AIMC Topic: Mass Spectrometry

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Towards enhanced metabolomic data analysis of mass spectrometry image: Multivariate Curve Resolution and Machine Learning.

Analytica chimica acta
Large amounts of data are generally produced from mass spectrometry imaging (MSI) experiments in obtaining the molecular and spatial information of biological samples. Traditionally, MS images are constructed using manually selected ions, and it is v...

Identification of candidate serum biomarkers of childhood-onset growth hormone deficiency using SWATH-MS and feature selection.

Journal of proteomics
UNLABELLED: A typical clinical manifestation of growth hormone deficiency (GHD) is a short stature resulting from delayed growth, but GHD affects bone health, cardiovascular function and metabolic profile and therefore quality of life. Although early...

2-methyl butyramide, a previously identified urine biomarker for Ascaris lumbricoides, is not present in infected Indonesian individuals.

Parasites & vectors
UNLABELLED: ᅟ: Previous reports suggest that the 2-methyl butyramide and 2-methyl valeramide metabolites of Ascaris lumbricoides in urine of infected individuals could be considered as urinary biomarkers for active infection. We have developed an LC-...

Design and validation of an automated solid phase extraction liquid chromatography coupled mass spectrometry method for the quantification of propofol in plasma.

Journal of pharmaceutical and biomedical analysis
Propofol concentration in human plasma can be quantified by liquid chromatography coupled mass spectrometry. Sample preparation usually requires solid phase extraction to remove matrix components and enrich the analyte. To facilitate user-independent...

Advancing the large-scale CCS database for metabolomics and lipidomics at the machine-learning era.

Current opinion in chemical biology
Metabolomics and lipidomics aim to comprehensively measure the dynamic changes of all metabolites and lipids that are present in biological systems. The use of ion mobility-mass spectrometry (IM-MS) for metabolomics and lipidomics has facilitated the...

Rapid determination of ultra-trace plutonium isotopes (Pu, Pu and Pu) in small-volume human urine bioassay using sector-field inductively coupled plasma mass spectrometry.

Analytica chimica acta
A rapid method with enhanced U decontamination was developed for ultra-trace Pu analysis in small-volume urine bioassays. This method consists of acid digestion, co-precipitation, extraction chromatography and sector-field inductively coupled plasma ...

Hyperspectral Imaging and Support Vector Machine: A Powerful Combination to Differentiate Black Cohosh (Actaea racemosa) from Other Cohosh Species.

Planta medica
(black cohosh) has a history of traditional use in the treatment of general gynecological problems. However, the plant is known to be vulnerable to adulteration with other cohosh species. This study evaluated the use of shortwave infrared hyperspect...

Development and assessment of a lysophospholipid-based deep learning model to discriminate geographical origins of white rice.

Scientific reports
Geographical origin determination of white rice has become the major issue of food industry. However, there is still lack of a high-throughput method for rapidly and reproducibly differentiating the geographical origins of commercial white rice. In t...

Machine Learning on Signal-to-Noise Ratios Improves Peptide Array Design in SAMDI Mass Spectrometry.

Analytical chemistry
Emerging peptide array technologies are able to profile molecular activities within cell lysates. However, the structural diversity of peptides leads to inherent differences in peptide signal-to-noise ratios (S/N). These complex effects can lead to p...