AIMC Topic: Mass Spectrometry

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Combination of mass spectrometry-based targeted lipidomics and supervised machine learning algorithms in detecting adulterated admixtures of white rice.

Food research international (Ottawa, Ont.)
The mixing of extraneous ingredients with original products is a common adulteration practice in food and herbal medicines. In particular, authenticity of white rice and its corresponding blended products has become a key issue in food industry. Acco...

Detection of lithospermate B in rat plasma at the nanogram level by LC/MS in multi reaction monitoring mode.

Journal of food and drug analysis
Low bioavailability and high binding affinity to plasma proteins led to the difficulty for the quantitative detection of lithospermate B (LSB) in plasma. This study aimed to develop a protocol for detecting LSB in plasma. A method was employed to qua...

Prediction of Collision Cross-Section Values for Small Molecules: Application to Pesticide Residue Analysis.

Analytical chemistry
The use of collision cross-section (CCS) values obtained by ion mobility high-resolution mass spectrometry has added a third dimension (alongside retention time and exact mass) to aid in the identification of compounds. However, its utility is limite...

Systematic analysis of non-structural protein features for the prediction of PTM function potential by artificial neural networks.

PloS one
Post-translational modifications (PTMs) provide an extensible framework for regulation of protein behavior beyond the diversity represented within the genome alone. While the rate of identification of PTMs has rapidly increased in recent years, our k...

Parts-per-trillion detection of harmala alkaloids in Undaria pinnatifida algae by on-line solid phase extraction capillary electrophoresis mass spectrometry.

Analytica chimica acta
β-carboline alkaloids of the harmala group (HAlks)-a family of compounds with pharmacologic effects-can be found at trace levels (<25 μg kg algae) in the edible invasive algae Undaria pinnatifida, known commonly as wakame. In this study, we present a...

Rapid quantitation of avenanthramides in oat-containing products by high-performance liquid chromatography coupled with triple quadrupole mass spectrometry (HPLC-TQMS).

Food chemistry
Avenanthramides (AVNs) are a family of nitrogen-containing phenolic compounds produced in oat; AVN 2c, 2p, and 2f are the three major members. An LC-MS/MS method was developed, with the limit of detection (LOD) and the limit of quantitation (LOQ) bei...

A robotic protocol for high-throughput processing of samples for selected reaction monitoring assays.

Proteomics
Selected reaction monitoring mass spectrometry (SRM-MS) is a sensitive and accurate method for the quantification of targeted proteins in biological specimens. However, the sample throughput and reliability of this technique is limited by the complex...

A Mass Spectrometric Analysis Method Based on PPCA and SVM for Early Detection of Ovarian Cancer.

Computational and mathematical methods in medicine
Background. Surfaced-enhanced laser desorption-ionization-time of flight mass spectrometry (SELDI-TOF-MS) technology plays an important role in the early diagnosis of ovarian cancer. However, the raw MS data is highly dimensional and redundant. There...

Predicting the Presence of Uncommon Elements in Unknown Biomolecules from Isotope Patterns.

Analytical chemistry
The determination of the molecular formula is one of the earliest and most important steps when investigating the chemical nature of an unknown compound. Common approaches use the isotopic pattern of a compound measured using mass spectrometry. Compu...

Multivariate Calibration Approach for Quantitative Determination of Cell-Line Cross Contamination by Intact Cell Mass Spectrometry and Artificial Neural Networks.

PloS one
Cross-contamination of eukaryotic cell lines used in biomedical research represents a highly relevant problem. Analysis of repetitive DNA sequences, such as Short Tandem Repeats (STR), or Simple Sequence Repeats (SSR), is a widely accepted, simple, a...