{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003016","ANALYSIS_ID":"AN004949","VERSION":"1","CREATED_ON":"December 19, 2023, 1:43 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics analysis of Cormus domestica (L.) fruits and the valorisation of an ethnobotanical heritage of culinary and medicinal uses in Italy","PROJECT_TYPE":"LC-MS analysis","PROJECT_SUMMARY":"Cormus domestica (L.) is a monophyletic wild fruit tree belonging to the Rosaceae family, with well-documented use in the Mediterranean region. Traditionally, these fruits are harvested and stored for at least 2 weeks before consumption. During this period, the fruit reaches its well-known and peculiar organoleptic and texture characteristics. However, the spread of more profitable fruit tree species, resulted in its progressive erosion. In this work we performed proteomic and metabolomic fruit analyses at three times after harvesting to provide data on its chemical composition and nutritional and nutraceutical properties.","INSTITUTE":"Università degli Studi del Sannio (Benevento, Italy)","DEPARTMENT":"University of Sannio, Department of Science and Technology, via de Sanctis, Benevento 82100 Italy AND University of Córdoba, Department of Biochemistry and Molecular Biology, Spain","LABORATORY":"Integrated Laboratory of Animal and Plant Biology for Environment and Health (Italy) AND Agroforestry and Plant Biochemistry, Proteomics and Systems Biology (Spain)","LAST_NAME":"Tienda","FIRST_NAME":"Marta","ADDRESS":"Pz/ Escultor Ruiz Olmos 2, 5-3","EMAIL":"b72tipam@uco.es","PHONE":"634925272","FUNDING_SOURCE":"This research was funded by Progetto DICOVALE (CUP B24I19000440009), Programma di Sviluppo Rurale 2014-2020. SOTTOMISURA 10.2.1 “Conservazione delle risorse generiche autoctone a tutela della biodiversità – RGV Risorse Genetiche Vegetali”"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of Cormus domestica (L.) fruits and the valorisation of an ethnobotanical heritage of culinary and medicinal uses in Italy","STUDY_TYPE":"Untargeted MS-based metabolomics","STUDY_SUMMARY":"Cormus domestica (L.) is a monophyletic wild fruit tree belonging to the Rosaceae family, with well-documented use in the Mediterranean region. Traditionally, these fruits are harvested and stored for at least 2 weeks before consumption. During this period, the fruit reaches its well-known and peculiar organoleptic and texture characteristics. However, the spread of more profitable fruit tree species, resulted in its progressive erosion. In this work we performed proteomic and metabolomic fruit analyses at three times after harvesting to provide data on its chemical composition and nutritional and nutraceutical properties.","INSTITUTE":"Università degli Studi del Sannio (Benevento, Italy) and University of Córdoba (Spain)","DEPARTMENT":"University of Sannio, Department of Science and Technology, via de Sanctis, Benevento 82100 Italy AND University of Córdoba, Department of Biochemistry and Molecular Biology, Spain","LABORATORY":"Integrated Laboratory of Animal and Plant Biology for Environment and Health (Italy) AND Agroforestry and Plant Biochemistry, Proteomics and Systems Biology (Spain)","LAST_NAME":"Tienda","FIRST_NAME":"Marta","ADDRESS":"Campus de Rabanales, Córdoba, Córdoba, 14014, Spain","EMAIL":"b72tipam@uco.es","PHONE":"634925272"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Cormus domestica (L.)","TAXONOMY_ID":"36606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1_FS",
"Factors":{"Factor":"T1"},
"Additional sample data":{"RAW_FILE_NAME":"220923_1_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"2_FS",
"Factors":{"Factor":"T1"},
"Additional sample data":{"RAW_FILE_NAME":"220923_2_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"3_FS",
"Factors":{"Factor":"T1"},
"Additional sample data":{"RAW_FILE_NAME":"220923_3_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"4_FS",
"Factors":{"Factor":"T2"},
"Additional sample data":{"RAW_FILE_NAME":"220923_4_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"5_FS",
"Factors":{"Factor":"T2"},
"Additional sample data":{"RAW_FILE_NAME":"220923_5_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"6_FS",
