Publications

Quality assurance and quality control reporting in untargeted metabolic phenotyping: mQACC recommendations for analytical quality management.
Kirwan JA, Gika H, Beger RD, Bearden D, Dunn WB, Goodacre R, Theodoridis G, Witting M, Yu LR, Wilson ID; metabolomics Quality Assurance and Quality Control Consortium (mQACC). Metabolomics. 2022 Aug 27;18(9):70. doi: 10.1007/s11306-022-01926-3. PMID: 36029375

Preanalytical Processing and Biobanking Procedures of Biological Samples for Metabolomics Research: A White Paper, Community Perspective (for "Precision Medicine and Pharmacometabolomics Task Group"-The Metabolomics Society Initiative).
Kirwan JA, Brennan L, Broadhurst D, Fiehn O, Cascante M, Dunn WB, Schmidt MA, Velagapudi V. Clin Chem. 2018 Aug;64(8):1158-1182. doi: 10.1373/clinchem.2018.287045. Epub 2018 Jun 19. PMID: 29921725

Deep Learning-Assisted Peak Curation for Large-Scale LC-MS Metabolomics.
Gloaguen Y, Kirwan JA, Beule D. Anal Chem. 2022 Mar 29;94(12):4930-4937. doi: 10.1021/acs.analchem.1c02220. Epub 2022 Mar 15. PMID: 35290737

Concepts and Software Package for Efficient Quality Control in Targeted Metabolomics Studies–MeTaQuaC
Kuhring M, Eisenberger A, Schmidt V, Kränkel N, Leistner DM, Kirwan J, Beule D. Anal Chem. 2020 Aug 4;92(15):10241-10245. doi: 10.1021/acs.analchem.0c00136. Epub 2020 Jul 16. PMID: 32603093.

Instrumental Drift in Untargeted Metabolomics: Optimizing Data Quality with Intrastudy QC Samples
Märtens, A., Holle, J., Mollenhauer, B., Wegner, A., Kirwan, J., & Hiller, K. (2023). Metabolites, 13(5), 665.

Serum Starvation Accelerates Intracellular Metabolism in Endothelial Cells.
Lorenz M, Fritsche-Guenther R, Bartsch C, Vietzke A, Eisenberger A, Stangl K, Stangl V, Kirwan JA. Int J Mol Sci. 2023 Jan 7;24(2):1189. doi: 10.3390/ijms24021189. PMID: 36674708

Exercise blood-drop metabolic profiling links metabolism with perceived exertion.
Opialla T, Gollasch B, Kuich PHJL, Klug L, Rahn G, Busjahn A, Spuler S, Boschmann M, Kirwan JA, Luft FC, Kempa S. Front Mol Biosci. 2022 Dec 21;9:1042231. doi: 10.3389/fmolb.2022.1042231. eCollection 2022. PMID: 36619172

Inflammation in Children with CKD Linked to Gut Dysbiosis and Metabolite Imbalance.
Holle J, Bartolomaeus H, Löber U, Behrens F, Bartolomaeus TUP, Anandakumar H, Wimmer MI, Vu DL, Kuhring M, Brüning U, Maifeld A, Geisberger S, Kempa S, Schumacher F, Kleuser B, Bufler P, Querfeld U, Kitschke S, Engler D, Kuhrt LD, Drechsel O, Eckardt KU, Forslund SK, Thürmer A, McParland V, Kirwan JA, Wilck N, Müller D. J Am Soc Nephrol. 2022 Dec;33(12):2259-2275. doi: 10.1681/ASN.2022030378. Epub 2022 Aug 19. PMID: 35985814

Single cell metabolism: current and future trends.
Ali A, Davidson S, Fraenkel E, Gilmore I, Hankemeier T, Kirwan JA, Lane AN, Lanekoff I, Larion M, McCall LI, Murphy M, Sweedler JV, Zhu C. Metabolomics. 2022 Oct 1;18(10):77. doi: 10.1007/s11306-022-01934-3. PMID: 36181583

Quantifying the impact of gut microbiota on inflammation and hypertensive organ damage.
Avery EG, Bartolomaeus H, Rauch A, Chen CY, N'Diaye G, Löber U, Bartolomaeus TUP, Fritsche-Guenther R, Rodrigues AF, Yarritu A, Zhong C, Fei L, Tsvetkov D, Todiras M, Park JK, Markó L, Maifeld A, Patzak A, Bader M, Kempa S, Kirwan JA, Forslund SK, Müller DN, Wilck N. Cardiovasc Res. 2022 Jul 29:cvac121. doi: 10.1093/cvr/cvac121. Online ahead of print. PMID: 35904261

A Comparison of Solvent-Based Extraction Methods to Assess the Central Carbon Metabolites in Mouse Bone and Muscle.
Dias DB, Fritsche-Guenther R, Gutmann F, Duda GN, Kirwan J, Poh PSP. Metabolites. 2022 May 18;12(5):453. doi: 10.3390/metabo12050453. PMID: 35629956

Identification and validation of small molecule analytes in mouse plasma by liquid chromatography-tandem mass spectrometry: A case study of misidentification of a short-chain fatty acid with a ketone body.
García-Rivera MA, Fernández-Ochoa Á, Brüning U, Fritsche-Guenther R, Kirwan JA. Talanta. 2022 May 15;242:123298. doi: 10.1016/j.talanta.2022.123298. Epub 2022 Feb 9. PMID: 35193012

