{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001406","ANALYSIS_ID":"AN002349","VERSION":"1","CREATED_ON":"June 22, 2020, 7:12 pm"},

"PROJECT":{"PROJECT_TITLE":"Environmental chemical burden in metabolic tissues and systemic biological pathways in adolescent bariatric surgery patients: A pilot untargeted metabolomic approach","PROJECT_TYPE":"Pilot Study","PROJECT_SUMMARY":"Background: Advances in untargeted metabolomic technologies have great potential for insight into adverse metabolic effects underlying exposure to environmental chemicals. However, important challenges need to be addressed, including how biological response corresponds to the environmental chemical burden in different target tissues. Aim: We performed a pilot study using state-of-the-art ultra-high-resolution mass spectrometry (UHRMS) to characterize the burden of lipophilic persistent organic pollutants (POPs) in metabolic tissues and associated alterations in the plasma metabolome. Methods: We studied 11 adolescents with severe obesity at the time of bariatric surgery. We measured 18 POPs that can act as endocrine and metabolic disruptors (i.e. 2 dioxins, 11 organochlorine compounds [OCs] and 5 polybrominated diphenyl ethers [PBDEs]) in visceral and subcutaneous abdominal adipose tissue (vAT and sAT), and liver samples using gas chromatography with UHRMS. Biological pathways were evaluated by measuring the plasma metabolome using high-resolution metabolomics. Network and pathway enrichment analysis assessed correlations between the tissue-specific burden of three frequently detected POPs (i.e. p,p’-dichlorodiphenyldichloroethene [DDE], hexachlorobenzene [HCB] and PBDE-47) and plasma metabolic pathways. Results: Concentrations of 4 OCs and 3 PBDEs were quantifiable in at least one metabolic tissue for >80% of participants. All POPs had the highest median concentrations in adipose tissue, especially sAT, except for PBDE-154, which had comparable average concentrations across all tissues. Pathway analysis showed high correlations between tissue-specific POPs and metabolic alterations in pathways of amino acid metabolism, lipid and fatty acid metabolism, and carbohydrate metabolism. Conclusions: Most of the measured POPs appear to accumulate preferentially in adipose tissue compared to liver. Findings of plasma metabolic pathways potentially associated with tissue-specific POPs concentrations merit further investigation in larger populations. Keywords: persistent organic pollutants, adipose tissue, liver, bariatric surgery, exposome, high-resolution metabolomics","INSTITUTE":"Icahn School of Medicine at Mount Sinai","DEPARTMENT":"Environmental Medicine and Public Health","LABORATORY":"High Resolution Exposomics Research Group","LAST_NAME":"Walker","FIRST_NAME":"Douglas","ADDRESS":"One Gustave L. Levy Place, Box 1057, New York, NY 10029","EMAIL":"douglas.walker@mssm.edu","PHONE":"212-241-9891","FUNDING_SOURCE":"NIEHS: R21ES028903, R21ES029328, R21ES029681, R01ES029944, R01ES030364, U2CES026561, U2CES030163, P30ES023515, P30 ES019776, P30ES007048, P01ES022845, R01ES024946; EPA: RD-83544101","PUBLICATIONS":"Valvi D, Walker DI, Inge T, Bartell SM, Jenkins T, Helmrath M, Ziegler TR, La Merrill MA, Eckel SP, Conti D, Liang Y, Jones DP, McConnell R, Chatzi L. (2020). Environmental chemical burden in metabolic tissues and systemic biological pathways in adolescent bariatric surgery patients: A pilot untargeted metabolomic approach. Environment International. In Press.","CONTRIBUTORS":"Valvi D, Walker DI, Inge T, Bartell SM, Jenkins T, Helmrath M, Ziegler TR, La Merrill MA, Eckel SP, Conti D, Liang Y, Jones DP, McConnell R, Chatzi L"},

"STUDY":{"STUDY_TITLE":"Environmental chemical burden in metabolic tissues and systemic biological pathways in adolescent bariatric surgery patients: A pilot untargeted metabolomic approach (part-II)","STUDY_TYPE":"Subcutaneous adipose tissue (AT); Visceral AT; Liver Tissue; Plasma","STUDY_SUMMARY":"Background: Advances in untargeted metabolomic technologies have great potential for insight into adverse metabolic effects underlying exposure to environmental chemicals. However, important challenges need to be addressed, including how biological response corresponds to the environmental chemical burden in different target tissues. Aim: We performed a pilot study using state-of-the-art ultra-high-resolution mass spectrometry (UHRMS) to characterize the burden of lipophilic persistent organic pollutants (POPs) in metabolic tissues and associated