#METABOLOMICS WORKBENCH engelmab_20231220_034340 DATATRACK_ID:4544 STUDY_ID:ST003034 ANALYSIS_ID:AN004975 PROJECT_ID:PR001887 VERSION 1 CREATED_ON January 5, 2024, 9:51 am #PROJECT PR:PROJECT_TITLE Short chain fatty acid (SCFA) analysis in a bioreactor model system exposed to PR:PROJECT_TITLE PFAS and bisphenols. PR:PROJECT_SUMMARY An in vitro bioreactor model system based on the simplified human microbiome PR:PROJECT_SUMMARY model (SIHUMIx) was used to investigate the direct effects of either PR:PROJECT_SUMMARY perfluorooctanoic acid (PFOA), perfluorohexanoic acid (PFHxA) and PR:PROJECT_SUMMARY perfluorobutanoic acid (PFBA) or bisphenol S (BPS) and bisphenol F (BPF) or a PR:PROJECT_SUMMARY combined mixture on the microbiota. PR:INSTITUTE Helmholtz Centre for Environmental Research PR:DEPARTMENT Molecular Systems Biology PR:LAST_NAME Engelmann PR:FIRST_NAME Beatrice PR:ADDRESS Permoserstraße 15, Leipzipg, Saxony, 03418, Germany PR:EMAIL beatrice.engelmann@ufz.de PR:PHONE 004934160251099 #STUDY ST:STUDY_TITLE Short chain fatty acid (SCFA) analysis in a bioreactor model system exposed to ST:STUDY_TITLE PFAS and bisphenols. ST:STUDY_SUMMARY An in vitro bioreactor model system based on the simplified human microbiome ST:STUDY_SUMMARY model (SIHUMIx) was used to investigate the direct effects of either ST:STUDY_SUMMARY perfluorooctanoic acid (PFOA), perfluorohexanoic acid (PFHxA) and ST:STUDY_SUMMARY perfluorobutanoic acid (PFBA) or bisphenol S (BPS) and bisphenol F (BPF) or a ST:STUDY_SUMMARY combined mixture on the microbiota. To determine any changes in the main ST:STUDY_SUMMARY fermentation products of the bacterial cultures three short chain fatty acids ST:STUDY_SUMMARY (SCFAs) were analyzed, namely acetate butyrate and propionate. Only the PFAS ST:STUDY_SUMMARY exposed cultures showed a significant increase in the concentrations of acetate ST:STUDY_SUMMARY (KW-test P= 0.0431) and butyrate (KW-test P= 0.0158) during exposure. In none of ST:STUDY_SUMMARY the exposure cultures nor in the control did the concentration of propionate ST:STUDY_SUMMARY change significantly. ST:INSTITUTE Helmholtz Centre for Environmental Research ST:DEPARTMENT Molecular Systems Biology ST:LAST_NAME Engelmann ST:FIRST_NAME Beatrice ST:ADDRESS Permoserstraße 15, Leipzipg, Saxony, 03418, Germany ST:EMAIL beatrice.engelmann@ufz.de ST:PHONE 004934160251099 #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN Mix of various bacteria strains #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1_1A Day:day1 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_1B Day:day1 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_1C Day:day1 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_1D Day:day1 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_1E Day:day1 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_1F Day:day1 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_2A Day:day1 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_2B Day:day1 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_2C Day:day1 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_2D Day:day1 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_2E Day:day1 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 1_2F Day:day1 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_1A Day:day13 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_1B Day:day13 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_1C Day:day13 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_1D Day:day13 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_1E Day:day13 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_1F Day:day13 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_2A Day:day13 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_2B Day:day13 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_2C Day:day13 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_2D Day:day13 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_2E Day:day13 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 13_2F Day:day13 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_1A Day:day15 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_1B Day:day15 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_1C Day:day15 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_1D Day:day15 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_1E Day:day15 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_1F Day:day15 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_2A