{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001814","ANALYSIS_ID":"AN002942","VERSION":"1","CREATED_ON":"June 3, 2021, 12:38 am"},

"PROJECT":{"PROJECT_TITLE":"Searching for prognostic biomarkers of Parkinson´s Disease development in the Spanish EPIC cohort through a multiplatform metabolomics approach","PROJECT_SUMMARY":"The lack of knowledge about the onset and progression of Parkinson’s disease (PD) hampers its early diagnosis and treatment. We used a multiplatform untargeted metabolomics-based approach to uncover the biochemical remodeling induced by PD in a really early and pre-symptomatic stage and unveiling early potential diagnostic biomarkers. Baseline pre-clinical plasma samples (Pre-PD n=39; control group n=39) were obtained from the European Prospective Study on Nutrition and Cancer (EPIC) cohort, which healthy volunteers were followed for around 15 years to ascertain incident PD. Our finding revealed alterations in fatty acids metabolism, mitochondrial dysfunction, oxidative stress, and gut-brain axis dysregulation. This study is of inestimable value since this is the first study conducted with samples collected many years before the disease development.","INSTITUTE":"Universidad CEU San Pablo","DEPARTMENT":"Center of Metabolomics and Bioanalysis","LAST_NAME":"Gonzalez-Riano","FIRST_NAME":"Carolina","ADDRESS":"Facultad de Farmacia, Universidad CEU San Pablo, Campus Monteprincipe, Boadilla del Monte, Boadilla del Monte, Madrid, 28668, Spain","EMAIL":"carolina.gonzalezriano@ceu.es","PHONE":"00 34 91 3724753"},

"STUDY":{"STUDY_TITLE":"Searching for prognostic biomarkers of Parkinson´s Disease development in the Spanish EPIC cohort through a multiplatform metabolomics approach","STUDY_SUMMARY":"The lack of knowledge about the onset and progression of Parkinson’s disease (PD) hampers its early diagnosis and treatment. We used a multiplatform untargeted metabolomics-based approach to uncover the biochemical remodeling induced by PD in a really early and pre-symptomatic stage and unveiling early potential diagnostic biomarkers. Baseline pre-clinical plasma samples (Pre-PD n=39; control group n=39) were obtained from the European Prospective Study on Nutrition and Cancer (EPIC) cohort, which healthy volunteers were followed for around 15 years to ascertain incident PD. Our finding revealed alterations in fatty acids metabolism, mitochondrial dysfunction, oxidative stress, and gut-brain axis dysregulation. This study is of inestimable value since this is the first study conducted with samples collected many years before the disease development.","INSTITUTE":"Universidad CEU San Pablo","LAST_NAME":"Gonzalez-Riano","FIRST_NAME":"Carolina","ADDRESS":"km 0, Universidad CEU-San Pablo Urbanización Montepríncipe. M-501, 28925 Alcorcón","EMAIL":"carolina.gonzalezriano@ceu.es","PHONE":"646251045"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Local Sample ID",
"Sample ID":"Sample name",
"Factors":{"Factor1":"Classification"},
"Additional sample data":{"RAW_FILE_NAME":"Raw Data file"}
},
{
"Subject ID":"2",
"Sample ID":"2",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"2"}
},
{
"Subject ID":"5",
"Sample ID":"5",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"5"}
},
{
"Subject ID":"8",
"Sample ID":"8",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"8"}
},
{
"Subject ID":"12",
"Sample ID":"12",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"12"}
},
{
"Subject ID":"15",
"Sample ID":"15",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"15"}
},
{
"Subject ID":"19",
"Sample ID":"19",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"19"}
},
{
"Subject ID":"21",
"Sample ID":"21",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"21"}
},
{
"Subject ID":"23",
"Sample ID":"23",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"23"}
},
{
"Subject ID":"25",
"Sample ID":"25",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"25"}
},
{
"Subject ID":"27",
"Sample ID":"27",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"27"}
},
{
"Subject ID":"28",
"Sample ID":"28",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"28"}
},
{
"Subject ID":"30",
"Sample ID":"30",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"30"}
},
{
"Subject ID":"32",
"Sample ID":"32",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"32"}
},
{
"Subject ID":"33",
"Sample ID":"33",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"33"}
},
{
"Subject ID":"34",
"Sample ID":"34",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"34"}
},
{
"Subject ID":"35",
"Sample ID":"35",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"35"}
},
{
"Subject ID":"36",
"Sample ID":"36",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"36"}
},
{
"Subject ID":"39",
"Sample ID":"39",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"39"}
},
{
"Subject ID":"40",
"Sample ID":"40",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"40"}
},
{
"Subject ID":"42",
"Sample ID":"42",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"42"}
},
{
"Subject ID":"43",
"Sample ID":"43",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"43"}
},
{
"Subject ID":"44",
"Sample ID":"44",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"44"}
},
{
"Subject ID":"46",
"Sample ID":"46",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"46"}
},
{
"Subject ID":"47",
