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measured with the lipidomic analysis protocol were annotated according to in silico MS/MS matches with the lipid database embedded in MS-DIAL. The specified criteria for peak picking were a maximal 0.01 Da difference in accurate mass (for both MS1 and MS2 levels) and a minimal 1e3 signal intensity. Annotated lipids exhibiting poor peak shapes, abnormally high mass difference (&gt; 5 ppm deviation from theoretical mass) or low signal-to-noise (i.e. below 3) were excluded. Only one adduct per lipid species was retained, and the only adducts represented in the curated dataset were [M+H]+, [M+H-H2O]+ and [M+NH4]+. The m/z vs. RT visualization of MS-DIAL was used to verify that the retention of annotated features followed the equivalent carbon rule commonly accepted for lipids.</p>MetaboLightsPublicLiquid Chromatography MS - positive - reverse phase<p>Analytical measurements were performed on a Vanquish Horizon UHPLC system (Thermo Fisher Scientific Inc.). Lipidomic analysis was performed with reversed-phased liquid chromatography (RPLC). The analytical column was an Acquity Premier BEH C18 with dimensions 2.1 x 100 mm, 1.7 µm particle size and 130 Å pore size (Waters Corp.) equipped with a 5 mm guard column. Solvent A was acetonitrile / water (60:40, v/v) with 10 mM ammonium acetate. Solvent B was isopropanol / acetonitrile (90:10, v/v) with 10 mM ammonium acetate. All solvents were LC-MS grade (Fisher Optima). Mobile phase B was ramped up from 20% to 50% in 3 min, then up to 85% at 10 min, and to 97% 15 min. Mobile phase composition was then return to initial conditions for 4 minutes, resulting in a total run time of 19 min. The flow rate was 0.4 mL/min and the column temperature was set at 50°C. The injection volume was 2 µL.</p>Neurotoxicity of Propylene Glycol Butyl Ether: Multiomic Evidence from Human BrainSpheres. 10.1101/2025.05.22.655411.Isabel MeisterMathieu GALMICHEUniversity of GenevahiPSC cellGrowth Mediummass spectrometry assay<p>Brain Spheres in 1.5 mL Eppendorfs were first washed in 1 mL ammonium acetate (150 mM in water) to remove traces of culture medium. The wash solution was removed after gravity sedimentation of Brain Spheres and 1 mL methanol / water (8:2, v/v) containing 1 µM CHES (Sigma-Aldrich) as technical internal standard was added for polar metabolomics extraction. The pellet obtained after metabolite extraction, containing lipids, was resuspended in 1 mL isopropanol containing 1 µM LPC 18:1-d7 (Sigma-Aldrich) as technical internal standard. Ultrasonication was performed similarly for 5 cycles at 45 % amplitude to re-homogenize the pellet. Samples were then shaken in a ThermoMixer (Eppendorf SE) for 15 minutes at 1200 rpm and 4°C and centrifuged at 14000 g for 15 minutes at 4°C. The supernatant was collected and evaporated to dryness.