further explore its utility as a biomarker for DDI with moderate CYP3A inhibitors.
View Article and Find Full Text PDFMol Psychiatry
September 2025
Department of Neurology, Zhongshan Hospital of Xiamen University, and Fujian Provincial Key Laboratory of Neurodegenerative Disease and Aging Research, Institute of Neuroscience, School of Medicine, Xiamen University, Xiamen, Fujian, 361102, China.
Atrophy of the subiculum is the earliest hippocampal anatomical marker of Alzheimer's disease (AD) and is closely associated with early cognitive decline. However, the underlying mechanisms driving this vulnerability remain unclear. In this study, using the 5×FAD mouse model, we identified significant amyloid-beta (Aβ) accumulation in the subiculum during the early stages of AD.
View Article and Find Full Text PDF