alterations in the plasma metabolome. Methods: We studied 11 adolescents with severe obesity at the time of bariatric surgery. We measured 18 POPs that can act as endocrine and metabolic disruptors (i.e. 2 dioxins, 11 organochlorine compounds [OCs] and 5 polybrominated diphenyl ethers [PBDEs]) in visceral and subcutaneous abdominal adipose tissue (vAT and sAT), and liver samples using gas chromatography with UHRMS. Biological pathways were evaluated by measuring the plasma metabolome using high-resolution metabolomics. Network and pathway enrichment analysis assessed correlations between the tissue-specific burden of three frequently detected POPs (i.e. p,p’-dichlorodiphenyldichloroethene [DDE], hexachlorobenzene [HCB] and PBDE-47) and plasma metabolic pathways. Results: Concentrations of 4 OCs and 3 PBDEs were quantifiable in at least one metabolic tissue for >80% of participants. All POPs had the highest median concentrations in adipose tissue, especially sAT, except for PBDE-154, which had comparable average concentrations across all tissues. Pathway analysis showed high correlations between tissue-specific POPs and metabolic alterations in pathways of amino acid metabolism, lipid and fatty acid metabolism, and carbohydrate metabolism. Conclusions: Most of the measured POPs appear to accumulate preferentially in adipose tissue compared to liver. Findings of plasma metabolic pathways potentially associated with tissue-specific POPs concentrations merit further investigation in larger populations.","INSTITUTE":"Icahn School of Medicine at Mount Sinai","DEPARTMENT":"Environmental Medicine and Public Health","LABORATORY":"High Resolution Exposomics Research Group","LAST_NAME":"Walker","FIRST_NAME":"Doug","ADDRESS":"One Gustave L. Levy Place, Box 1057, New York, NY 10029","EMAIL":"douglas.walker@mssm.edu","PHONE":"212-241-9891","NUM_GROUPS":"4","TOTAL_SUBJECTS":"11","NUM_MALES":"1","NUM_FEMALES":"10","STUDY_COMMENTS":"Upload #1: Visceral and subcutaneous abdominal adipose tissue, liver tissue. Plasma metabolomics are in upload #2","PUBLICATIONS":"Valvi D, Walker DI, Inge T, Bartell SM, Jenkins T, Helmrath M, Ziegler TR, La Merrill MA, Eckel SP, Conti D, Liang Y, Jones DP, McConnell R, Chatzi L. (2020). Environmental chemical burden in metabolic tissues and systemic biological pathways in adolescent bariatric surgery patients: A pilot untargeted metabolomic approach. Environment International. In Press."},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"11-20 years","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"POTR_02",
"Sample ID":"POTR_02_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.3613","RAW_FILE_NAME":"DW_20180308_003;DW_20180308_004"}
},
{
"Subject ID":"POTR_03",
"Sample ID":"POTR_03_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.1314","RAW_FILE_NAME":"DW_20180308_007;DW_20180308_008"}
},
{
"Subject ID":"POTR_04",
"Sample ID":"POTR_04_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.3944","RAW_FILE_NAME":"DW_20180308_009;DW_20180308_010"}
},
{
"Subject ID":"POTR_05",
"Sample ID":"POTR_05_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.266","RAW_FILE_NAME":"DW_20180308_011;DW_20180308_012"}
},
{
"Subject ID":"POTR_06",
"Sample ID":"POTR_06_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.2335","RAW_FILE_NAME":"DW_20180308_013;DW_20180308_014"}
},
{
"Subject ID":"POTR_07",
"Sample ID":"POTR_07_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.2454","RAW_FILE_NAME":"DW_20180308_015;DW_20180308_016"}
},
{
"Subject ID":"POTR_08",
"Sample ID":"POTR_08_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.2901","RAW_FILE_NAME":"DW_20180308_017;DW_20180308_018"}
},
{
"Subject ID":"POTR_09",
"Sample ID":"POTR_09_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.3367","RAW_FILE_NAME":"DW_20180308_019;DW_20180308_020"}
},
{
"Subject ID":"POTR_10",
"Sample ID":"POTR_10_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.6257","RAW_FILE_NAME":"DW_20180308_021;DW_20180308_022"}
},
{
"Subject ID":"POTR_11",
"Sample ID":"POTR_11_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.1377","RAW_FILE_NAME":"DW_20180308_023;DW_20180308_024"}
},
{
"Subject ID":"POTR_12",
"Sample ID":"POTR_12_sAT",
"Factors":{"Tissue Type":"INTRA-ABDOMINAL ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"1","Tissue Weight (g)":"0.5808","RAW_FILE_NAME":"DW_20180309_005;DW_20180309_006"}
},
{
"Subject ID":"POTR_02",
"Sample ID":"POTR_02_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.7665","RAW_FILE_NAME":"DW_20180309_007;DW_20180309_008"}
