{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001437","ANALYSIS_ID":"AN002401","VERSION":"1","CREATED_ON":"July 31, 2020, 3:44 pm"},

"PROJECT":{"PROJECT_TITLE":"Sub-nanoliter metabolomics via mass spectrometry to characterize volume-limited samples","PROJECT_SUMMARY":"The human metabolome provides a window into the mechanisms and biomarkers of various diseases. However, because of limited availability, many sample types are still difficult to study by metabolomic analyses. Here, we present a new mass spectrometry (MS)-based metabolomics strategy that only consumes sub-nanoliter sample volumes. The approach consists of combining a customized metabolomics workflow with a pulsed MS ion generation method, known as triboelectric nanogenerator inductive nanoelectrospray ionization (TENGi nanoESI) MS. Samples tested for this approach included exhaled breath condensates (EBC) collected from cystic fibrosis (CF) patients as well as in vitro-cultured human mesenchymal stromal cells (MSCs). Both test samples were only available in minimum amounts. Experiments showed that picoliter-volume spray pulses sufficed to generate high-quality spectral fingerprints, which increased the information density produced per unit sample volume. This TENGi nanoESI strategy has the potential to fill in the gap in metabolomics where liquid chromatography-MS-based analyses cannot be applied. Our method could open up new avenues for future investigations into understanding metabolic changes caused by diseases or external stimuli.","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"Fernandez","FIRST_NAME":"Facundo","ADDRESS":"901 Atlantic Dr NE, Atlanta, GA, 30332, USA","EMAIL":"fernandez@gatech.edu","PHONE":"404-385-4432"},

"STUDY":{"STUDY_TITLE":"Sub-nanoliter metabolomics via mass spectrometry to characterize volume-limited samples","STUDY_SUMMARY":"The human metabolome provides a window into the mechanisms and biomarkers of various diseases. However, because of limited availability, many sample types are still difficult to study by metabolomic analyses. Here, we present a new mass spectrometry (MS)-based metabolomics strategy that only consumes sub-nanoliter sample volumes. The approach consists of combining a customized metabolomics workflow with a pulsed MS ion generation method, known as triboelectric nanogenerator inductive nanoelectrospray ionization (TENGi nanoESI) MS. The first set of samples tested for this approach included exhaled breath condensates (EBC) collected from cystic fibrosis (CF) patients with impaired glucose tolerance to study the metabolome changes before and after the oral glucose tolerance test.","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"Facundo","FIRST_NAME":"Fernandez","ADDRESS":"901 Atlantic Dr NW","EMAIL":"fernandez@gatech.edu","PHONE":"(404) 385-4432"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"11B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-11B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"11B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-11B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"12B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-12B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"12B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-12B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"13B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-13B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"13B03",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-13B-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"14B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-14B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"14B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-14B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"15B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-15B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"15B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-15B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"16B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-16B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"16B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-16B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"17B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-17B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"17B03",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-17B-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"8B02",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-8B-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"8B03",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-8B-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"9B01",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-9B-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"9B03",
"Factors":{"Group":"Post"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-9B-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"10A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-10A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"10A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-10A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"11A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-11A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"11A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-11A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"12A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-12A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"12A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-12A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"13A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-13A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"13A03",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-13A-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"14A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-14A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"14A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-14A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"16A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-16A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"16A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-16A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"17A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-17A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"17A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-17A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"2A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-2A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"2A03",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-2A-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"8A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-8A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"8A03",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-8A-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"9A01",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-9A-NEG-01"}
},
{
"Subject ID":"-",
"Sample ID":"9A02",
"Factors":{"Group":"Pre"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-9A-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"Blank02",
"Factors":{"Group":"Blank"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-BLANK-NEG-02"}
},
{
"Subject ID":"-",
"Sample ID":"Blank03",
"Factors":{"Group":"Blank"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-BLANK-NEG-03"}
},
{
"Subject ID":"-",
"Sample ID":"QC_A01",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-A01"}
},
{
"Subject ID":"-",
"Sample ID":"QC_A03",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-A03"}
},
{
"Subject ID":"-",
"Sample ID":"QC_B02",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-B02"}
},
{
"Subject ID":"-",
"Sample ID":"QC_B03",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-B03"}
},
{
"Subject ID":"-",
"Sample ID":"QC_C01",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-C01"}
},
{
"Subject ID":"-",
"Sample ID":"QC_C02",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-C02"}
},
{
"Subject ID":"-",
"Sample ID":"QC_D01",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-D01"}
},
{
"Subject ID":"-",
"Sample ID":"QC_D02",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-D02"}
},
{
"Subject ID":"-",
"Sample ID":"QC_E02",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-E02"}
},
{
"Subject ID":"-",
"Sample ID":"QC_E03",
"Factors":{"Group":"QC"},
"Additional sample data":{"RAW_FILE_NAME":"TENGI-QC-NEG-E03"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"EBC from 11 CF patients with abnormalities in glucose homeostasis (as defined by having prediabetes/impaired glucose tolerance [CF IGT] on an oral glucose tolerance test) was collected both fasting and 2 hours following ingestion of a glucose drink. They were termed as “Pre” and “Post”, respectively. Of these 11 subjects, one did not have an adequate sample for the “Pre” and another did not have a sample for the “Post” study giving a total of 20 samples analyzed (one of then failed to purduce enough features as others and was regarded as an outlier and removed). EBC sample collection followed the guidelines approved by the Georgia Institute of Technology and the Emory University Institutional Review Boards (approval number IRB00000372). Samples were collected with an R-Tube collector (Respiratory Research, Inc., Austin, TX, USA). After collection, samples were immediately frozen at -80℃ until processed.","SAMPLE_TYPE":"Exhaled Breath condensate"},

"TREATMENT":{"TREATMENT_SUMMARY":"A total of 20 EBC samples (10 for each group), each 50 µL in volume before concentration, were phenotyped. A pooled sample, which was used as a QC, was prepared by taking 5 µL from each EBC sample and mixing the aliquots together. Then, the 20 samples, together with the pooled QC sample and the blank sample (containing only ultrapure water) were lyophilized at -40 C and 100 mTorr for 24h in a VirTis Benchtop freeze-drier (LP Industries, Stone Ridge, NY, USA). Residues were then reconstituted in 9 μL of methanol/water 1:9 (v:v) with 1×10-6 M 13C-tyrosine spiked in. This resulted in a 5-fold concentration factor."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"A total of 20 EBC samples (10 for each group), each 50 µL in volume before concentration, were phenotyped. A pooled sample, which was used as a QC, was prepared by taking 5 µL from each EBC sample and mixing the aliquots together. Then, the 20 samples, together with the pooled QC sample and the blank sample (containing only ultrapure water) were lyophilized at -40 C and 100 mTorr for 24h in a VirTis Benchtop freeze-drier (LP Industries, Stone Ridge, NY, USA). Residues were then reconstituted in 9 μL of methanol/water 1:9 (v:v) with 1×10-6 M 13C-tyrosine spiked in. This resulted in a 5-fold concentration factor."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"None (Direct infusion)","INSTRUMENT_NAME":"none","COLUMN_NAME":"none"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Waters Synapt G2 S QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Negative ion mode in the 50-750 m/z range was used for experiments Detailed data process see attached Method file","MS_RESULTS_FILE":"ST001437_AN002401_Results.txt UNITS:Normalized Intensity (Intensity ratio against internal standard signal))  Has m/z:Yes Has RT:No RT units:No RT data"}

}