AIMC Topic: Tandem Mass Spectrometry

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Potential of Proteomics in Forensic Phenotyping: A Focus on Biological Sex Estimation.

Journal of proteome research
Forensic DNA analysis is well established for phenotyping, providing valuable investigative leads. Proteomics, the large-scale study of proteins, is emerging as a complementary tool to DNA analysis, particularly for enhancing the evidential value of ...

Increasing the Scale of the Mass Spectrometry Query Language Compendium with Explainable AI.

Analytical chemistry
A significant bottleneck in metabolomics data interpretation is the effective use of domain knowledge to assign structural information based on fragmentation patterns. The mass spectrometry query language (MassQL) aims to make this process accessible...

LC-MS/MS metabolomics unravels the resistant phenotype of carbapenemase-producing Enterobacterales.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: The degree of antimicrobial resistance demonstrated by carbapenemase-producing Enterobacterales (CPE) represents a growing public health challenge. Conventional methods for detecting CPE involve culture-based techniques with lengthy inc...

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...

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...

Distribution patterns of N6-methyladenine in the rye genome.

Scientific reports
N6-methyladenine (6 mA) has emerged as a potential epigenetic marker in eukaryotic genomes, yet its precise distribution patterns and biological functions in plant genomes are still not fully understood. In this study, we investigated the occurrence,...

Application of MALDI-TOF MS-based peptidome profiling for the identification of Bacillus cereus, Staphylococcus aureus, and Escherichia coli in single and mixed inoculum.

Food chemistry
The detection of mixed-species bacterial samples plays a vital role in ensuring food safety, yet research in this area remains notably limited. This study investigates the integration of MALDI-TOF MS-derived peptidome profiles with artificial intelli...

Deep learning-derived optimal annotation strategies to power the systematic mapping of peptide space.

Food chemistry
Rapid and reliable peptide identification techniques are essential for proteomics. High-resolution tandem mass spectrometry acquires a large amount of data through data-dependent acquisition (DDA) and data-independent acquisition (DIA), but tradition...