Publications
2024
Metabolomics Simultaneously Derives Benchmark Dose Estimates and Discovers Metabolic Biotransformations in a Rat Bioassay.
Sostare, E., Bowen, T. J., Lawson, T. N., Freier, A., Li, X., Lloyd, G. R., . . . Viant, M. R. (2024). Metabolomics Simultaneously Derives Benchmark Dose Estimates and Discovers Metabolic Biotransformations in a Rat Bioassay.. Chemical research in toxicology, 37(6), 923-934. doi:10.1021/acs.chemrestox.4c00002
Protein-Centric Analysis of Personalized Antibody Repertoires Using LC-MS-Based Fab-Profiling on a timsTOF.
Fiala, J., Schuster, D., Ollivier, S., Pengelley, S., Lubeck, M., Busch, F., . . . Heck, A. J. R. (2024). Protein-Centric Analysis of Personalized Antibody Repertoires Using LC-MS-Based Fab-Profiling on a timsTOF.. Journal of the American Society for Mass Spectrometry, 35(6), 1292-1300. doi:10.1021/jasms.4c00076
Fast and Accurate Disulfide Bridge Detection.
Heissel, S., He, Y., Jankevics, A., Shi, Y., Molina, H., Viner, R., & Scheltema, R. A. (2024). Fast and Accurate Disulfide Bridge Detection.. Molecular & cellular proteomics : MCP, 23(5), 100759. doi:10.1016/j.mcpro.2024.100759
Thrombin activation of the factor XI dimer is a multistaged process for each subunit.
Bar Barroeta, A., Albanese, P., Kadavá, T., Jankevics, A., Marquart, J. A., Meijers, J. C. M., & Scheltema, R. A. (2024). Thrombin activation of the factor XI dimer is a multistaged process for each subunit.. Journal of thrombosis and haemostasis : JTH, 22(5), 1336-1346. doi:10.1016/j.jtha.2023.12.038
Bilateral remote ischemic conditioning in children: A two-center, double-blind, randomized controlled trial in young children undergoing cardiac surgery.
Drury, N. E., van Doorn, C., Woolley, R. L., Amos-Hirst, R. J., Bi, R., Spencer, C. M., . . . Bilateral Remote Ischemic Conditioning in Children Trial Investigators. (2024). Bilateral remote ischemic conditioning in children: A two-center, double-blind, randomized controlled trial in young children undergoing cardiac surgery.. JTCVS open, 18, 193-208. doi:10.1016/j.xjon.2024.02.018
Lipidome characterisation and sex-specific differences in type 1 and type 2 diabetes mellitus.
Barranco-Altirriba, M., Alonso, N., Weber, R. J. M., Lloyd, G. R., Hernandez, M., Yanes, O., . . . Mauricio, D. (2024). Lipidome characterisation and sex-specific differences in type 1 and type 2 diabetes mellitus.. Cardiovascular diabetology, 23(1), 109. doi:10.1186/s12933-024-02202-5
2023
Combination of deep XLMS with deep learning reveals an ordered rearrangement and assembly of a major protein component of the vaccinia virion.
Mirzakhanyan, Y., Jankevics, A., Scheltema, R. A., & Gershon, P. D. (2023). Combination of deep XLMS with deep learning reveals an ordered rearrangement and assembly of a major protein component of the vaccinia virion.. mBio, 14(5), e0113523. doi:10.1128/mbio.01135-23
Dysregulation of Amino Acid, Lipid, and Acylpyruvate Metabolism in Idiopathic Intracranial Hypertension: A Non-targeted Case Control and Longitudinal Metabolomic Study
Alimajstorovic, Z., Mollan, S. P., Grech, O., Mitchell, J. L., Yiangou, A., Thaller, M., . . . Sinclair, A. J. (2023). Dysregulation of Amino Acid, Lipid, and Acylpyruvate Metabolism in Idiopathic Intracranial Hypertension: A Non-targeted Case Control and Longitudinal Metabolomic Study. JOURNAL OF PROTEOME RESEARCH, 22(4), 1127-1137. doi:10.1021/acs.jproteome.2c00449
Invariant NKT cells metabolically adapt to the acute myeloid leukaemia environment.
