Psychological stress is a suggested risk factor of metabolic disorders, but molecular mediators are not well understood. We investigated the association between the metabolic profiles of fasting plasma and the improvement of psychological well-being using non-targeted liquid chromatography-mass spectrometry (LC-MS) platform. The metabolic profiles of volunteers participating in the face-to-face intervention group (n = 60) in a randomised lifestyle intervention were compared to ones of controls (n = 64) between baseline and 36-week follow-up. Despite modest differences in metabolic profile between groups, we found associations between phosphatidylcholines (PCs) and several parameters indicating stress, adiposity, relaxation, and recovery. The relief of heart-rate-variability-based stress had positive, while improved indices of recovery and relaxation in the intervention group had an inverse association with the reduction of e.g. lysophosphatidylcholines (LPC). Interleukin-1 receptor antagonist and adiposity correlated positively with the suppressed PCs and negatively with the elevated plasmalogens PC(P-18:0/22:6) and PC(P-18:0/20:4). Also, we found changes in an unknown class of lipids over time regardless of the intervention groups, which also correlated with physiological and psychological markers of stress. The associations between lipid changes with some markers of psychological wellbeing and body composition may suggest the involvement of these lipids in the shared mechanisms between psychological and metabolic health.www.nature.com/scientificreports www.nature.com/scientificreports/ Study visits. The participants came to the study centres after an overnight fast at baseline (week 0), after the intervention (week 10), and follow-up (week 36), for venous blood sampling and measurement of body composition (body weight, height, body fat percentage, and waist circumference) 19 . Inflammation markers hsCRP, IL-1Ra, and high molecular weight adiponectin (HMW-adiponectin) were measured in the serum samples 19 . Metabolic profiling was performed on plasma samples obtained at the baseline (week 0) and follow-up (week 36) measurement (Fig. 1), comprising 248 samples for metabolomics analysis altogether. Plasma samples were stored at −80 °C until the laboratory procedure.
LC-MS analysis.We used the in-house developed web application, Wranglr (https://github.com/antonvsdata/ wranglr) to automate samples recoding, randomisation, and worklists generation for LC-MS experiments. As the input, Wranglr takes a spreadsheet containing necessary information about the samples such as sample identifier and study group. The output is worklists for LC-MS software containing quality control (QC) and autoMS/MS samples along with a processed spreadsheet containing sample information, injection order, plate positions, data file paths, and other relevant information. Wranglr is implemented in R 3.4.0 32 using the Shiny package version 1.0.3 33 .100 µl sample that has been properly thawed on ice was mixed with 400 µl of LC-MS-grade acetoni...