</p><p>On the day of analysis, dry extracts were reconstituted&nbsp;in 250 µL methanol (100 %) containing 1 µM Cer 18:1-d7/15:0 (Sigma-Aldrich). Recovery was enhanced by vortexing samples for 10 seconds and shaking them at 1200 rpm and 4°C for 15 minutes. Samples were then placed in the freezer overnight to trigger the precipitation of potential particles. After centrifugation (14000 g, 4°C, 15 min), 50µL of each sample was pooled for constituting QC samples.</p>blankHomo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS12921Mathieu Galmiche. University of Geneva. Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO), Rue Michel-Servet 1, 1211 Geneva 4, Switzerland. mathieu.galmiche@unige.ch. +41 22 379 68 94.Isabel Meister. University of Geneva. Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO), Rue Michel-Servet 1, 1211 Geneva 4, Switzerland. isabel.meister@unige.ch.Serge Rudaz. University of Geneva. Institute of Pharmaceutical Sciences of Western Switzerland (ISPSO). Serge.Rudaz@unige.ch. +41223796572.<p>The instrumental drift was corrected with an R-based LOESS regression algorithm . After drift correction, features displaying a CV higher than 20% on pooled QCs and/or a D-ratio higher than 40 were excluded from the dataset. Additionally, features with more than 33% missingness (defined as peak area below the limit of detection, i.e. 3 times the peak area measured in the blank) in samples, and/or more than 10% of missingness in pooled QCs, were also excluded. Finally, to account for differences in total cellular material in the samples, Probabilistic Quotient Normalization (PQN) was performed on both metabolomics and lipidomics using an in-house platform.</p>Exposure solventExposure doseTreatmentExposure timemathieu.galmiche@ki.seisabel.meister@unige.ch<p>Neural progenitor cells (NPCs) were generated through embryoid body formation from induced pluripotent stem cells (iPSCs), themselves derived from human CCD-1079Sk fibroblasts (ATCC® CRL-2097) using Epstein–Barr virus-based vectors, as previously described (Wen et al., 2014). NPCs were then grown and amplified in cell culture flasks coated with Geltrex® in Neural Expansion Medium. Cell passages were performed at 90% confluency. <strong>BSs</strong> were then prepared from the NPCs as previously described (Pamies et al., 2017). At 95 % of NPCs confluency, cells were washed with Dulbecco's Phosphate Buffered Saline (DPBS) and detached from the flasks using StemPro Accutase Cell Dissociation Reagent (GIBCO) for 2-3 min. 2x106 cells per well were plated in 2 mL of NEM in non-treated six-well plates. The plates