Stavrou, V., Fultang, L., Booth, S., De Simone, D., Bartnik, A., Scarpa, U., . . . De Santo, C. (2023). Invariant NKT cells metabolically adapt to the acute myeloid leukaemia environment.. Cancer immunology, immunotherapy : CII, 72(3), 543-560. doi:10.1007/s00262-022-03268-4
MRPS36 provides a structural link in the eukaryotic 2-oxoglutarate dehydrogenase complex.
Hevler, J. F., Albanese, P., Cabrera-Orefice, A., Potter, A., Jankevics, A., Misic, J., . . . Heck, A. J. R. (2023). MRPS36 provides a structural link in the eukaryotic 2-oxoglutarate dehydrogenase complex.. Open biology, 13(3), 220363. doi:10.1098/rsob.220363
Oxonium Ion-Guided Optimization of Ion Mobility-Assisted Glycoproteomics on the timsTOF Pro.
Mukherjee, S., Jankevics, A., Busch, F., Lubeck, M., Zou, Y., Kruppa, G., . . . Reiding, K. R. (2023). Oxonium Ion-Guided Optimization of Ion Mobility-Assisted Glycoproteomics on the timsTOF Pro.. Molecular & cellular proteomics : MCP, 22(2), 100486. doi:10.1016/j.mcpro.2022.100486
2022
Oxidative stress from DGAT1 oncoprotein inhibition in melanoma suppresses tumor growth when ROS defenses are also breached.
Wilcock, D. J., Badrock, A. P., Wong, C. W., Owen, R., Guerin, M., Southam, A. D., . . . Hurlstone, A. F. L. (2022). Oxidative stress from DGAT1 oncoprotein inhibition in melanoma suppresses tumor growth when ROS defenses are also breached.. Cell reports, 39(12), 110995. doi:10.1016/j.celrep.2022.110995
2021
An improved strategy for analysis of lipid molecules utilising a reversed phase C<sub>30</sub> UHPLC column and scheduled MS/MS acquisition
Jankevics, A., Jenkins, A., Dunn, W. B., & Najdekr, L. (2021). An improved strategy for analysis of lipid molecules utilising a reversed phase C<sub>30</sub> UHPLC column and scheduled MS/MS acquisition. TALANTA, 229. doi:10.1016/j.talanta.2021.122262
struct: an R/Bioconductor-based framework for standardized metabolomics data analysis and beyond.
Lloyd, G. R., Jankevics, A., & Weber, R. J. M. (2021). struct: an R/Bioconductor-based framework for standardized metabolomics data analysis and beyond.. Bioinformatics (Oxford, England), 36(22-23), 5551-5552. doi:10.1093/bioinformatics/btaa1031
Species-Specific Variations in the Metabolomic Profiles of Acropora hyacinthus and Acropora millepora Mask Acute Temperature Stress Effects in Adult Coral Colonies
Sweet, M., Bulling, M., Varshavi, D., Lloyd, G. R., Jankevics, A., Najdekr, L., . . . Craggs, J. (n.d.). Species-Specific Variations in the Metabolomic Profiles of Acropora hyacinthus and Acropora millepora Mask Acute Temperature Stress Effects in Adult Coral Colonies. Frontiers in Marine Science, 8. doi:10.3389/fmars.2021.574292
Metabolic characterisation of disturbances in the <i>APOC3</i>/triglyceride-rich lipoprotein pathway through sample-based recall by genotype (vol 16, 69, 2020)
Corbin, L. J., Hughes, D. A., Chetwynd, A. J., Taylor, A. E., Southam, A. D., Jankevics, A., . . . Timpson, N. J. (2021). Metabolic characterisation of disturbances in the <i>APOC3</i>/triglyceride-rich lipoprotein pathway through sample-based recall by genotype (vol 16, 69, 2020). METABOLOMICS, 17(2). doi:10.1007/s11306-020-01765-0
Characterization of Monophasic Solvent-Based Tissue Extractions for the Detection of Polar Metabolites and Lipids Applying Ultrahigh-Performance Liquid Chromatography-Mass Spectrometry Clinical Metabolic Phenotyping Assays
Southam, A. D., Pursell, H., Frigerio, G., Jankevics, A., Weber, R. J. M., & Dunn, W. B. (2021). Characterization of Monophasic Solvent-Based Tissue Extractions for the Detection of Polar Metabolites and Lipids Applying Ultrahigh-Performance Liquid Chromatography-Mass Spectrometry Clinical Metabolic Phenotyping Assays. JOURNAL OF PROTEOME RESEARCH, 20(1), 831-840. doi:10.1021/acs.jproteome.0c00660