"Sample ID":"47",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"47"}
},
{
"Subject ID":"48",
"Sample ID":"48",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"48"}
},
{
"Subject ID":"49",
"Sample ID":"49",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"49"}
},
{
"Subject ID":"50",
"Sample ID":"50",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"50"}
},
{
"Subject ID":"53",
"Sample ID":"53",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"53"}
},
{
"Subject ID":"54",
"Sample ID":"54",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"54"}
},
{
"Subject ID":"56",
"Sample ID":"56",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"56"}
},
{
"Subject ID":"57",
"Sample ID":"57",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"57"}
},
{
"Subject ID":"60",
"Sample ID":"60",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"60"}
},
{
"Subject ID":"62",
"Sample ID":"62",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"62"}
},
{
"Subject ID":"64",
"Sample ID":"64",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"64"}
},
{
"Subject ID":"65",
"Sample ID":"65",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"65"}
},
{
"Subject ID":"67",
"Sample ID":"67",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"67"}
},
{
"Subject ID":"68",
"Sample ID":"68",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"68"}
},
{
"Subject ID":"70",
"Sample ID":"70",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"70"}
},
{
"Subject ID":"71",
"Sample ID":"71",
"Factors":{"Factor1":"CASE"},
"Additional sample data":{"RAW_FILE_NAME":"71"}
},
{
"Subject ID":"C12A",
"Sample ID":"C12A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C12A"}
},
{
"Subject ID":"C15B",
"Sample ID":"C15B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C15B"}
},
{
"Subject ID":"C19B",
"Sample ID":"C19B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C19B"}
},
{
"Subject ID":"C21B",
"Sample ID":"C21B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C21B"}
},
{
"Subject ID":"C23A",
"Sample ID":"C23A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C23A"}
},
{
"Subject ID":"C25B",
"Sample ID":"C25B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C25B"}
},
{
"Subject ID":"C27A",
"Sample ID":"C27A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C27A"}
},
{
"Subject ID":"C28A",
"Sample ID":"C28A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C28A"}
},
{
"Subject ID":"C2A",
"Sample ID":"C2A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C2A"}
},
{
"Subject ID":"C30B",
"Sample ID":"C30B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C30B"}
},
{
"Subject ID":"C32B",
"Sample ID":"C32B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C32B"}
},
{
"Subject ID":"C33A",
"Sample ID":"C33A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C33A"}
},
{
"Subject ID":"C34B",
"Sample ID":"C34B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C34B"}
},
{
"Subject ID":"C35B",
"Sample ID":"C35B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C35B"}
},
{
"Subject ID":"C36A",
"Sample ID":"C36A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C36A"}
},
{
"Subject ID":"C39A",
"Sample ID":"C39A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C39A"}
},
{
"Subject ID":"C40B",
"Sample ID":"C40B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C40B"}
},
{
"Subject ID":"C42A",
"Sample ID":"C42A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C42A"}
},
{
"Subject ID":"C43A",
"Sample ID":"C43A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C43A"}
},
{
"Subject ID":"C44B",
"Sample ID":"C44B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C44B"}
},
{
"Subject ID":"C46B",
"Sample ID":"C46B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C46B"}
},
{
"Subject ID":"C47A",
"Sample ID":"C47A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C47A"}
},
{
"Subject ID":"C48A",
"Sample ID":"C48A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C48A"}
},
{
"Subject ID":"C49A",
"Sample ID":"C49A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C49A"}
},
{
"Subject ID":"C50B",
"Sample ID":"C50B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C50B"}
},
{
"Subject ID":"C53A",
"Sample ID":"C53A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C53A"}
},
{
"Subject ID":"C54A",
"Sample ID":"C54A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C54A"}
},
{
"Subject ID":"C56B",
"Sample ID":"C56B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C56B"}
},
{
"Subject ID":"C57A",
"Sample ID":"C57A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C57A"}
},
{
"Subject ID":"C5A",
"Sample ID":"C5A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C5A"}
},
{
"Subject ID":"C60A",
"Sample ID":"C60A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C60A"}
},
{
"Subject ID":"C62B",
"Sample ID":"C62B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C62B"}
},
{
"Subject ID":"C64B",
"Sample ID":"C64B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C64B"}
},
{
"Subject ID":"C65A",
"Sample ID":"C65A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C65A"}
},
{
"Subject ID":"C67B",
"Sample ID":"C67B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C67B"}
},
{
"Subject ID":"C68A",
"Sample ID":"C68A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C68A"}
},
{
"Subject ID":"C70A",
"Sample ID":"C70A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C70A"}
},
{