},
{
"Subject ID":"POTR_03",
"Sample ID":"POTR_03_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.139","RAW_FILE_NAME":"DW_20180309_009;DW_20180309_010"}
},
{
"Subject ID":"POTR_04",
"Sample ID":"POTR_04_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.2564","RAW_FILE_NAME":"DW_20180309_011;DW_20180309_012"}
},
{
"Subject ID":"POTR_05",
"Sample ID":"POTR_05_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.2598","RAW_FILE_NAME":"DW_20180309_013;DW_20180309_014"}
},
{
"Subject ID":"POTR_06",
"Sample ID":"POTR_06_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.3776","RAW_FILE_NAME":"DW_20180309_015;DW_20180309_016"}
},
{
"Subject ID":"POTR_07",
"Sample ID":"POTR_07_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.1319","RAW_FILE_NAME":"DW_20180309_017;DW_20180309_018"}
},
{
"Subject ID":"POTR_08",
"Sample ID":"POTR_08_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.2847","RAW_FILE_NAME":"DW_20180309_019;DW_20180309_020"}
},
{
"Subject ID":"POTR_09",
"Sample ID":"POTR_09_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.2846","RAW_FILE_NAME":"DW_20180309_021;DW_20180309_022"}
},
{
"Subject ID":"POTR_10",
"Sample ID":"POTR_10_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.2978","RAW_FILE_NAME":"DW_20180309_023;DW_20180309_024"}
},
{
"Subject ID":"POTR_11",
"Sample ID":"POTR_11_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.254","RAW_FILE_NAME":"DW_20180309_025;DW_20180309_026"}
},
{
"Subject ID":"POTR_12",
"Sample ID":"POTR_12_vAT",
"Factors":{"Tissue Type":"SUBCUTANEOUS ADIPOSE TISSUE"},
"Additional sample data":{"Batch":"3","Tissue Weight (g)":"0.1495","RAW_FILE_NAME":"DW_20180312_005;DW_20180312_006"}
},
{
"Subject ID":"POTR_02",
"Sample ID":"POTR_02_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.4708","RAW_FILE_NAME":"DW_20180312_007;DW_20180312_008"}
},
{
"Subject ID":"POTR_03",
"Sample ID":"POTR_03_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.1482","RAW_FILE_NAME":"DW_20180312_009;DW_20180312_010"}
},
{
"Subject ID":"POTR_04",
"Sample ID":"POTR_04_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.2413","RAW_FILE_NAME":"DW_20180312_011;DW_20180312_012"}
},
{
"Subject ID":"POTR_05",
"Sample ID":"POTR_05_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.38","RAW_FILE_NAME":"DW_20180312_013;DW_20180312_014"}
},
{
"Subject ID":"POTR_06",
"Sample ID":"POTR_06_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.3593","RAW_FILE_NAME":"DW_20180312_015;DW_20180312_016"}
},
{
"Subject ID":"POTR_07",
"Sample ID":"POTR_07_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.0918","RAW_FILE_NAME":"DW_20180312_017;DW_20180312_018"}
},
{
"Subject ID":"POTR_08",
"Sample ID":"POTR_08_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.5442","RAW_FILE_NAME":"DW_20180312_019;DW_20180312_020"}
},
{
"Subject ID":"POTR_09",
"Sample ID":"POTR_09_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.2081","RAW_FILE_NAME":"DW_20180312_021;DW_20180312_022"}
},
{
"Subject ID":"POTR_10",
"Sample ID":"POTR_10_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.1846","RAW_FILE_NAME":"DW_20180312_023;DW_20180312_024"}
},
{
"Subject ID":"POTR_11",
"Sample ID":"POTR_11_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.1493","RAW_FILE_NAME":"DW_20180312_025;DW_20180312_026"}
},
{
"Subject ID":"POTR_12",
"Sample ID":"POTR_12_Liver",
"Factors":{"Tissue Type":"LIVER"},
"Additional sample data":{"Batch":"2","Tissue Weight (g)":"0.1051","RAW_FILE_NAME":"DW_20180312_025"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Eleven adolescents 12–20 years of age undergoing bariatric surgery at Cincinnati Children’s Hospital between 2006 and 2012 were offered enrollment in a prospective biospecimen repository protocol (Pediatric Obesity Tissue Repository [POTR]). Sample recruitment and other POTR features have been reported previously (Davidson et al. 2017). Intraoperatively, visceral adipose tissue (vAT) samples from the omentum, abdominal subcutaneous AT (sAT), and liver samples were obtained by the surgeon and processed immediately in an area adjacent to the operating room. All samples were snap-frozen in liquid nitrogen, then stored at −80°C. Plasma was collected pre-operatively after overnight fasting and stored at -80°C. Written informed consent was obtained from participants equal to or above 18 years old or from the parent or guardian if participants were less than 18 years old. The study was approved by the Institutional Review Board at Cincinnati Children’s Hospital.","SAMPLE_TYPE":"Adipose tissue","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"The objective of the observational study was to evaluate the relationship between adipose and liver tissue POPs and the plasma metabolome. All participants underwent bariatric surgery at the time of tissue collection. No other treatment or intervention was evaluated."