mzMLb: A Future-Proof Raw Mass Spectrometry Data Format Based on Standards-Compliant mzML and Optimized for Speed and Storage Requirements
Bhamber, R. S., Jankevics, A., Deutsch, E. W., Jones, A. R., & Dowsey, A. W. (2021). mzMLb: A Future-Proof Raw Mass Spectrometry Data Format Based on Standards-Compliant mzML and Optimized for Speed and Storage Requirements. JOURNAL OF PROTEOME RESEARCH, 20(1), 172-183. doi:10.1021/acs.jproteome.0c00192
2020
Assessment of human plasma and urine sample preparation for reproducible and high-throughput UHPLC-MS clinical metabolic phenotyping
Southam, A. D., Haglington, L. D., Najdekr, L., Jankevics, A., Weber, R. J. M., & Dunn, W. B. (2020). Assessment of human plasma and urine sample preparation for reproducible and high-throughput UHPLC-MS clinical metabolic phenotyping. ANALYST, 145(20), 6511-6523. doi:10.1039/d0an01319f
Metabolic engineering against the arginine microenvironment enhances CAR-T cell proliferation and therapeutic activity
Fultang, L., Booth, S., Yogev, O., da Costa, B. M., Tubb, V., Panetti, S., . . . De Santo, C. (2020). Metabolic engineering against the arginine microenvironment enhances CAR-T cell proliferation and therapeutic activity. BLOOD, 136(10), 1155-1160. doi:10.1182/blood.2019004500
DGAT1 is a lipid metabolism oncoprotein that enables cancer cells to accumulate fatty acid while avoiding lipotoxicity
Metabolic characterisation of disturbances in the<i>APOC3</i>/triglyceride-rich lipoprotein pathway through sample-based recall by genotype
Corbin, L. J., Hughes, D. A., Chetwynd, A. J., Taylor, A. E., Southam, A. D., Jankevics, A., . . . Timpson, N. J. (2020). Metabolic characterisation of disturbances in the<i>APOC3</i>/triglyceride-rich lipoprotein pathway through sample-based recall by genotype. METABOLOMICS, 16(6). doi:10.1007/s11306-020-01689-9
Multi-Omics Analysis of Diabetic Heart Disease in the <i>db/db</i> Model Reveals Potential Targets for Treatment by a Longevity-Associated Gene
Faulkner, A., Dang, Z., Avolio, E., Thomas, A. C., Batstone, T., Lloyd, G. R., . . . Madeddu, P. (2020). Multi-Omics Analysis of Diabetic Heart Disease in the <i>db/db</i> Model Reveals Potential Targets for Treatment by a Longevity-Associated Gene. CELLS, 9(5). doi:10.3390/cells9051283
mzMLb: a future-proof raw mass spectrometry data format based on standards-compliant mzML and optimized for speed and storage requirements
Bhamber, R., Jankevics, A., Deutsch, E., Jones, A., & Dowsey, A. (2020). mzMLb: a future-proof raw mass spectrometry data format based on standards-compliant mzML and optimized for speed and storage requirements. doi:10.1101/2020.02.13.947218
2017
RankProd 2.0: a refactored bioconductor package for detecting differentially expressed features in molecular profiling datasets
Del Carratore, F., Jankevics, A., Eisinga, R., Heskes, T., Hong, F., & Breitling, R. (2017). RankProd 2.0: a refactored bioconductor package for detecting differentially expressed features in molecular profiling datasets. BIOINFORMATICS, 33(17), 2774-2775. doi:10.1093/bioinformatics/btx292
2016
Algorithms for MS1-Based Quantitation
Liao, H., Phillips, A., Jankevics, A., & Dowsey, A. W. (2016). Algorithms for MS1-Based Quantitation. In Proteome Informatics (pp. 133-154). The Royal Society of Chemistry. doi:10.1039/9781782626732-00133
2015
Advanced LC-MS applications for identification and quantification of the metabolome
Jankevics, A., & Breitling, R. (2015). Advanced LC-MS applications for identification and quantification of the metabolome. In Advanced LC-MS Applications in Metabolomics (pp. 84-93). doi:10.2217/9781910419441.fseb2013.14.55
2014
MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach.
