AIMC Topic: Tandem Mass Spectrometry
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Enhancement of multianalyte mass spectrometry detection through response surface optimization by least squares and artificial neural network modelling.
Journal of chromatography. A
Oct 10, 2019
In this work, the use of design of experiments and posterior data modelling by artificial neural network (ANN) and least squares (LS) is presented as a suitable analytical tool for the performance optimization of a tandem mass spectrometric detector ...
Uncovering Thousands of New Peptides with Sequence-Mask-Search Hybrid Peptide Sequencing Framework.
Molecular & cellular proteomics : MCP
Oct 7, 2019
Typical analyses of mass spectrometry data only identify amino acid sequences that exist in reference databases. This restricts the possibility of discovering new peptides such as those that contain uncharacterized mutations or originate from unexpec...
Fast and Accurate Bacterial Species Identification in Urine Specimens Using LC-MS/MS Mass Spectrometry and Machine Learning.
Molecular & cellular proteomics : MCP
Oct 4, 2019
Fast identification of microbial species in clinical samples is essential to provide an appropriate antibiotherapy to the patient and reduce the prescription of broad-spectrum antimicrobials leading to antibioresistances. MALDI-TOF-MS technology has ...
Robotic-assisted dynamic large drop microextraction.
Journal of chromatography. A
Aug 11, 2019
By proper design of an innovative extraction device, a lab-made multipurpose autosampler was exploited in the automated performance of the dynamic large drops based microextraction. The pluses of this new analytical strategy were demonstrated in the ...
Serum N-Glycosylation in Parkinson's Disease: A Novel Approach for Potential Alterations.
Molecules (Basel, Switzerland)
Jun 13, 2019
In this study, we present the application of a novel capillary electrophoresis (CE) method in combination with label-free quantitation and support vector machine-based feature selection (support vector machine-estimated recursive feature elimination ...
Prosit: proteome-wide prediction of peptide tandem mass spectra by deep learning.
Nature methods
May 27, 2019
In mass-spectrometry-based proteomics, the identification and quantification of peptides and proteins heavily rely on sequence database searching or spectral library matching. The lack of accurate predictive models for fragment ion intensities impair...
Identification of the lipid-lowering component of triterpenes from Alismatis rhizoma based on the MRM-based characteristic chemical profiles and support vector machine model.
Analytical and bioanalytical chemistry
May 14, 2019
It has been demonstrated that triterpenes in Alismatis rhizoma (Zexie in Chinese, ZX) contributed to the lipid-lowering effect on high-fat diet-induced hyperlipidemia. Alisol B 23-acetate, one of the abundant triterpenes in ZX, was used as the marker...
Biochemical, machine learning and molecular approaches for the differential diagnosis of Mucopolysaccharidoses.
Molecular and cellular biochemistry
Mar 21, 2019
This study was aimed to construct classification and regression tree (CART) model of glycosaminoglycans (GAGs) for the differential diagnosis of Mucopolysaccharidoses (MPS). Two-dimensional electrophoresis and liquid chromatography-tandem mass spectr...
Quantitation of serum 25(OH)D2 and 25(OH)D3 concentrations by liquid chromatography tandem mass spectrometry in patients with diabetes mellitus.
Journal of food and drug analysis
Dec 31, 2018
Vitamin D has been considered to regulate calcium and phosphorus homeostasis and to preserve skeletal integrity. Serum 25-hydroxyvitamin D (25(OH)D) is the best indicator of vitamin D levels. The association of serum 25(OH)D deficiency with increased...
Development and validation of a sensitive method for alkyl sulfonate genotoxic impurities determination in drug substances using gas chromatography coupled to triple quadrupole mass spectrometry.
Journal of pharmaceutical and biomedical analysis
Dec 30, 2018
Alkyl sulfonate esters have been widely concerned as genotoxic impurities (GTIs). A gas chromatography triple-quadrupole mass spectrometry (GC-MS/MS) method has been developed for trace determination of 9 commonly encountered sulfonate esters in drug...
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