"Subject ID":"C71B",
"Sample ID":"C71B",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C71B"}
},
{
"Subject ID":"C8A",
"Sample ID":"C8A",
"Factors":{"Factor1":"CONTROL"},
"Additional sample data":{"RAW_FILE_NAME":"C8A"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"On the day of the interview subjects were appointed for blood sample analysis within the next week at the primary care centre, where the interview took place, and a 30 ml blood sample were obtained at baseline. Fasting venous blood samples were drawn and immediately processed and were divided into 0.5 ml aliquots of plasma, serum, concentrated red blood cells and buffy coat, and stored in liquid nitrogen tanks at –190ºC until analysis.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Briefly, for GC-MS analysis, protein precipitation was achieved by mixing 1 volume of plasma with 3 volumes of cold (-20°C) acetonitrile, followed by methoximation with O-methoxyamine hydrochloride (15 mg/mL) in pyridine, and silylation with BSTFA:TMSC (99:1). Finally, 20 ppm of tricosane in heptane was added as internal standard (IS). For CE-MS analysis, 100 µL of plasma was mixed with 100 µL of 0.2 M formic acid containing 5% acetonitrile and 0.4 mM methionine sulfone as IS. The sample was transferred to a centrifree ultracentrifugation device (Millipore Ireland Ltd.,Carrigtohill, Ireland) with a 30 kDa protein cutoff for deproteinization through centrifugation (2000 g, 4 °C, 70 min). For LC-MS analysis, 100 µL of plasma was mixed with 300 µL of a cold mixture (-20°C) of methanol:ethanol (1:1, v/v) for deproteinization. Samples were centrifuged (13,000 g, 4°C, 20 min). After centrifugation, 100 µL of the supernatant was directly injected into the system."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"for GC-MS analysis, protein precipitation was achieved by mixing 1 volume of plasma with 3 volumes of cold (-20°C) acetonitrile, followed by methoximation with O-methoxyamine hydrochloride (15 mg/mL) in pyridine, and silylation with BSTFA:TMSC (99:1). Finally, 20 ppm of tricosane in heptane was added as internal standard (IS). For CE-MS analysis, 100 µL of plasma was mixed with 100 µL of 0.2 M formic acid containing 5% acetonitrile and 0.4 mM methionine sulfone as IS. The sample was transferred to a centrifree ultracentrifugation device (Millipore Ireland Ltd.,Carrigtohill, Ireland) with a 30 kDa protein cutoff for deproteinization through centrifugation (2000 g, 4 °C, 70 min). For LC-MS analysis, 100 µL of plasma was mixed with 300 µL of a cold mixture (-20°C) of methanol:ethanol (1:1, v/v) for deproteinization. Samples were centrifuged (13,000 g, 4°C, 20 min). After centrifugation, 100 µL of the supernatant was directly injected into the system."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"An Agilent GC system (7890A) coupled to a- 5975C mass spectrometer (Agilent Technologies) was used to perform metabolite fingerprinting of plasma samples. Briefly, 2 μL of derivatized samples were automatically injected in split mode (ratio 1:10) through a split liner of ultra-inert deactivated glass wool from Agilent. The separation of the compounds was achieved using a pre-column (10 m J&W integrated with Agilent 122‐5532G) combined with a GC DB5-MS column (length, 30 m; internal diameter, 0.25 mm; and 0.25 μm film of 95% of dimethyl/5% diphenylpolysiloxane).","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Agilent DB5-MS (30m x 0.25mm, 0.25um)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 5975C","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"Agilent MSD ChemStation software (Agilent Technologies); Agilent MassHunter Qualitative B.08.00; Agilent MassHunter Unknowns Analysis Tool 9.0."},

"MS_METABOLITE_DATA":{
"Units":"AREA",

"Data":[{"Metabolite":"3-Hydroxybutyric acid","2":"8419.277507","5":"7038.536741","8":"4891.088151","12":"5832.486025","15":"6421.645943","19":"7555.395371","21":"35226.658","23":"16379.78421","25":"16963.73027","27":"4223.746353","28":"5978.213469","30":"12797.54091","32":"7530.505078","33":"30240.20003","34":"12286.54288","35":"15996.42713","36":"11442.80189","39":"18232.59139","40":"17559.1611","43":"7191.539201","44":"13874.82285","46":"10419.41123","47":"12483.87539","48":"14545.11493","49":"14918.63404","50":"9995.540829","53":"11758.26929","54":"18873.03611","56":"14137.26424","57":"10494.61594","60":"15615.97569","62":"9137.592595","64":"12525.44856","65":"16961.54285","70":"17182.69736","71":"18643.24361","C12A":"6274.983902","C15B":"12546.45782","C19B":"4267.137134","C21B":"8431.705659","C23A":"8649.877574","C25B":"5823.081987","C27A":"12722.3103","C28A":"6209.464042","C2A":"10909.21799","C30B":"6163.2336","C32B":"8698.786233","C33A":"23359.55697","C34B":"10023.62852","C35B":"20118.44326","C36A":"8566.822371","C39A":"148691.3694","C40B":"25786.50491","C42A":"50817.76676","C43A":"75065.50131","C44B":"12426.4324","C46B":"59389.16999","C47A":"82689.21699","C48A":"8434.860599","C49A":"16548.2059","C50B":"12634.41789","C53A":"40647.80745","C54A":"17274.00255","C56B":"68546.87059","C57A":"21073.71157","C5A":"58618.7432","C60A":"48585.48911","C62B":"9980.263717","C64B":"52518.84683","C65A":"38706.87822","C67B":"7955.644114","C68A":"13015.74854","C70A":"10793.51156","C71B":"11162.7855","C8A":"9139.420993"},{"Metabolite":"Palmitoleic 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