Daly, R., Rogers, S., Wandy, J., Jankevics, A., Burgess, K. E. V., & Breitling, R. (2014). MetAssign: probabilistic annotation of metabolites from LC-MS data using a Bayesian clustering approach.. Bioinformatics (Oxford, England), 30(19), 2764-2771. doi:10.1093/bioinformatics/btu370
2013
Metabolic adaptations of Leishmania donovani in relation to differentiation, drug resistance, and drug pressure.
Berg, M., Vanaerschot, M., Jankevics, A., Cuypers, B., Maes, I., Mukherjee, S., . . . Dujardin, J. -C. (2013). Metabolic adaptations of Leishmania donovani in relation to differentiation, drug resistance, and drug pressure.. Molecular microbiology, 90(2), 428-442. doi:10.1111/mmi.12374
Correction: Corrigendum: Serine is a natural ligand and allosteric activator of pyruvate kinase M2
Chaneton, B., Hillmann, P., Zheng, L., Martin, A. C. L., Maddocks, O. D. K., Chokkathukalam, A., . . . Gottlieb, E. (2013). Correction: Corrigendum: Serine is a natural ligand and allosteric activator of pyruvate kinase M2. Nature, 496(7445), 386. doi:10.1038/nature12075
mzMatch-ISO: an R tool for the annotation and relative quantification of isotope-labelled mass spectrometry data.
Chokkathukalam, A., Jankevics, A., Creek, D. J., Achcar, F., Barrett, M. P., & Breitling, R. (2013). mzMatch-ISO: an R tool for the annotation and relative quantification of isotope-labelled mass spectrometry data.. Bioinformatics (Oxford, England), 29(2), 281-283. doi:10.1093/bioinformatics/bts674
Bioanalysis Young Investigator Award 2013.
Saxena, N., Kolarich, D., Vivekanand Kulkarni, M., Jankevics, A., & Benton, C. (2013). Bioanalysis Young Investigator Award 2013.. Bioanalysis, 5(12), 1479-1484. doi:10.4155/bio.13.97
LC-MS metabolomics from study design to data-analysis - using a versatile pathogen as a test case.
Berg, M., Vanaerschot, M., Jankevics, A., Cuypers, B., Breitling, R., & Dujardin, J. -C. (2013). LC-MS metabolomics from study design to data-analysis - using a versatile pathogen as a test case.. Computational and structural biotechnology journal, 4, e201301002. doi:10.5936/csbj.201301002
2012
Serine is a natural ligand and allosteric activator of pyruvate kinase M2.
Chaneton, B., Hillmann, P., Zheng, L., Martin, A. C. L., Maddocks, O. D. K., Chokkathukalam, A., . . . Gottlieb, E. (2012). Serine is a natural ligand and allosteric activator of pyruvate kinase M2.. Nature, 491(7424), 458-462. doi:10.1038/nature11540
Stable isotope-assisted metabolomics for network-wide metabolic pathway elucidation.
Creek, D. J., Chokkathukalam, A., Jankevics, A., Burgess, K. E. V., Breitling, R., & Barrett, M. P. (2012). Stable isotope-assisted metabolomics for network-wide metabolic pathway elucidation.. Analytical chemistry, 84(20), 8442-8447. doi:10.1021/ac3018795
Metabolomics methods for the synthetic biology of secondary metabolism.
Nguyen, Q. -T., Merlo, M. E., Medema, M. H., Jankevics, A., Breitling, R., & Takano, E. (2012). Metabolomics methods for the synthetic biology of secondary metabolism.. FEBS letters, 586(15), 2177-2183. doi:10.1016/j.febslet.2012.02.008
Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets.
Jankevics, A., Merlo, M. E., de Vries, M., Vonk, R. J., Takano, E., & Breitling, R. (2012). Separating the wheat from the chaff: a prioritisation pipeline for the analysis of metabolomics datasets.. Metabolomics : Official journal of the Metabolomic Society, 8(Suppl 1), 29-36. doi:10.1007/s11306-011-0341-0
IDEOM: an Excel interface for analysis of LC-MS-based metabolomics data.
