AIMC Topic: Gas Chromatography-Mass Spectrometry

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Identification of Different Steaming Degrees of Panax quinquefolius L. Based on GC-IMS Combined With Machine Learning.

Rapid communications in mass spectrometry : RCM
RATIONALE: Panax quinquefolius L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous stu...

Enhancing beer authentication, quality, and control assessment using non-invasive spectroscopy through bottle and machine learning modeling.

Journal of food science
Fraud in alcoholic beverages through counterfeiting and adulteration is rising, significantly impacting companies economically. This study aimed to develop a method using near-infrared (NIR) spectroscopy (1596-2396 nm) through the bottle, along with ...

Deep learning under mass-to-charge ratio pre-retrieval to realize electron ionization mass spectrometry library retrieval.

Rapid communications in mass spectrometry : RCM
RATIONALE: Gas chromatography-mass spectrometry (GC-MS) is an analytical technique widely used in materials science, biomedicine, and other fields. The target compound in the experiment is identified by searching for its mass spectrum in a large mass...

CRISP: a deep learning architecture for GC × GC-TOFMS contour ROI identification, simulation and analysis in imaging metabolomics.

Briefings in bioinformatics
Two-dimensional gas chromatography-time-of-flight mass spectrometry (GC × GC-TOFMS) provides a large amount of molecular information from biological samples. However, the lack of a comprehensive compound library or customizable bioinformatics tool is...

Machine learning modeling of the effects of media formulated with various yeast extracts on heterologous protein production in Escherichia coli.

MicrobiologyOpen
In microbial manufacturing, yeast extract is an important component of the growth media. The production of heterologous proteins often varies because of the yeast extract composition. To identify why this reduces protein production, the effects of ye...

[Simultaneous determination of four opioids in urine by solid-phase extraction and derivatization coupled with gas chromatography-mass spectrometry].

Se pu = Chinese journal of chromatography
Police officers currently use the colloidal gold rapid testing method to detect heroin in the urine of drug abusers, but the results are often rendered erroneous due to the presence of antitussive drugs, which contain opioids. The traditional manual ...

Volatile constituents and in vitro activity of Syzygium aromaticum flower buds (clove) against human cancer cell lines.

Pakistan journal of pharmaceutical sciences
The methanolic extract (SA-EXT) of Syzygium aromaticum flower buds and its fractions tested against three human cancer cell lines viz uterine cervix (HeLa), breast (MCF-7) and lung NCI (H-460) using sulforhodamine-B assay. The ethyl acetate soluble s...

[Determination of 32 polychlorinated biphenyls in aquatic products by gas chromatography-high-resolution mass spectrometry with accelerated solvent extraction-purification simultaneously coupled to isotope internal standard method].

Se pu = Chinese journal of chromatography
Gas chromatography (GC)-high-resolution mass spectrometry (HRMS) with accelerated solvent extraction (ASE)-purification simultaneously coupled to the isotope internal standard method is proposed for the determination of 32 polychlorinated biphenyls (...

[Determination of polycyclic aromatic hydrocarbon metabolites in urine by liquid-liquid extraction-high resolution gas chromatography-high resolution dual-focus magnetic mass spectrometry].

Se pu = Chinese journal of chromatography
A sensitive and accurate method was developed to quantify eight polycyclic aromatic hydrocarbon (PAH) metabolites in human urine by liquid-liquid extraction-high resolution gas chromatography-high resolution dual-focus magnetic mass spectrometry (LLC...

Application of machine learning algorithms for the differential diagnosis of peroxisomal disorders.

Journal of biochemistry
We have established diagnostic thresholds of very long-chain fatty acids (VLCFA) for the differential diagnosis of peroxisomal disorders using the machine learning tools. The plasma samples of 131 controls and 90 cases were tested for VLCFA using gas...