Yury Kostyukevich

Personal Websites

Yury Kostyukevich

Yury Kostyukevich obtained Ph.D degree in Chemical Physics studding in Moscow Institute for Physics and Technology and defending thesis in N.N. Semenov Institute of Chemical Physics. Yury joined Skoltech in 2014. His research interests include high resolution mass spectrometry, analysis of complex natural mixtures, proteomics, metabolomics, gas phase ion chemistry, instrumentation development and supercomputer simulation of ion optics.
Yury was promoted to Assistant Professor position in 2019. Currently Yury is  leading a team developing a technological platform for drug discovery. The research is supported by 5,000,000 RUB/year grant from Russian Science Foundation. This is a data intensive research and includes developing of novel approaches (both experimental and computational) to the measurements of molecular descriptors for all compounds simultaneously, data processing and database search. We have shown that our approach allows up to 10 times increase of the reliability of the identification of drugs.

Yury published more than 80 papers and 3 patents, he is principal investigator of several grants supported by Russian Foundation for Basic Research and Russian Science Foundation. His H-index is 19.

  • High throughput omics technologies
  • Drug screening
  • Computational metabolomics
  • Cheminformatics
  • Investigation of structure of individual compounds in complex natural mixtures
  • Molecular archeology and paleontology.

Full list of publication is available here:


Selected publications:

  1. Kostyukevich, Y. et al. Enumeration of labile hydrogens in natural organic matter by use of hydrogen/deuterium exchange Fourier transform ion cyclotron resonance mass spectrometry. Analytical chemistry85, 11007-11013 (2013).
  2. Kostyukevich, Y., Kononikhin, A., Popov, I. & Nikolaev, E. Simple atmospheric hydrogen/deuterium exchange method for enumeration of labile hydrogens by electrospray ionization mass spectrometry. Analytical chemistry85, 5330-5334 (2013).
  3. Kostyukevich, Y., Kononikhin, A., Popov, I. & Nikolaev, E. In-ESI source hydrogen/deuterium exchange of carbohydrate ions. Analytical chemistry86, 2595-2600 (2014).
  4. Kostyukevich, Y., Kononikhin, A., Popov, I. & Nikolaev, E. Conformational changes of ubiquitin during electrospray ionization as determined by in‐ESI source H/D exchange combined with high‐resolution MS and ECD fragmentation. Journal of Mass Spectrometry49, 989-994 (2014).
  5. Kostyukevich, Y. et al. Enumeration of non-labile oxygen atoms in dissolved organic matter by use of 16 O/18 O exchange and Fourier transform ion-cyclotron resonance mass spectrometry. Analytical and bioanalytical chemistry406, 6655-6664 (2014).
  6. Perminova, I.V. et al. Molecular mapping of sorbent selectivities with respect to isolation of Arctic dissolved organic matter as measured by Fourier transform mass spectrometry. Environmental science & technology48, 7461-7468 (2014).
  7. Kostyukevich, Y. et al. Supermetallization of peptides and proteins during electrospray ionization. Journal of mass spectrometry50, 1079-1087 (2015).
  8. Kostyukevich, Y., Kononikhin, A., Popov, I. & Nikolaev, E. Conformations of cationized linear oligosaccharides revealed by FTMS combined with in‐ESI H/D exchange. Journal of Mass Spectrometry50, 1150-1156 (2015).
  9. Zherebker, A.Y. et al. Synthesis of model humic substances: a mechanistic study using controllable H/D exchange and Fourier transform ion cyclotron resonance mass spectrometry. Analyst140, 4708-4719 (2015).
  10. Kononikhin, A. et al. An untargeted approach for the analysis of the urine peptidome of women with preeclampsia. Journal of proteomics149, 38-43 (2016).
  11. Kostyukevich, Y. et al. Supermetallization of peptides and proteins with tetravalent metal Th (IV). European journal of mass spectrometry22, 39-42 (2016).
  12. Nikolaev, E.N., Kostyukevich, Y.I. & Vladimirov, G.N. Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations. Mass spectrometry reviews35, 219-258 (2016).
  13. Zherebker, A. et al. High desolvation temperature facilitates the ESI-source H/D exchange at non-labile sites of hydroxybenzoic acids and aromatic amino acids. Analyst141, 2426-2434 (2016).
  14. Kostyukevich, Y., Efremov, D., Ionov, V., Kukaev, E. & Nikolaev, E. Remote detection of explosives using field asymmetric ion mobility spectrometer installed on multicopter. Journal of mass spectrometry52, 777-782 (2017).
  15. Kostyukevich, Y. et al. CID fragmentation, H/D exchange and supermetallization of Barnase-Barstar complex. Scientific reports7, 6176 (2017).
  16. Zherebker, A. et al. Enumeration of carboxyl groups carried on individual components of humic systems using deuteromethylation and Fourier transform mass spectrometry. Analytical and bioanalytical chemistry409, 2477-2488 (2017).
  17. Kostyukevich, Y. etal. Hydrogen/deuteriumexchangeinmassspectrometry. Mass spectrometry reviews37, 811-853 (2018).
  18. Kostyukevich, Y., Kononikhin, A., Popov, I. & Nikolaev, E. Analytical description of the H/D exchange kinetic of macromolecule. Analytical chemistry90, 5116-5121 (2018).
  19. Kostyukevich, Y. & Nikolaev, E. Ion source multiplexing on a single mass spectrometer. Analytical chemistry90, 3576-3583 (2018).
  20. Kostyukevich, Y., Zherebker, A., Vlaskin, M.S., Borisova, L. & Nikolaev, E. Microprobe for the Thermal Analysis of Crude Oil Coupled to Photoionization Fourier Transform Mass Spectrometry. Analytical chemistry90, 8756-8763 (2018).
  21. Tsvetkov, V.B. et al. i-Clamp phenoxazine for the fine tuning of DNA i-motif stability. Nucleic acids research46, 2751-2764 (2018).
  22. Kostyukevich, Y. et al. Proteomic and lipidomic analysis of mammoth bone by high-resolution tandem mass spectrometry coupled with liquid chromatography. European Journal of Mass Spectrometry24, 411-419 (2018).
  23. Gridnev, I.D., Zherebker, A., Kostyukevich, Y. & Nikolaev, E. Methylene Group Transfer in Carbonyl Compounds Discovered in silico and Detected Experimentally. ChemPhysChem20, 361-365 (2019).
  24. Kostyukevich, Y. et al. High-Resolution Mass Spectrometry Study of the Bio-Oil Samples Produced by Thermal Liquefaction of Microalgae in Different Solvents. Journal of The American Society for Mass Spectrometry, 1-10 (2019).
  25. Kostyukevich, Y. et al. Speciation of structural fragments in crude oil by means of isotope exchange in near- critical water and Fourier Transform Mass Spectrometry. . Analytical and Bioanalytical Chemistry (2019).
  26. Kostyukevich, Y., Kitova, A., Zherebker, A., Rukh, S. & Nikolaev, E. Investigation of the archeological remains using ultrahigh resolution mass spectrometry. European Journal of Mass Spectrometry (2019).

Research areas:

High resolution mass-spectrometry, proteomics and metabolomics,structural proteomics,analysis of complex biochemical mixtures, supercomputer modeling of ion cloud behavior in accumulation and transportation of ions

Principal Investigator of projects supported by grants:

  1. FASIE Grant UMNIK, 2011.
  2. Russian Foundation for Basic Research (RFBR) Grant for young researchers “My first grant”, 2013.
  3. Russian Foundation for Basic Research (RFBR) Initiative Grant, 2014.
Albert Kireev
Research Scientist
Anton Grigoryev
Junior Research Scientist
Oxana Kovaleva
Research Intern
Anastasia Sarycheva
Research Intern