Summary
I am a postdoctoral research associate at the National Phenome Centre in the section of Bioanalytical Chemistry. My research interests focus on all aspects of NMR spectroscopy and its application to bio-analytical and metabolomics studies along with basic handling of mass spectrometry metabolomics data. Currently, I am working and interested in the development of NMR-based bio- chem- informatics software based upon signal processing etc. for the deconvolution of complex mixtures such as biofluids, aiming at the rapid assignment and quantification of diagnostic and prognostic markers for disease risk and personalized medicine.
For more details about my work on NMR spectroscopy/computational developments for biophysics, metabolomics and bioanalytical chemistry research, see the publication, software and patent list below.
selected publications
- Takis, P. G.*, Vuckovic, I., Tan, T., Denic, A., Lieske, J.C., Lewis, M.R., Macura, S. (2022) ‘NMRpQuant: an automated software for large scale urinary total protein quantification by one-dimensional 1H NMR profiles’, Bioinformatics (https://doi.org/10.1093/bioinformatics/btac502)
- Correia, G.D.S.*, Takis, P. G.*, Sands, C.J., Kowalka, A.M., Tan, T., Turtle, L., Ho, A., Semple, M.G., Openshaw, P.J.M., Baillie, J.K., Takáts, Z., Lewis. M.R. (2022) ‘1H NMR Signals from Urine Excreted Protein Are a Source of Bias in Probabilistic Quotient Normalization’, Analytical Chemistry (https://doi.org/10.1021/acs.analchem.2c00466)
- Takis, P. G.*, Jimenez, B., Al-Saffar, N.M.S., Harvey, N., Misra, S., Chekmeneva, E., Lewis. M.R (2021) ‘A Computationally Lightweight Algorithm for Deriving Reliable Metabolite Panel Measurements from 1D 1H NMR’, Analytical Chemistry
(https://doi.org/10.1021/acs.analchem.1c00113) - Takis, P. G.*, Jimenez, B., Sands, C.J., Chekmeneva, E., Lewis. M.R. (2020) ‘SMolESY: an efficient and quantitative alternative to on-instrument macromolecular 1H-NMR signals suppression’, Chemical Science (https://doi.org/10.1039/D0SC01421D)†
- Takis, P. G., Schäfer, H., Spraul, M., Luchinat, C. (2017) ‘Deconvoluting interrelationships between chemical shifts and concentrations in complex mixtures: a powerful biofluid analysis tool’, Nature Communications
(https://doi.org/10.1038/s41467-017-01587-0)
*Corresponding author(s)
†Highlighted in Chemistry World:
https://www.chemistryworld.com/news/computational-method-challenges-nmr-metabolomics-dogma/4012076.article
Publications
Journals
Goldswain H, Dong X, Penrice-Randal R, et al., 2023, The P323L substitution in the SARS-CoV-2 polymerase (NSP12) confers a selective advantage during infection, Genome Biology, Vol:24, ISSN:1474-7596
Stebbing J, Takis PG, Sands CJ, et al., 2023, Comparison of phenomics and cfDNA in a large breast screening population: the Breast Screening and Monitoring Study (BSMS), Oncogene, Vol:42, ISSN:0950-9232, Pages:825-832
Alexander J, Powell N, Marchesi J, et al., 2023, Considerations for peripheral blood transport and storage during large-scale multicentre metabolome research, Gut, ISSN:0017-5749, Pages:1-4
Harvey N, Takis PG, Lindon JC, et al., 2023, Optimization of diffusion-ordered NMR spectroscopy experiments for high-throughput automation in human metabolic phenotyping, Analytical Chemistry, Vol:95, ISSN:0003-2700, Pages:3147-3152
Augustin A, Le Guennec A, Umamahesan C, et al., 2023, Faecal metabolite deficit, gut inflammation and diet in Parkinson’s disease: integrative analysis indicates inflammatory response syndrome, Clinical and Translational Medicine, Vol:13, ISSN:2001-1326