were placed in an incubator at 37ºC and 5% CO2 under constant gyratory shaking (Kuhner orbital plate shaker, 88 rpm) allowing cell aggregation. After two days, cell medium was changed to differentiation medium consisting of Neurobasal Electro Medium, 1% Glutamax (Gibco), 2% B27/Neurobasal Electro, 0.01 μg/mL BDNF (PeproTech), 0.01 μg/mL GDNF (PeproTech) and 1% Penicillin-Streptomycin (10,000 U/mL). Medium changes with NDM were effectuated three times a week and cultures were kept until 8 weeks.</p><p><br></p><p>BSs were exposed to propylene glycol butyl ether (<strong>PGBE</strong>, CAS 5131-66-8), to its metabolite 2-butoxypropionic acid (<strong>2BPA</strong>, CAS 14620-87-2), or to cuprizone (<strong>CUP</strong>, CAS 370-81-0). Seven-week-old BSs were exposed either one time and collected after 24h or 48h (24/48h) (acute exposure) or exposed repeatedly at each medium change, i.e., three times, during one week (1W) and collected at the end of the week, to 5, 10 or 20 mM of PGBE and 2BPA. Untreated BSs were used as controls.</p>Metabolomicsultra-performance liquid chromatography-mass spectrometrypropylene glycol butyl etheriPSC derived cell lineLipidomicsultra-performance liquid chromatography-mass spectrometrypropylene glycol butyl etheriPSC derived cell lineLipidomics<p>Analytical measurements were performed on an Exploris 120 Mass Spectrometer (Thermo Fisher Scientific Inc.) equipped with a heated electrospray (HESI) source. MS source parameters were the following: spray voltage = + 3.4 kV, transfer tube temperature = 340°C, sheath gas flow = 55 AU, auxiliary gas flow = 13 AU, sweep gas flow = 2 AU. MS1 spectra were acquired as centroid data in full scan mode, from 220 to 1200 m/z, with 60k resolution at 200 m/z and AGC at 100%. MS2 centroid data were acquired in data-dependent mode by fragmentation of the four most intense MS1 singly charged ions (Top4). The intensity threshold was set at 2e4 for precursor fragmentation and there was a 2 second dynamic exclusion of previously fragmented precursor ions within a 10-ppm tolerance. The isolation window was set at 0.9 m/z, the collision energy at 20 eV, and the resolution was 15k at 200 m/z. An exclusion list was prepared using a solvent blank injection to exclude contaminants from the selection of MS1 ions to be fragmented.</p>TG 52:2;2O|TG 16:0_18:0_18:2;2OPC 31:2PC 50:4|PC 16:0_34:4TG 60:4|TG 18:0_18:1_24:3DG 38:4|DG 18:1_20:3TG 72:8|TG 18:1_18:1_36:6PS 40:4|PS 18:0_22:4TG 54:4|TG 18:1_18:1_18:2PE 32:2|PE 16:1_16:1PC O-32:1PC O-32:0DG 32:2|DG 16:0_16:2PC O-32:3PC O-32:2PC O-32:4PE 38:5PE 38:4PE 38:3PE 38:8BMP 44:10|BMP 22:4_22:6PC 40:2|PC 18:1_22:1PE 38:7PE 38:6PE P-35:1|PE P-17:0_18:1PE P-40:4|PE P-18:0_22:4TG 68:7|TG 16:0_18:1_34:6PC 