Day:day15 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_2B Day:day15 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_2C Day:day15 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_2D Day:day15 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_2E Day:day15 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 15_2F Day:day15 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_1A Day:day16 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_1B Day:day16 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_1C Day:day16 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_1D Day:day16 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_1E Day:day16 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_1F Day:day16 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_2A Day:day16 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_2B Day:day16 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_2C Day:day16 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_2D Day:day16 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_2E Day:day16 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 16_2F Day:day16 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_1A Day:day18 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_1B Day:day18 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_1C Day:day18 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_1D Day:day18 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_1E Day:day18 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_1F Day:day18 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_2A Day:day18 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_2B Day:day18 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_2C Day:day18 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_2D Day:day18 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_2E Day:day18 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 18_2F Day:day18 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_1A Day:day23 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_1B Day:day23 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_1C Day:day23 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_1D Day:day23 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_1E Day:day23 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_1F Day:day23 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_2A Day:day23 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_2B Day:day23 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_2C Day:day23 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_2D Day:day23 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_2E Day:day23 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 23_2F Day:day23 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_1A Day:day8 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_1B Day:day8 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_1C Day:day8 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_1D Day:day8 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_1E Day:day8 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_1F Day:day8 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_2A Day:day8 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_2B Day:day8 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_2C Day:day8 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_2D Day:day8 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_2E Day:day8 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 8_2F Day:day8 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_1A Day:day9 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_1B Day:day9 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_1C Day:day9 | Treatment:control RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_1D Day:day9 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_1E Day:day9 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_1F Day:day9 | Treatment:bisphenols RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_2A Day:day9 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_2B Day:day9 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_2C Day:day9 | Treatment:PFAS RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_2D Day:day9 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_2E Day:day9 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff SUBJECT_SAMPLE_FACTORS - 9_2F Day:day9 | Treatment:Mix RAW_FILE_NAME=20210607_Alix_BR_PFAS_SIHUMI_BISPHENOLS_1v1000.wiff #COLLECTION CO:COLLECTION_SUMMARY Samples were taken at specific days (day 1, 8, 9, 13, 15, 16, 18,23) from the CO:COLLECTION_SUMMARY bioreactors under unaerobic conditions. Two ml of culture per reactor were CO:COLLECTION_SUMMARY centrifuged at 5000 × g at 4 °C for 10 min. The supernatant was transferred to CO:COLLECTION_SUMMARY a separate tube for metabolite measurements. CO:SAMPLE_TYPE Bacterial Supernatant #TREATMENT TR:TREATMENT_SUMMARY We tested three chemical conditions: (1) PFOA, PFHxA and PFBA; (2) BPF and BPS; TR:TREATMENT_SUMMARY (3) A mix of our PFAS and BPX stocks, hereafter termed as Mix. Control reactors TR:TREATMENT_SUMMARY were treated with ethanol alone. Exposure started from day 9. All treatments TR:TREATMENT_SUMMARY were directly added into the bioreactor vessel via an inoculation port. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In brief, 20 µl of each sample was mixed with ACN to a final concentration of SP:SAMPLEPREP_SUMMARY 50 %. SCFAs were derivatized with 200 mM 3-nitrophenylhydrazine and 120 mM SP:SAMPLEPREP_SUMMARY N-(3-dimethylaminopropyl)-N-ethylcarbodiimide hydrochloride in pyridine and then SP:SAMPLEPREP_SUMMARY diluted in 10 % ACN. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 RS CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 0.01% formic acid in water CH:SOLVENT_B 0.01% formic acid in ACN CH:FLOW_GRADIENT 0-2min: 15% B, 2-17min: 15-50% B, 17-17.1min: 50-100% B, 17.1-18min: 100% B, CH:FLOW_GRADIENT 18-18.1min: 100-15% B, 18.1-21min: 15% B CH:FLOW_RATE 0.35 ml/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS For identification and quantitation, a scheduled MRM method was used, with MS:MS_COMMENTS specific transitions for every SCFA. Data acquisition and peak integration were MS:MS_COMMENTS performed in Analyst® software (Version 1.6.2). Calculation of concentration MS:MS_COMMENTS was done using external calibration curves and statistics were performed using MS:MS_COMMENTS the R software programme. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS µMol MS_METABOLITE_DATA_START Samples 1_1A 1_1B 1_1C 1_1D 1_1E 1_1F 1_2A 1_2B 1_2C 1_2D 1_2E 1_2F 13_1A 13_1B 13_1C 13_1D 13_1E 13_1F 13_2A 13_2B 13_2C 13_2D 13_2E 13_2F 15_1A 15_1B 15_1C 15_1D 15_1E 15_1F 15_2A 15_2B 15_2C 15_2D 15_2E 15_2F 16_1A 16_1B 16_1C 16_1D 16_1E 16_1F 16_2A 16_2B 16_2C 16_2D 16_2E 16_2F 18_1A 18_1B 18_1C 18_1D 18_1E 18_1F 18_2A 18_2B 18_2C 18_2D 18_2E 18_2F 23_1A 23_1B 23_1C 23_1D 23_1E 23_1F 23_2A 23_2B 23_2C 23_2D 23_2E 23_2F 8_1A 8_1B 8_1C 8_1D 8_1E 8_1F 8_2A 8_2B 8_2C 8_2D 8_2E 8_2F 9_1A 9_1B 9_1C 9_1D 9_1E 9_1F 9_2A 9_2B 9_2C 9_2D 9_2E 9_2F Factors Day:day1 | Treatment:control Day:day1 | Treatment:control Day:day1 | Treatment:control Day:day1 | Treatment:bisphenols Day:day1 | Treatment:bisphenols Day:day1 | Treatment:bisphenols Day:day1 | Treatment:PFAS Day:day1 | Treatment:PFAS Day:day1 | Treatment:PFAS Day:day1 | Treatment:Mix Day:day1 | Treatment:Mix Day:day1 | Treatment:Mix Day:day13 | Treatment:control Day:day13 | Treatment:control Day:day13 | Treatment:control Day:day13 | Treatment:bisphenols Day:day13 | Treatment:bisphenols Day:day13 | Treatment:bisphenols Day:day13 | Treatment:PFAS Day:day13 | Treatment:PFAS Day:day13 | Treatment:PFAS Day:day13 | Treatment:Mix Day:day13 | Treatment:Mix Day:day13 | Treatment:Mix Day:day15 | Treatment:control Day:day15 | Treatment:control Day:day15 | Treatment:control Day:day15 | Treatment:bisphenols Day:day15 | Treatment:bisphenols Day:day15 | Treatment:bisphenols Day:day15 | Treatment:PFAS Day:day15 | Treatment:PFAS Day:day15 | Treatment:PFAS Day:day15 | Treatment:Mix Day:day15 | Treatment:Mix Day:day15 | Treatment:Mix Day:day16 | Treatment:control Day:day16 | Treatment:control Day:day16 | Treatment:control Day:day16 | Treatment:bisphenols Day:day16 | Treatment:bisphenols Day:day16 | Treatment:bisphenols Day:day16 | Treatment:PFAS Day:day16 | Treatment:PFAS Day:day16 | Treatment:PFAS Day:day16 | Treatment:Mix Day:day16 | Treatment:Mix Day:day16 | Treatment:Mix Day:day18 | Treatment:control Day:day18 | Treatment:control Day:day18 | Treatment:control Day:day18 | Treatment:bisphenols Day:day18 | Treatment:bisphenols Day:day18 | Treatment:bisphenols Day:day18 | Treatment:PFAS Day:day18 | Treatment:PFAS Day:day18 | Treatment:PFAS Day:day18 | Treatment:Mix Day:day18 | Treatment:Mix Day:day18 | Treatment:Mix Day:day23 | Treatment:control Day:day23 | Treatment:control Day:day23 | Treatment:control Day:day23 | Treatment:bisphenols