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
Gouveia GJ, Head T, Cheng LL, et al., 2024, Perspective: use and reuse of NMR-based metabolomics data: what works and what remains challenging., Metabolomics, Vol:20
Powers R, Andersson ER, Bayless AL, et al., 2024, Best practices in NMR metabolomics: Current state, Trac - Trends in Analytical Chemistry, Vol:171, ISSN:0165-9936
Routy B, Lenehan JG, Miller WH, et al., 2024, Author Correction: Fecal microbiota transplantation plus anti-PD-1 immunotherapy in advanced melanoma: a phase I trial., Nat Med, Vol:30
Forlano R, Martinez-Gili L, Takis P, et al., 2024, Disruption of gut barrier integrity and host-microbiome interactions underlie MASLD severity in patients with type-2 diabetes mellitus, Gut Microbes, Vol:16, ISSN:1949-0976
Alexander J, Powell N, Marchesi J, et al., 2024, Considerations for peripheral blood transport and storage during large-scale multicentre metabolome research, Gut, Vol:73, ISSN:0017-5749, Pages:379-383