MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/m_MTBLS11207_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/RPLC_Data.xlsxftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/s_MTBLS11207.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/a_MTBLS11207_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/12_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/8_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/4_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/QC_3.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/13_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/3_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/11_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/5_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/6_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/10_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/15_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/7_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/12_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/11_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/8_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/10_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/QC_4.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/9_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/14_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/14_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/15_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/QC_1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/1_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/Blanco.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/4_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/3_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/QC_2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/13_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/5_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/9_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/6_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/7_S1.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/2_S2.mzMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207/FILES/1_S2.mzMLprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS11207Metabolites were identified using the NIST/EPA/NIH Mass Spectral Library 2021 (version 20, National Institute of Standards and Technology, USA), PeakView software, CEU Mass Mediator (version 3.0, University of Valencia, Spain), MEDINA internal database and Sirius software (version 5.8.6, University of Jena, Germany)MetaboLightsPublicLiquid Chromatography MS - positive - reverse phaseThe analytical separation for non-polar compounds was achieved using liquid chromatography (LC) with an Agilent series 1290 (Agilent Technologies, Santa Clara, CA, USA) in reverse phase mode (RP) using Atlantis T3 C18 column (3 µm, 2.1 mm x 150 mm; Waters) (Water Corporation, Milford, MA, USA). The mobile phase A consisted of water/acetonitrile (90/10) and 0.1% formic acid. The mobile phase B consisted of acetonitrile/water (90/ 10) and 0.1% formic acid. The chromatographic run was 20 min. The gradient elution consisted of 0.0-0.5 min 1% eluent B; 0.5-11.0 min 99% eluent B, 11.0-15.5 min 99% eluent B and 15.5-15.6 min 1% eluent B and 15.6-20.0 min 1% eluent B.Refining the seminal biomarker detection: metabolome profiles before and after the liquefaction procedure.FundaciÃ³n MEDINACaridad DÃaz Navarrosemenblank samplemass spectrometry assayBriefly, 100 µL of each sample was processed to isolate metabolites and remove cell debris and proteins. Each sample was mixed with an internal standard solution and treated with an 80/20 methanol/water solution to separate metabolites from larger biomolecules. Sperm cells were disrupted using a FastPrep-24 5G homogeniser (MP Biomedicals, Fisher Scientific, USA) and centrifuged. The supernatant containing metabolites was transferred, evaporated, and reconstituted in a methanol, acetonitrile, and Milli-Q water solution. Finally, samples were filtered and stored at 4 °C.blank sampleHomo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS11207Signe Altmäe. signealtmae@ugr.es.Sara Rodríguez.Nerea M. Molina.Jose Antonio Castilla.Caridad Díaz. caridad.diaz@medinaandalucia.es.Rosa Méndez.Rosario Fernández. ROSARIO.FERNANDEZ@MEDINAANDALUCIA.ES.Celia M. Tenorio. Department of Biochemistry and Molecular Biology, Faculty of Sciences, University of Granada, Granada, Spain.The obtained data quality was verified using PCA in MarkerView software (version 1.2.1, AB SCIEX, USA). Retention time and m/z variability were evaluated with PeakView software (version 1.1.2, AB SCIEX) to correct peak alignment. Data processing included peak detection and filtering using MarkerView. Signals from impurities and those with a coefficient of variation greater than 30% in the quality control samples were eliminated. MetaboAnalyst (version 5.0, Xia Lab, McGill University, Canada) was employed for statistical analysis. Time pointcaridad.diaz@medinaandalucia.esThe study population comprised 15 donors from the Gametia Sperm Biobank (Granada, Spain) selected between January and February 2024 . Participants maintained a sexual abstinence period of 3-5 days before self-collecting seminal samples at the Biobank. The study was approved by the Ethics Committee of the University of Granada (CEIM/CEI 0463-M1-18r).MetabolomicsMetabolomicsSemenLiquefactionhigh-performance liquid chromatography-mass spectrometryMetabolomicsSemenLiquefactionhigh-performance liquid chromatography-mass spectrometryMass detection was performed using Triple TOF 5600 quadrupole time-of-flight mass spectrometer (SCIEX, Concord, ON, Canada). The mass spectrometer was operated using electrospray ionization in positive mode and an information-dependent acquisition (IDA) method, range 90-1250 m/z, and the 8 most intense signals were fragmented. The source parameters used in the analysis are as follow: declustering potential (DP): 100 Ev, ion source gas 1 and ion source gas 2 = 50 psi, temperature at 550 °C, ion spray voltage floating = 5000 Ev and curtain gas= 45 psi. Analysis is carried out in time of flight (TOF) mode with an information dependent of acquisition (IDA) experiment with full MS scan and information dependent trigger MS/MS fragmentation results. The accumulation time for MS full scan is 250 ms for scanning and for each IDA experiment is 99 ms. The parameters for this experiment are collision energy (CE) = 30 Ev and collision energy spread (CES) = 15 Ev. Fragmentation analyses monitor as maximum 8 candidate ions per cycle with an intensity threshold above 100 cps, dynamic background subtraction is switched on.falseRefining the seminal biomarker detection: metabolome profiles before and after the liquefaction procedureSemen metabolome analysis presents a promising approach to identify potential biomarkers. However, it remains unclear whether metabolites should be analyzed immediately from fresh ejaculate or after the liquefaction process in conjunction with routine semen quality assessments. To address this question, we set out to evaluate metabolome profiles in semen before and after liquefaction using untargeted metabolomics, with the goal of establishing a protocol for biomarker discovery. Thirty semen samples were collected from 15 healthy donors before and after the liquefaction process and a total of 1664 metabolites were detected in two different analytical approaches. The semen liquefaction process does not affect the overall metabolic profile.2025-04-022024-09-24MTBLS11207