40:6|PC 18:0_22:6TG 58:3|TG 16:0_18:0_24:3TG 62:9|TG 18:0_22:4_22:5TG 58:5|TG 18:0_18:1_22:4PC 40:4|PC 18:1_22:3TG 70:6|TG 16:0_18:1_36:5DG 32:1|DG 16:0_16:1TG 68:5|TG 16:0_18:1_34:4TG 52:2|TG 16:0_18:1_18:1SM 40:0;2OPC 42:1PC 42:2PE 36:4|PE 16:0_20:4PC 42:5PC 42:6PC 36:2|PC 18:0_18:2TG 58:3|TG 18:0_18:1_22:2PC 42:3PC 42:4PC 42:9TG O-54:4|TG O-16:0_16:1_22:3PC 42:8PE 36:2|PE 16:0_20:2TG 48:2|TG 14:0_16:1_18:1TG O-52:3|TG 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56:6|TG 18:1_18:2_20:3TG 58:9|TG 16:0_20:3_22:6DG 34:1|DG 16:0_18:1DG O-40:4|DG O-18:0_22:4PE P-38:0|PE P-18:0_20:0PE 34:3|PE 16:1_18:2PC 40:3|PC 18:0_22:3PE P-32:2|PE P-16:0_16:2PE 42:4|PE 20:1_22:3PC O-36:5PC O-36:4PE 32:2|PE 16:0_16:2LPE 20:4TG 49:3|TG 15:0_18:1_16:2PE 32:0|PE 14:0_18:0TG 44:1|TG 12:0_14:0_18:1PC O-36:1PC O-36:3PC O-36:2SM 32:0;2OTG 56:9|TG 18:1_16:2_22:6TG O-48:0|TG O-18:0_14:0_16:0PC 42:3|PC 18:0_24:3PE P-38:6|PE P-16:0_22:6CAR 16:0TG 53:4|TG 17:1_18:1_18:2TG 52:8|TG 16:1_16:3_20:4HexCer 32:1;2OPE 34:2|PE 16:0_18:2BMP 38:5|BMP 18:1_20:4TG O-54:4|TG O-18:1_16:0_20:3PE O-40:5PE P-39:4|PE P-17:0_22:4BMP 44:10|BMP 22:5_22:5PS 42:4PS 42:5TG 62:14|TG 20:4_20:4_22:6PS 42:6PS 42:7DG 34:3|DG 18:1_16:2PS 42:8PS 42:9PC 52:5|PC 18:1_34:4PC 40:4|PC 18:0_22:4TG O-48:2|TG O-18:1_14:0_16:1PS 34:1|PS 18:0_16:1BMP 38:4|BMP 18:1_20:3BMP 44:11|BMP 22:5_22:6TG 52:5|TG 18:1_16:2_18:2SM 34:1;2O|SM 18:1;2O/16:0TG 46:2|TG 14:0_16:0_16:2TG O-48:3|TG O-16:1_16:1_16:1PE P-42:5|PE 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14:0_16:2_22:6TG 70:9|TG 16:0_20:3_34:6DG 40:4|DG 18:0_22:4TG 60:14|TG 16:2_22:6_22:6TG 60:12|TG 16:2_22:4_22:6TG 51:2|TG 16:0_17:1_18:1PE P-38:5|PE P-16:0_22:5TG 50:0|TG 16:0_16:0_18:0TG 52:2;2O|TG 16:0_18:2_18:0;2OPC 17:0PE 38:4|PE 18:0_20:4TG O-54:2|TG O-18:1_16:0_20:1PC 58:12PE 35:1|PE 17:0_18:1PE P-36:4|PE P-16:0_20:4PC 40:5|PC 20:1_20:4TG O-46:2|TG O-12:0_16:0_18:2PE 40:1|PE 18:0_22:1PC 42:7|PC 22:3_20:4TG 44:0|TG 14:0_14:0_16:0BMP 34:3|BMP 18:1_16:2DG 42:5|DG 18:1_24:4PE P-42:3|PE P-18:1_24:2PE P-42:6|PE P-18:0_24:6PC 38:4|PC 18:1_20:3DG O-38:7|DG O-16:1_22:6Hex2Cer 42:2;2O|Hex2Cer 18:1;2O/24:1TG 53:0|TG 17:0_18:0_18:0Cer 40:2;2O|Cer 18:1;2O/22:1PE 30:1DG 38:0|DG 18:0_20:0PS 36:2|PS 18:1_18:1PC 54:10|PC 20:4_34:6DG 42:4|DG 20:1_22:3PI 40:6NAE 16:0LPC 22:1/0:0PI 40:5PE O-32:0PI 40:4PI 40:3PC 28:2PC 28:1PE 30:2PC 42:10|PC 20:4_22:6TG 58:10|TG 16:2_20:3_22:5PS 34:3PS 34:2DG 35:0|DG 17:0_18:0BMP 42:8|BMP 20:3_22:5TG O-58:4|TG O-18:0_18:1_22:3TG 48:5|TG 14:1_16:1_18:3CAR 22:0TG 42:2|TG 12:0_14:0_16:2DG 40:5|DG 18:1_22:4DG 40:7|DG 18:1_22:6TG 56:2|TG 18:0_18:1_20:1PC 38:4|PC 18:0_20:4SM 42:1;2OLPC 20:0/0:0PE P-37:4|PE P-17:0_20:4TG 48:4|TG 16:1_16:1_16:2Cer 36:2;2O|Cer 18:2;2O/18:0PE P-32:0|PE