AIMC Topic: Chromatography, Liquid

Clear Filters Showing 11 to 20 of 210 articles

Toward the Development of a Novel Newborn Screening Modality: In-Depth Nontargeted Proteome Analysis of Dried Blood Spots with a Robotic Pipeline Using Low-Cost Iron Powders.

Analytical chemistry
We developed a simple protein extraction method for dried blood spots (DBS) that potentially meets the throughput required for newborn screening (NBS) and optimizes nontargeted proteomic analysis in combination with liquid chromatography coupled mass...

Computationally unmasking each fatty acyl C=C position in complex lipids by routine LC-MS/MS lipidomics.

Nature communications
Identifying carbon-carbon double bond (C=C) positions in complex lipids is essential for elucidating physiological and pathological processes. Currently, this is impossible in high-throughput analyses of native lipids without specialized instrumentat...

A hybrid supervised and unsupervised machine learning approach for identifying nucleoside drugs using nanopore readouts.

Nanoscale
Nucleoside drugs, mimics of natural nucleosides, have become cornerstone treatments in clinical approaches to combat cancer and viral infections. The analysis of nucleoside drugs is commonly performed using liquid chromatography-tandem mass spectrome...

Application of metabolomics and MCDM approach in developing a novel strategy for disease diagnosis: A case study in Primary Sjögren's Syndrome.

Journal of pharmaceutical and biomedical analysis
Primary Sjögren's Syndrome (pSS) is a complex autoimmune disease with an unclear etiology. Due to the lack of a single diagnostic gold standard, multidisciplinary and invasive examinations are often required for pSS, underscoring the urgent need for ...

Evaluation of the False Discovery Rate in Library-Free Search by DIA-NN Using Human Proteome.

Journal of proteome research
Recently, deep-learning-based spectral libraries have gained increasing attention. Several data-independent acquisition (DIA) software tools have integrated this feature, known as a library-free search, thereby making DIA analysis more accessible. H...

Machine Learning-Based Retention Time Prediction Tool for Routine LC-MS Data Analysis.

Journal of chemical information and modeling
Accurate retention time () prediction models can significantly improve liquid chromatography-mass spectrometry (LC-MS) data analysis widely used in chemical synthesis. As hundreds of thousands of syntheses are performed annually at Enamine, a large a...

Measurement and prediction of small molecule retention by Gram-negative bacteria based on a large-scale LC/MS screen.

Scientific reports
The challenge of assessing intracellular accumulation represents a major hurdle to the discovery of new antibiotics with Gram-negative activity. To address this, a high-throughput assay was developed to measure compound uptake and retention in Escher...

MAMSI: Integration of Multiassay Liquid Chromatography-Mass Spectrometry Metabolomics Data Using Multiview Machine Learning.

Analytical chemistry
Liquid chromatography-mass spectrometry (LC-MS) is a commonly used analytical technique in untargeted metabolomics. However, the diverse chemical and physical properties of metabolites often require the use of several different analytical assays for ...

Ranking of apparent drug affinity to mesoporous silica utilizing a chromatographic screening method and a tree-based prediction model.

International journal of pharmaceutics
Mesoporous silica has emerged as a promising component in bio-enabling formulation strategy. However, there is currently a lack of predictive tools for assessing drug-silica interactions in a preformulation phase, when formulators only have minimal m...

Enrichment of extracellular vesicles using Mag-Net for the analysis of the plasma proteome.

Nature communications
Extracellular vesicles (EVs) in plasma are composed of exosomes, microvesicles, and apoptotic bodies. We report a plasma EV enrichment strategy using magnetic beads called Mag-Net. Proteomic interrogation of this plasma EV fraction enables the detect...