Analysis of adherent cell culture lysates with low metabolite concentrations using the Biocrates AbsoluteIDQ p400 HR kit.
Fritsche-Guenther R, Gloaguen Y, Eisenberger A, Kirwan JA. Sci Rep. 2022 May 13;12(1):7933. doi: 10.1038/s41598-022-11118-7. PMID: 35562573

Optimized Workflow for On-Line Derivatization for Targeted Metabolomics Approach by Gas Chromatography-Mass Spectrometry.
Fritsche-Guenther R, Gloaguen Y, Bauer A, Opialla T, Kempa S, Fleming CA, Redmond HP, Kirwan JA. Metabolites. 2021 Dec 18;11(12):888. doi: 10.3390/metabo11120888. PMID: 34940646

An integrated host-microbiome response to atrazine exposure mediates toxicity in Drosophila.
Brown JB, Langley SA, Snijders AM, Wan KH, Morris SNS, Booth BW, Fisher WW, Hammonds AS, Park S, Weiszmann R, Yu C, Kirwan JA, Weber RJM, Viant MR, Mao JH, Celniker SE. Commun Biol. 2021 Nov 24;4(1):1324. doi: 10.1038/s42003-021-02847-y. PMID: 34819611

Lipid Metabolite Biomarkers in Cardiovascular Disease: Discovery and Biomechanism Translation from Human Studies.
McGranaghan P, Kirwan JA, Garcia-Rivera MA, Pieske B, Edelmann F, Blaschke F, Appunni S, Saxena A, Rubens M, Veledar E, Trippel TD. Metabolites. 2021 Sep 14;11(9):621. doi: 10.3390/metabo11090621. PMID: 34564437

Correlation of NUCB2/Nesfatin-1 with Cytokine Levels in Primary Open-Angle Glaucoma.
Pahlitzsch M, Fritsche-Guenther R, Pompös I, Pohlmann D, Maier AB, Winterhalter S, Erb C, Rübsam A. Clin Ophthalmol. 2021 Jun 16;15:2505-2517. doi: 10.2147/OPTH.S307379. eCollection 2021. PMID: 34163135

Improvement in the Prediction of Neonatal Hypoxic-Ischemic Encephalopathy with the Integration of Umbilical Cord Metabolites and Current Clinical Makers.
O'Boyle DS, Dunn WB, O'Neill D, Kirwan JA, Broadhurst DI, Hallberg B, Boylan GB, Murray DM. J Pediatr. 2021 Feb;229:175-181.e1. doi: 10.1016/j.jpeds.2020.09.065. Epub 2020 Oct 8. PMID: 33039387

Progression-Dependent Altered Metabolism in Osteosarcoma Resulting in Different Nutrient Source Dependencies.
Fritsche-Guenther R, Gloaguen Y, Kirchner M, Mertins P, Tunn PU, Kirwan JA. Cancers (Basel). 2020 May 27;12(6):1371. doi: 10.3390/cancers12061371. PMID: 32471029

Sex-specific metabolic and functional differences in human umbilical vein endothelial cells from twin pairs.
Lorenz M, Blaschke B, Benn A, Hammer E, Witt E, Kirwan J, Fritsche-Guenther R, Gloaguen Y, Bartsch C, Vietzke A, Kramer F, Kappert K, Brunner P, Nguyen HG, Dreger H, Stangl K, Knaus P, Stangl V. Atherosclerosis. 2019 Dec;291:99-106. doi: 10.1016/j.atherosclerosis.2019.10.007. Epub 2019 Oct 10. PMID: 31706078

Modified Protocol of Harvesting, Extraction, and Normalization Approaches for Gas Chromatography Mass Spectrometry-Based Metabolomics Analysis of Adherent Cells Grown Under High Fetal Calf Serum Conditions.
Fritsche-Guenther R, Bauer A, Gloaguen Y, Lorenz M, Kirwan JA. Metabolites. 2019 Dec 18;10(1):2. doi: 10.3390/metabo10010002. PMID: 31861324

Biobanking for Metabolomics and Lipidomics in Precision Medicine.
Kirwan JA, Kaddurah-Daouk R, Mitchell T, Pischon T, Schmidt MA, Velagapudi V. Clin Chem. 2019 Jul;65(7):827-832. doi: 10.1373/clinchem.2018.298620. Epub 2019 May 14. PMID: 31088785

SorCS2 Controls Functional Expression of Amino Acid Transporter EAAT3 and Protects Neurons from Oxidative Stress and Epilepsy-Induced Pathology.
Malik AR, Szydlowska K, Nizinska K, Asaro A, van Vliet EA, Popp O, Dittmar G, Fritsche-Guenther R, Kirwan JA, Nykjaer A, Lukasiuk K, Aronica E, Willnow TE. Cell Rep. 2019 Mar 5;26(10):2792-2804.e6. doi: 10.1016/j.celrep.2019.02.027. PMID: 30840898

Untargeted metabolomic analysis and pathway discovery in perinatal asphyxia and hypoxic-ischaemic encephalopathy.
Denihan NM, Kirwan JA, Walsh BH, Dunn WB, Broadhurst DI, Boylan GB, Murray DM. J Cereb Blood Flow Metab. 2019 Jan;39(1):147-162. doi: 10.1177/0271678X17726502. Epub 2017 Aug 25. PMID: 2884077