P-16:0_16:0PS 44:11TG O-44:1|TG O-12:0_16:0_16:1PS 38:4|PS 18:0_20:4TG 44:2|TG 14:0_14:1_16:1HexCer 34:1;2O|HexCer 18:1;2O/16:0BMP 38:6|BMP 18:2_20:4TG O-60:7|TG O-18:1_20:3_22:3PE 21:4TG 50:1|TG 16:0_16:0_18:1PE P-40:3|PE P-18:1_22:2Cer 40:0;2O|Cer 18:0;2O/22:0PE 36:3|PE 18:1_18:2DG 38:5|DG 16:0_22:5DG O-38:5|DG O-16:1_22:4PC 34:4|PC 16:2_18:2TG 72:7|TG 16:0_18:1_38:6PC 26:0PC 50:5|PC 16:1_34:4PE 32:3PC 32:1|PC 16:0_16:1PE 32:1PS 42:10DG 39:3|DG 18:0_21:3DG 36:3|DG 18:1_18:2TG O-50:2|TG O-18:0_16:0_16:2PC 48:4|PC 16:0_32:4DG 36:4|DG 16:0_20:4PC 36:3|PC 18:1_18:2TG 62:6|TG 18:0_20:3_24:3PS 32:1PS 32:0LPC 28:1TG 56:3|TG 18:0_18:1_20:2TG O-48:3|TG O-16:1_16:0_16:2TG 56:11|TG 16:2_20:4_20:5TG 55:1|TG 16:0_23:0_16:1PE 38:2|PE 18:0_20:2PC 33:0|PC 16:0_17:0TG 42:1|TG 12:0_14:0_16:1PC 36:4|PC 18:2_18:2TG 52:4|TG 16:1_18:1_18:2PI 40:8TG 52:1|TG 16:0_18:0_18:1PI 40:7DG 38:4|DG 18:0_20:4PC 34:4|PC 14:0_20:4TG O-52:0|TG O-18:0_16:0_18:0PC 48:3TG 40:1|TG 10:0_12:0_18:1PC 48:7PC 48:6LPC 20:1/0:0PE 34:3|PE 18:1_16:2PE P-32:1|PE P-16:0_16:1PE P-34:4|PE P-14:0_20:4TG 50:2;2O|TG 16:0_16:0_18:2;2OPC O-28:0PC 35:2PC 35:0TG O-46:0|TG O-16:0_14:0_16:0PE 23:1TG O-50:0|TG O-16:0_16:0_18:0PC 40:7|PC 18:1_22:6TG O-58:10|TG O-18:2_20:4_20:4TG 54:5|TG 18:1_18:2_18:2TG 50:1;1O|TG 16:0_16:0_18:1;1OPE P-40:1|PE P-18:0_22:1TG O-44:0|TG O-12:0_16:0_16:0PE O-36:1HexCer 42:2;2O|HexCer 18:1;2O/24:1PS 46:12PE 34:4PC 30:1|PC 14:0_16:1PS 38:6PE P-38:2|PE P-18:1_20:1PS 38:5PS 38:4PS 38:2PC 42:4|PC 20:1_22:3Cer 42:0;2O|Cer 18:0;2O/24:0TG 48:2|TG 16:0_16:0_16:2TG 53:2|TG 17:0_18:1_18:1DG 40:6|DG 18:0_22:6LPC 22:3TG 51:0|TG 16:0_17:0_18:0BMP 42:10|BMP 20:4_22:6PC 36:5|PC 16:2_20:3PE 32:1|PE 16:0_16:1Cer 38:1;2O|Cer 18:1;2O/20:0TG 62:8|TG 18:0_20:3_24:5TG 60:5|TG 18:1_20:1_22:3PE P-40:4|PE P-18:1_22:3PC 46:5DG 36:1|DG 18:0_18:1PE 40:4|PE 18:0_22:4PC 46:3TG 52:0|TG 16:0_18:0_18:0PC 46:4LPE 18:0PC O-41:9TG 54:6|TG 16:1_18:1_20:4TG O-54:1|TG O-18:0_16:0_20:1DG 33:0|DG 16:0_17:0PC 32:4|PC 16:2_16:2TG 58:7|TG 16:0_18:1_24:6PC 34:1|PC 16:0_18:1PC 33:2TG 56:5|TG 18:0_18:1_20:4PE P-36:0|PE P-16:0_20:0TG 60:10|TG 16:0_22:4_22:6TG O-46:1|TG O-12:0_16:0_18:1TG O-58:7|TG O-18:1_20:3_20:3PE O-34:0DG 38:2|DG 18:0_20:2TG 52:6|TG 16:1_18:2_18:3TG 60:11|TG 18:1_20:4_22:6PE 36:6NAE 14:1TG 51:4|TG 16:1_17:1_18:2PE 36:5PE 36:4PC 42:6|PC 18:0_24:6NAE 14:0TG 54:3|TG 16:0_18:0_20:3PS 36:4PS 36:3TG 44:4|TG 12:0_16:2_16:2PS 36:1TG 42:0|TG 12:0_14:0_16:0TG 56:4|TG 18:0_18:1_20:3TG 54:10|TG 16:2_18:3_20:5PE P-34:1|PE P-18:1_16:0PS 40:3|PS 18:0_22:3DG 42:4|DG 18:0_24:4PC 50:7|PC 16:1_34:6TG 55:4|TG 16:0_18:1_21:3LPE 27:0PE 38:4|PE 18:1_20:3TG 54:8|TG 16:0_16:2_22:6PC 44:4PC 44:2PC 36:1|PC 18:0_18:1DG O-38:4|DG O-16:1_22:3PC 44:5TG 52:3|TG 16:0_18:1_18:2PC 44:6Cer 