Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
Jan 19, 2022
In metabolomics, retention prediction methods have been developed based on the structural and physicochemical characteristics of analytes. Such methods employ regression models, harnessing machine learning algorithms mapping experimentally derived re...
Micropollutants (MPs) released into aquatic ecosystems have adverse effects on public health. Hence, monitoring and managing MPs in aquatic systems are imperative. MPs can be quantified by high-resolution mass spectrometry (HRMS) with stable isotope-...
A new vobasine-tryptamine-based monoterpene indole alkaloid pseudodimer was isolated from the stem bark of . As a minor constituent occurring in a thoroughly investigated plant, this molecule was targeted based on a molecular networking strategy and ...
BACKGROUND: Rapid intraoperative diagnosis for unconfirmed pulmonary tumor is extremely important for determining the optimal surgical procedure (lobectomy or sublobar resection). Attempts to diagnose malignant tumors using mass spectrometry (MS) hav...
Retention time (RT) prediction contributes to identification of small molecules measured by high-performance liquid chromatography coupled with high-resolution mass spectrometry. Deep learning algorithms based on big data can enhance the accuracy of ...
T cells play a crucial role in controlling and driving the immune response with their ability to discriminate peptides derived from healthy as well as pathogenic proteins. In this review, we focus on the currently available computational tools for ep...
Extracting metabolic features from liquid chromatography-mass spectrometry (LC-MS) data relies on the recognition of extracted ion chromatogram (EIC) peak shapes using peak picking algorithms. Unfortunately, all peak picking algorithms present a sign...
The endoprosthetic care of hip and knee joints introduces multiple materials into the human body. Metal containing implant surfaces release degradation products such as particulate wear and corrosion debris, metal-protein complexes, free metallic ion...
Trypsin is one of the most important and widely used proteolytic enzymes in mass spectrometry (MS)-based proteomic research. It exclusively cleaves peptide bonds at the C-terminus of lysine and arginine. However, the cleavage is also affected by seve...
Characterizing the human leukocyte antigen (HLA) bound ligandome by mass spectrometry (MS) holds great promise for developing vaccines and drugs for immune-oncology. Still, the identification of non-tryptic peptides presents substantial computational...
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