AIMC Topic: Chromatography, Liquid
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Enhancing pyrrolizidine alkaloid separation and detection: LC-MS/MS method development and integration of ion mobility spectrometry into the LC-HRMS workflow.
Journal of chromatography. A
May 10, 2025
Pyrrolizidine alkaloids (PAs) are plant toxins occurring in different foodstuffs, including teas, herbal infusions and species. Additionally, PAs may be transferred to honey and pollen when honeybees come into contact with contaminated plants. Due to...
PolyCrit: An Online Collaborative Platform for Polymer Characterization.
Journal of chromatography. A
May 10, 2025
Polymer liquid chromatography at critical conditions (LCCC) is a chromatographic separation condition achieved by carefully balancing the interaction of a polymer with stationary and mobile phases to make the elution time of a polymer in chromatograp...
Reinforcement learning for automated method development in liquid chromatography: insights in the reward scheme and experimental budget selection.
Journal of chromatography. A
May 10, 2025
Chromatographic problem solving, commonly referred to as method development (MD), is hugely complex, given the many operational parameters that must be optimized and their large effect on the elution times of individual sample compounds. Recently, th...
Application of physics-informed neural networks to predict concentration profiles in gradient liquid chromatography.
Journal of chromatography. A
May 10, 2025
Chromatography is one of the key methods in the analysis of mixture compositions, in the testing of chemical purity, as well as in the production of highly pure compounds. For this reason, it finds an important place in many industries. Currently, on...
Benzoyl Chloride Derivatization Coupled With Liquid Chromatography-Mass Spectrometry for the Simultaneous Quantification of Molnupiravir and Its Metabolite β-d-N-hydroxycytidine in Human Plasma.
Journal of separation science
May 1, 2025
A sensitive and efficient method for simultaneous quantifying molnupiravir and its active metabolite β-d-N-hydroxycytidine in human plasma was developed by combining chemical derivatization with liquid chromatography-tandem mass spectrometry. Through...
LC-MS/MS-Based Assay for Steroid Profiling in Peripheral and Adrenal Venous Samples for the Subtyping of Primary Aldosteronism.
Journal of clinical hypertension (Greenwich, Conn.)
May 1, 2025
Given the largely unexplored application of liquid chromatography-tandem mass spectrometry (LC-MS/MS) steroid analysis in primary aldosteronism (PA), we aimed to investigate its diagnostic utility in PA classification and to characterize steroid secr...
Prediction of Anti-rheumatoid Arthritis Natural Products of Xanthocerais Lignum Based on LC-MS and Artificial Intelligence.
Combinatorial chemistry & high throughput screening
Jan 1, 2025
AIMS: Employing the technique of liquid chromatography-mass spectrometry (LCMS) in conjunction with artificial intelligence (AI) technology to predict and screen for antirheumatoid arthritis (RA) active compounds in Xanthocerais lignum.
Deep learning framework for peak detection at the intact level of therapeutic proteins.
Journal of separation science
Jun 1, 2024
While automated peak detection functionalities are available in commercially accessible software, achieving optimal true positive rates frequently necessitates visual inspection and manual adjustments. In the initial phase of this study, hetero-varia...
RT-Transformer: retention time prediction for metabolite annotation to assist in metabolite identification.
Bioinformatics (Oxford, England)
Mar 4, 2024
MOTIVATION: Liquid chromatography retention times prediction can assist in metabolite identification, which is a critical task and challenge in nontargeted metabolomics. However, different chromatographic conditions may result in different retention ...
Deep Learning-Assisted Analysis of Immunopeptidomics Data.
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2024
Liquid chromatography-coupled mass spectrometry (LC-MS/MS) is the primary method to obtain direct evidence for the presentation of disease- or patient-specific human leukocyte antigen (HLA). However, compared to the analysis of tryptic peptides in pr...
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