32:0;2O|Cer 18:0;2O/14:0TG 48:3|TG 14:0_16:1_18:2PE P-40:5|PE P-18:1_22:4TG 51:1|TG 16:0_17:0_18:1TG O-54:5|TG O-18:2_16:0_20:3falseNeurotoxicity of Propylene Glycol Butyl Ether: Multiomic Evidence from Human BrainSpheres<p>Exposure to solvents may contribute to the development of neurodevelopmental and neurodegenerative diseases. Glycol ethers consist in a widely used class of organic solvents leading to workers and consumers exposure via many different applications. Ethylene glycol ethers are gradually being replaced by propylene glycol ethers thought to be less toxic. However, their neurotoxicity is not systematically assessed prior to placing them on the market. Therefore, this study investigated the potential neurotoxicity of propylene glycol butyl ether (PGBE) for which no official occupational limit has been established. To this aim, new approach methodologies have been used. Human induced pluripotent stem cells-derived BrainSpheres model was exposed to PGBE and to its main metabolite, 2-butoxypropanoic acid (2BPA). An integrative multiomic approach (transcriptomics, proteomics, metabolomics and lipidomics) was adopted to assess molecular alterations, derive benchmark concentrations and define potential mechanisms of action. PGBE was neurotoxic at occupationally relevant exposure concentrations. This was shown for the first time in human cells. And, although PGBE was more cytotoxic than 2BPA, both compounds showed very similar neurotoxicity. PGBE and 2BPA strongly affected the cell cycle, induced oxidative stress and perturbed energy and lipid metabolism. They also targeted specific nervous system processes, such as axon guidance and synapse organization. Finally, 2BPA may trigger ferroptosis by increased iron uptake. Our results show an urgent need for public health authorities to carefully assess the risk glycol ethers pose to humans, to properly protect the workers as well as individuals in the general population unknowingly exposed from indoor air contaminations.</p>2026-08-252025-09-01MTBLS12921CAR 16:0CAR 18:1CAR 18:0CAR 22:0Cer 32:1;2O|Cer 18:1;2O/14:0Cer 32:0;2O|Cer 18:0;2O/14:0Cer 34:1;2O|Cer 18:1;2O/16:0Cer 36:2;2O|Cer 18:1;2O/18:1Cer 36:2;2O|Cer 18:2;2O/18:0Cer 34:0;2O|Cer 18:0;2O/16:0Cer 36:1;2O|Cer 18:1;2O/18:0Cer 36:0;2O|Cer 18:0;2O/18:0Cer 38:1;2O|Cer 20:1;2O/18:0Cer 37:1;2O|Cer 19:1;2O/18:0Cer 40:2;2O|Cer 18:1;2O/22:1Cer 42:3;2O|Cer 18:1;2O/24:2Cer 38:1;2O|Cer 18:1;2O/20:0Cer 44:4;2O|Cer 18:1;2O/26:3Cer 42:3;2O|Cer 18:2;2O/24:1Cer 38:0;2O|Cer 18:0;2O/20:0Cer 42:2;2O|Cer 18:1;2O/24:1Cer 44:2;3O|Cer 18:2;2O/26:0;OCer 40:1;2O|Cer 18:1;2O/22:0Cer 40:0;2O|Cer 18:0;2O/22:0Cer 43:0;4OCer 44:2;2O|Cer 18:1;2O/26:1Cer 42:1;2O|Cer 18:1;2O/24:0Cer 42:0;2O|Cer 18:0;2O/24:0CoQ10