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Tissue POPs concentrations were measured in vAT, sAT and liver tissues collected during surgery. All tissue samples were prepared in batches of 11 study samples and 3 method blanks using a modified version of the QuECHERS method described by (Zamariola et al. 2017). Briefly, 0.2-0.5g of tissue was weighed, placed in an amber glass vial and treated with 3.5mL of LC-MS grade water. Each sample was then spiked with 50μL internal standard solution prepared in 2-proponal that was designed to represent environmental chemicals with a range of physiochemical properties to monitor analysis QA/QC, and included 500 ng/mL [13C6]-Anthracene, [13C12]-PCB28, [DIETHYL-D10]-Chlorpyrifos, [13C12]-PCB101, [13C12]-4,4'-DDE, [13C12]-PCB153, [13C12]-PCB180, [13C12]-PBDE47, [13C10]-Mirex, [13C6]-cis-Permethrin, [13C12]-PBDE99 and [13C12]-PBB153. Following addition of the internal standard solution, the sample was then homogenized for 1 min and placed in a sonicating bath for 10 min. The resulting homogenate was transferred to a 50 mL conical tube containing 10mL acetonitrile, 4000mg MgSO4 and1000mg NaCl, and vortexed for 5 min. After centrifuging, a 1.5mL aliquout was transferred to a cleanup tube containing 50 mg primary and secondary amine exchange material (PSA), 50 mg C18 and 150 mg MgSO4, vortex-mixed for 1 min and centrifuged at max speed for 5 min. From the supernatant, a 1 mL aliquot was transferred to a clean, glass tube and dried completely in a vacuum centrifuge operated at 35°C. The residue was then resuspended in 50μL isooctane and transferred to a GC vial containing a low volume insert and capped with a Teflon lined cap until analysis.","SAMPLEPREP_PROTOCOL_ID":"douglas_walker_Protocol_for_adipose_tissue_exposomics_v3_08Mar2018.pdf","SAMPLEPREP_PROTOCOL_FILENAME":"douglas_walker_Protocol_for_adipose_tissue_exposomics_v3_08Mar2018.pdf","PROCESSING_STORAGE_CONDITIONS":"Room temperature"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Tissue extracts were analyzed using a Thermo Scientific 1310 gas chromatograph connected to a Q Exactive GC Orbitrap GC-MS/MS ultra-high-resolution mass spectrometer and Triplus RSH autosampler. A 2 µL aliquot of extract was injected into an inlet maintained at 250ºC in pulsed split-less mode. The analytes were separated on an Agilent DB-5MSUI capillary column (30m length × 0.25mm inner diameter × 0.25µm film thickness) using high purity helium (99.999% purity) as the carrier gas at a constant flow rate of 1 mL/min. The oven temperature program consisted of an initial temperature of 100ºC for 1 min, increased to 180ºC at 25ºC/min; followed by a temperature ramp to 215ºC at 5ºC/min, and finally increased to 300ºC at 25ºC/min and held for 10 min, resulting in a total run time of 26.6 min.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Thermo Trace 1310","COLUMN_NAME":"Agilent DB5-MS (30m x 0.25mm, 0.25um)","FLOW_RATE":"1 mL/min","INJECTION_TEMPERATURE":"250C","INTERNAL_STANDARD":"[13C6]-Anthracene, [13C12]-PCB28, [DIETHYL-D10]-Chlorpyrifos, [13C12]-PCB101, [13C12]-4,4'-DDE, [13C12]-PCB153, [13C12]-PCB180, [13C12]-PBDE47, [13C10]-Mirex, [13C6]-cis-Permethrin, [13C12]-PBDE99 and [13C12]-PBB153","SAMPLE_INJECTION":"2 uL","ANALYTICAL_TIME":"26.6","OVEN_TEMPERATURE":"The oven temperature program consisted of an initial temperature of 100ºC for 1 min, increased to 180ºC at 25ºC/min; followed by a temperature ramp to 215ºC at 5ºC/min, and finally increased to 300ºC at 25ºC/min and held for 10 min","TRANSFERLINE_TEMPERATURE":"280","SAMPLE_SYRINGE_SIZE":"10uL"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Clinical Biomarkers Laboratory","OPERATOR_NAME":"Bill Liang","ACQUISITION_DATE":"March 2018","DATA_FORMAT":".Raw"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive GC Orbitrap GC-MS/MS","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Targeted peak assignment and integration was completed using TraceFinder","ION_SOURCE_TEMPERATURE":"250C","IONIZATION":"Postive","IONIZATION_ENERGY":"-70eV"},

"MS_METABOLITE_DATA":{
"Units":"pg/g",

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}

}