metabolite assignment  (IROA Technologies LLC)

Journal: PLOS Genetics

Article Title: The intracellular symbiont Wolbachia alters Drosophila development and metabolism to buffer against nutritional stress

doi: 10.1371/journal.pgen.1011905

Figure Lengend Snippet: (A-B) Three-dimensional non-metric multidimensional scaling (NMDS) plots indicating relative similarity of samples within the (A) DGRP-320 and (B) w 145 genotypes. Point size indicates distance from the page, where larger points are closer. (C-F) Volcano plots indicating the relative abundance of specific metabolites in Wolbachia infected larvae relative to uninfected larvae: (C) DGRP-320 L2 larvae reared on 100% media. (D) w 145 L2 larvae reared on 100% media. (E) DGRP-320 L2 larvae reared on 25% media. (F) w 145 L2 larvae reared on 25% media. Metabolites with >2 log 2 fold change (log2FC) and p < 0.1 are indicated, and, for those that met these criteria in >2 conditions (e.g., panels) the metabolite name is in black font rather than grey. “Phosphate” is abbreviated with “PO 4 ”. “AC(#:#)” or “FA(#:#)” refers to acylcarnitines or fatty acids where numbers in parentheses indicate the total number of carbons in the chain, and the number of unsaturated bonds, respectively.

Article Snippet: Metabolite assignments were performed using accurate intact mass (sub-10 ppm), isotopologue distributions, and retention time/spectral comparison to an in-house standard compound library (MSMLS, IROA Technologies, NJ, USA) using El-MAVEN (Elucidata, San Francisco, CA, USA).

Techniques: Infection

Journal: Scientific Reports

Article Title: Exercise induces dynamic changes in intra-articular metabolism and inflammation associated with remodeling of the infrapatellar fat pad in mice

doi: 10.1038/s41598-025-86726-0

Figure Lengend Snippet: Effect of short-term wheel running exercise on synovial fluid metabolites. Synovial fluid was collected from knees of male and female mice following 0, 1, 3, or 5 days of voluntary wheel running exercise and intra-articular injections, as described in Fig. . Samples were analyzed by Metabolon’s Global Metabolomic Profiling Analysis, which identified 202 biochemicals confirmed by authenticated library standards. Peak area data were normalized to extracted volume and then median scaled. ( A ) 2-way hierarchical clustering analysis was used to identify patterns in synovial fluid metabolite abundance across experimental groups. Heatmap color legend signifies standardized metabolite values calculated by subtracting the mean and dividing by the standard deviation. Columns represent mean values per experimental group, and rows represent individual metabolites. Note that 3- and 5-day exercise conditions clustered together in the third and fourth columns. Filled cells in right-hand column indicate metabolites significantly altered by exercise (Generalized Linear Model including exercise, sex, and treatment effects). Green rectangles designate clusters (C1 – C5) with distinct changes in metabolite abundance versus days of exercise. ( B ) Pie chart of relative percent of all detected metabolites categorized by Metabolon’s Metabolic Super Pathway assignment. Numbers in parentheses indicate absolute number of metabolites detected per category. ( C ) Pie charts of cluster-specific metabolite composition based on Metabolic Super Pathway assignments. Donut charts indicate the relative proportion of metabolites within a given cluster that were significantly altered by exercise, biological sex, or treatment ( p < 0.05). Line graphs of metabolites significantly altered by exercise, expressed as abundance fold-change relative to day 0 values (log2) and color coded according to Metabolic Super Pathway (Supplemental Table 7).

Article Snippet: Green rectangles designate clusters (C1 – C5) with distinct changes in metabolite abundance versus days of exercise. ( B ) Pie chart of relative percent of all detected metabolites categorized by Metabolon’s Metabolic Super Pathway assignment.

Techniques: Standard Deviation