Day:day23 | Treatment:bisphenols Day:day23 | Treatment:bisphenols Day:day23 | Treatment:PFAS Day:day23 | Treatment:PFAS Day:day23 | Treatment:PFAS Day:day23 | Treatment:Mix Day:day23 | Treatment:Mix Day:day23 | Treatment:Mix Day:day8 | Treatment:control Day:day8 | Treatment:control Day:day8 | Treatment:control Day:day8 | Treatment:bisphenols Day:day8 | Treatment:bisphenols Day:day8 | Treatment:bisphenols Day:day8 | Treatment:PFAS Day:day8 | Treatment:PFAS Day:day8 | Treatment:PFAS Day:day8 | Treatment:Mix Day:day8 | Treatment:Mix Day:day8 | Treatment:Mix Day:day9 | Treatment:control Day:day9 | Treatment:control Day:day9 | Treatment:control Day:day9 | Treatment:bisphenols Day:day9 | Treatment:bisphenols Day:day9 | Treatment:bisphenols Day:day9 | Treatment:PFAS Day:day9 | Treatment:PFAS Day:day9 | Treatment:PFAS Day:day9 | Treatment:Mix Day:day9 | Treatment:Mix Day:day9 | Treatment:Mix Acetate 5654.878177 5944.81729 5944.81729 5896.494105 5654.878177 5654.878177 5364.939064 5703.201363 5703.201363 5703.201363 5364.939064 5848.170919 4582.10346 4881.70721 4833.384024 4499.954045 4707.743742 4785.060839 4630.426645 4881.70721 4780.22852 4765.731565 4514.451 4727.073016 4775.396202 4978.353581 4296.996666 4625.594327 5171.646323 4833.384024 4567.606504 4978.353581 5364.939064 5461.585435 4432.301585 4586.935778 4930.030395 4717.408379 4722.240698 4620.762008 5268.292694 4833.384024 4881.70721 5316.615879 5123.323137 5026.676766 4765.731565 4717.408379 4930.030395 4930.030395 4881.70721 4698.079105 4833.384024 4881.70721 4640.091282 4978.353581 5123.323137 4881.70721 4562.774186 4930.030395 5074.999952 4930.030395 4833.384024 4833.384024 5074.999952 4712.576061 4881.70721 4833.384024 4553.109549 4881.70721 4644.923601 4567.606504 4572.438823 4475.792452 5461.585435 5026.676766 4707.743742 4562.774186 4466.127815 4499.954045 4543.444912 4591.768097 4649.75592 4504.786363 4625.594327 4649.75592 4930.030395 4930.030395 4731.905335 4654.588238 4567.606504 4635.258964 4620.762008 4785.060839 4388.810718 4485.457089 Butyrate 9955.317904 10036.88397 9425.138458 9894.143352 9996.100938 10526.28038 9955.317904 10505.88887 10465.10583 8833.784462 8772.60991 10322.36521 2655.154772 2206.541395 2328.890498 2797.895392 2492.022635 2920.244494 3430.032423 3266.900285 3450.42394 3022.20208 2838.678426 3307.68332 2736.72084 2512.414152 2035.252651 3144.551183 2390.065049 3042.593597 3348.466354 3042.593597 6794.632749 6672.283646 2716.329323 3287.291803 2838.678426 3328.074837 2471.631117 3695.122145 2593.98022 3185.334217 3735.905179 3226.117251 3430.032423 3246.508768 3103.768148 3246.508768 2859.069943 3491.206974 2879.46146 4021.386419 2471.631117 3287.291803 3001.810563 3001.810563 3022.20208 2532.805669 2512.414152 3328.074837 2308.49898 2736.72084 2757.112357 3389.249388 2899.852977 2859.069943 2818.286909 2655.154772 2961.027529 2899.852977 2655.154772 3552.381525 2390.065049 2247.324429 5040.962276 4918.613173 2308.49898 2553.197186 3164.9427 3042.593597 3164.9427 2797.895392 2736.72084 3022.20208 2288.107463 2247.324429 2675.546289 3042.593597 2430.848083 2675.546289 3022.20208 3226.117251 3287.291803 2818.286909 2492.022635 2981.419046 Propionate 2044.59987 2218.098026 2228.941661 2160.265308 2189.181667 2091.588954 1845.799899 1961.465337 2015.68351 2026.527145 1748.207186 1842.185354 5662.759344 5192.868503 5373.595749 5012.141256 5662.759344 5409.741199 5445.886648 5301.304851 5554.322996 5482.032097 4867.559459 5265.159401 5771.195691 5409.741199 5084.432155 5337.4503 5843.48659 5843.48659 5590.468445 5445.886648 4614.541314 4939.850358 4831.41401 5120.577604 5626.613894 5048.286706 5482.032097 5518.177546 5662.759344 5518.177546 5626.613894 5482.032097 5265.159401 5265.159401 4759.123111 5120.577604 5518.177546 5373.595749 5554.322996 5590.468445 5156.723054 5518.177546 5156.723054 5662.759344 5662.759344 5229.013952 4361.523169 5445.886648 5698.904793 5662.759344 5698.904793 5698.904793 5626.613894 5301.304851 5843.48659 5590.468445 5662.759344 5518.177546 4578.395865 5662.759344 5409.741199 5229.013952 5084.432155 4650.686764 5590.468445 5084.432155 5301.304851 5048.286706 5084.432155 5120.577604 4867.559459 5012.141256 5554.322996 5301.304851 5445.886648 5337.4503 5265.159401 5337.4503 5192.868503 5012.141256 5120.577604 5337.4503 4253.086821 4867.559459 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name m/z KEGG Pubchem Identifier Acetate 194 C00033 3335 Butyrate 222 C00246 3545 Propionate 208 C00163 3463 METABOLITES_END #END