Machine learning liquid chromatography retention time prediction model augments the dansylation strategy for metabolite analysis of urine samples.

Herein, a standalone software equipped with a graphic user interface (GUI) is developed to predict liquid chromatography mass spectrometry (LC-MS) retention times (RTs) of dansylated metabolites. Dansylation metabolomics strategy developed by Li et al. narrows down a vast chemical space of metabolites into the metabolites containing amines and phenolic hydroxyls.

Photo-Oxidative Protection of Chlorophyll in C-Phycocyanin Aqueous Medium.

In this study, potential protection of chlorophyll from illumination and oxidation-induced decomposition has been examined using C-phycocyanin (C-PC) aqueous medium. Photo-oxidation resistance of chlorophyll was monitored in various aqueous media using ultraviolet-visible spectroscopy and direct-infusion atmospheric pressure chemical ionization mass spectrometry analysis. The spectroscopy results showed that chlorophyll in C-PC medium experienced the lowest rate of conversion to its derivatives; thus, it was demonstrated that chlorophyll was mostly intact in the C-PC medium.