Creek, D. J., Jankevics, A., Burgess, K. E. V., Breitling, R., & Barrett, M. P. (2012). IDEOM: an Excel interface for analysis of LC-MS-based metabolomics data.. Bioinformatics (Oxford, England), 28(7), 1048-1049. doi:10.1093/bioinformatics/bts069
2011
Metabolomic analysis of a synthetic metabolic switch in Streptomyces coelicolor A3(2).
Jankevics, A., Merlo, M. E., de Vries, M., Vonk, R. J., Takano, E., & Breitling, R. (2011). Metabolomic analysis of a synthetic metabolic switch in Streptomyces coelicolor A3(2).. Proteomics, 11(24), 4622-4631. doi:10.1002/pmic.201100254
Toward global metabolomics analysis with hydrophilic interaction liquid chromatography-mass spectrometry: improved metabolite identification by retention time prediction.
Creek, D. J., Jankevics, A., Breitling, R., Watson, D. G., Barrett, M. P., & Burgess, K. E. V. (2011). Toward global metabolomics analysis with hydrophilic interaction liquid chromatography-mass spectrometry: improved metabolite identification by retention time prediction.. Analytical chemistry, 83(22), 8703-8710. doi:10.1021/ac2021823
Exploring the metabolic state of microorganisms using metabolomics.
Merlo, M. E., Jankevics, A., Takano, E., & Breitling, R. (2011). Exploring the metabolic state of microorganisms using metabolomics.. Bioanalysis, 3(21), 2443-2458. doi:10.4155/bio.11.248
Erratum to: Towards an unbiased metabolic profiling of protozoan parasites: optimisation of a Leishmania sampling protocol for HILIC-orbitrap analysis
t’Kindt, R., Jankevics, A., Scheltema, R. A., Zheng, L., Watson, D. G., Dujardin, J. -C., . . . Decuypere, S. (2011). Erratum to: Towards an unbiased metabolic profiling of protozoan parasites: optimisation of a Leishmania sampling protocol for HILIC-orbitrap analysis. Analytical and Bioanalytical Chemistry, 400(2), 635. doi:10.1007/s00216-011-4796-7
PeakML/mzMatch: a file format, Java library, R library, and tool-chain for mass spectrometry data analysis.
Scheltema, R. A., Jankevics, A., Jansen, R. C., Swertz, M. A., & Breitling, R. (2011). PeakML/mzMatch: a file format, Java library, R library, and tool-chain for mass spectrometry data analysis.. Analytical chemistry, 83(7), 2786-2793. doi:10.1021/ac2000994
2010
Metabolomics to unveil and understand phenotypic diversity between pathogen populations.
t'Kindt, R., Scheltema, R. A., Jankevics, A., Brunker, K., Rijal, S., Dujardin, J. -C., . . . Decuypere, S. (2010). Metabolomics to unveil and understand phenotypic diversity between pathogen populations.. PLoS neglected tropical diseases, 4(11), e904. doi:10.1371/journal.pntd.0000904
Towards an unbiased metabolic profiling of protozoan parasites: optimisation of a Leishmania sampling protocol for HILIC-orbitrap analysis.
t'Kindt, R., Jankevics, A., Scheltema, R. A., Zheng, L., Watson, D. G., Dujardin, J. -C., . . . Decuypere, S. (2010). Towards an unbiased metabolic profiling of protozoan parasites: optimisation of a Leishmania sampling protocol for HILIC-orbitrap analysis.. Analytical and bioanalytical chemistry, 398(5), 2059-2069. doi:10.1007/s00216-010-4139-0
2009
Metabolomic studies of experimental diabetic urine samples by 1H NMR spectroscopy and LC/MS method
Jankevics, A., Liepinsh, E., Liepinsh, E., Vilskersts, R., Grinberga, S., Pugovics, O., & Dambrova, M. (2009). Metabolomic studies of experimental diabetic urine samples by 1H NMR spectroscopy and LC/MS method. Chemometrics and Intelligent Laboratory Systems, 97(1), 11-17. doi:10.1016/j.chemolab.2008.06.012