AIMC Topic: Mass Spectrometry

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Deep learning enables de novo peptide sequencing from data-independent-acquisition mass spectrometry.

Nature methods
We present DeepNovo-DIA, a de novo peptide-sequencing method for data-independent acquisition (DIA) mass spectrometry data. We use neural networks to capture precursor and fragment ions across m/z, retention-time, and intensity dimensions. They are t...

Paper-based immunocapture for targeted protein analysis.

Talanta
A novel sampling concept for mass spectrometric bottom-up targeted protein analysis is here demonstrated with polymeric sampling spots integrated with instant immunocapture for analysis of dried matrix spots. The polymers 2-hydroxyethyl methacrylate-...

Employing fingerprinting of medicinal plants by means of LC-MS and machine learning for species identification task.

Scientific reports
A dataset of liquid chromatography-mass spectrometry measurements of medicinal plant extracts from 74 species was generated and used for training and validating plant species identification algorithms. Various strategies for data handling and feature...

Machine learning combined with non-targeted LC-HRMS analysis for a risk warning system of chemical hazards in drinking water: A proof of concept.

Talanta
Guaranteeing clean drinking water to the global population is becoming more challenging, because of the cases of water scarcity across the globe, growing population, and increased chemical footprint of this population. Existing targeted strategies fo...

Identification of bacteria in juice/lettuce using magnetic nanoparticles and selected reaction monitoring mass spectrometry.

Journal of food and drug analysis
Ensuring food safety requires a rapid and reliable method for detecting food-borne pathogens. Mass spectrometry has been demonstrated as a powerful tool to classify pure bacterial species. However, matrix interference from food backgrounds may lead t...

Pathogen Identification Direct From Polymicrobial Specimens Using Membrane Glycolipids.

Scientific reports
With the increased prevalence of multidrug-resistant Gram-negative bacteria, the use of colistin and other last-line antimicrobials is being revisited clinically. As a result, there has been an emergence of colistin-resistant bacterial species, inclu...

Direct Analysis in Real Time-Mass Spectrometry and Kohonen Artificial Neural Networks for Species Identification of Larva, Pupa and Adult Life Stages of Carrion Insects.

Analytical chemistry
Species determination of the various life stages of flies (Order: Diptera) is challenging, particularly for the immature forms, because analogous life stages of different species are difficult to differentiate based on morphological features alone. I...

Mapping Cellular Polarity Networks Using Mass Spectrometry-based Strategies.

Journal of molecular biology
Cell polarity is a vital biological process involved in the building, maintenance and normal functioning of tissues in invertebrates and vertebrates. Unsurprisingly, molecular defects affecting polarity organization and functions have a strong impact...

Automated Preparation of MS-Sensitive Fluorescently Labeled N-Glycans with a Commercial Pipetting Robot.

SLAS technology
N-Glycan analysis is routinely performed for biotherapeutic protein characterization. A recently introduced N-glycan analysis kit using RapiFluor-MS (RFMS) labeling provides time savings over reductive amination labeling methods while also providing ...