Datasets for the manuscript "Metabolomic and Sphingolipidomic Profiling of Human Hepatoma Cells Exposed to Widely Used Pharmaceuticals"

See experimental details on the main text of the manuscript "Metabolomic and Sphingolipidomic Profiling of Human Hepatoma Cells Exposed to Widely Used Pharmaceuticals" https://doi.org/10.1016/j.jpba.2024.116378

Data description

This study investigates the impact of three commonly used pharmaceuticals (amoxicillin, carbamazepine, and trazodone) on human liver cells. To mimic real-world conditions, liver cells were encapsulated in spheroids and exposed to various concentrations of these drugs for 24 hours. The study employs metabolomic and sphingolipid analyses to identify metabolic changes induced by drug exposure.

LC-MS/MS Method for Sphingolipid Analysis

Targeted sphingolipid analysis was conducted using a Waters ACQUITY UPLC System coupled to a Waters Xevo TQ-S system equipped with an Electrospray Ion Source (ESI) and ScanWave™ collision cell technology, operating in positive mode [16]. Sphingolipids were quantified using a Zorbax Rapid Resolution RRHD C18 Column (80 Å, 1.8 µm, 2.1 mm × 100 mm).

LC-HRMS Method for Semi-Targeted Metabolomic Analysis

LC-HRMS analysis was performed on an Agilent 1290 Affinity II HPLC system coupled to an Agilent 6550 iFunnel QTOF mass spectrometer equipped with a dual AJS electrospray ionization source operating in both positive and negative modes. Polar metabolite screening was conducted using a SeQuant® ZIC®-pHILIC 5 µm polymer 100 × 2.1 mm column.

Funding

The research leading to these results has received funding from the Spanish Ministry of Science and Innovation MCIN/AEI/ 10.13039/501100011033, Grants CTQ2017-82598-P and CEX2018-000794-S. The authors also want to grant support from the Catalan Agency for Management of University and Research Grants (AGAUR, Grant 2017SGR753). Miriam Pérez-Cova acknowledges a predoctoral FPU 16/02640 scholarship from the Spanish Ministry of Education and Vocational Training (MEFP), and Post-graduate department from CSIC for the funding of the research stay in Karolinska Institute, via the award to best outreach video in the YoInvestigoYosoyCsic contest, 2019 edition.