"Factors":{"Factor":"T2"},
"Additional sample data":{"RAW_FILE_NAME":"220923_6_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"7_FS",
"Factors":{"Factor":"T3"},
"Additional sample data":{"RAW_FILE_NAME":"220923_7_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"8_FS",
"Factors":{"Factor":"T3"},
"Additional sample data":{"RAW_FILE_NAME":"220923_8_FS_pos.mzXML"}
},
{
"Subject ID":"-",
"Sample ID":"9_FS",
"Factors":{"Factor":"T3"},
"Additional sample data":{"RAW_FILE_NAME":"220923_9_FS_pos.mzXML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The fruits of Cormus domestica (L.) were collected in Campania, Italy in September 2021 from three different trees located in the same area with slightly alkaline, sandy and well drained soils (Figure 5). The climate in this area is typically Mediterranean, with average minimum winter temperatures of 8°C and 24°C in summer and average annual rainfall of around 900 mm. The harvested fruits (T0) were transported to the laboratory where the traditional post-harvest ripening procedure for these fruits was applied, which involves staying in a ventilated, cool and dry place in the dark for a period of about 2 weeks (T1). Ripening continued for a further 2 weeks until the fruit had completely turned brown (T2).","SAMPLE_TYPE":"Plant","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"The harvested fruits (T1) were transported to the laboratory where the traditional post-harvest ripening procedure for these fruits was applied, which involves staying in a ventilated, cool and dry place in the dark for a period of about 2 weeks (T2). Ripening continued for a further 2 weeks until the fruit had completely turned brown (T3).","PLANT_GROWTH_LOCATION":"Campania, Italy in September 2021 from three different trees located in the same area with slightly alkaline, sandy and well drained soils","PLANT_METAB_QUENCH_METHOD":"Liquid N2","PLANT_STORAGE":"Freeze-dried"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For metabolite extraction, three replicates were taken for each ripening stage considered (T1-T2-T3). Fruits were washed in deionised water, freeze-dried and pulverised in liquid nitrogen. Metabolites were then extracted from 30 milligrams of sample using 600 microlitres of cold ethanol:water (4:1) extraction solution while stirring for 10 s. The mixture was sonicated (40 kHZ for 10 min) and centrifuged (20,000 g, 4°C, 4 min), the supernatant thus obtained was transferred to a new tube and the extraction was repeated on the pellet with a further 600 microlitres of ethanol:water (4:1).","PROCESSING_METHOD":"Ethanol:Water","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Ethanol:Water","EXTRACT_CLEANUP":"Centrifugation","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"Methanol","SAMPLE_DERIVATIZATION":"NO","SAMPLE_SPIKING":"NO"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Chromatographic separations were performed using an Acquity UPLC BEH C18 column (2.1 x 100 mm, 1.7 µm) (Waters). The column was maintained at 40 °C and eluted under the following conditions: 5% B for 1 min, linear gradient from 5% to 100% in solvent B for 9 min, isocratic at 100% B for 2 min, and return to initial conditions, 5% B for 3 min. A flow rate of 0.5 mL/min was used. Eluent A was 0.1% formic acid in water and eluent B was 0.1% formic acid in methanol. Injection volume was 5 µl.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)","SOLVENT_A":"0.1 % formic acid in water","SOLVENT_B":"0.1 % formic acid in methanol","FLOW_GRADIENT":"5 % - 100 %","FLOW_RATE":"0.5 mL/min","COLUMN_TEMPERATURE":"40ºC"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"QTRAP","MS_TYPE":"Other","ION_MODE":"POSITIVE","MS_COMMENTS":"POS Instrument control and data acquisition was carried out using Xcalibur v.4.3 software. Data treatment, alignment (with a maximum shift of 0.1 min and a mass tolerance of 5 ppm), peak selection, deconvolution, normalization and annotation were performed using Compound Discoverer v3.1 (Thermo Fisher Scientific, Bremen, Germany).","MS_RESULTS_FILE":"ST003016_AN004949_Results.txt UNITS:Peak Area Has m/z:Neutral masses Has RT:Yes RT units:Minutes"}

}