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Institute of Advanced Materials
Home  >  People  >  Rafał Szabla

Rafał Szabla, Ph.D.

Assistant Professor & Research Group Leader

Wybrzeże Wyspiańskiego 27

PL-50370 Wrocław, Poland

rafal.szabla [a] pwr.edu.pl

Office: L-1/227

Curriculum vitae
Bibliography
Files to download

Scientific interests

  • Computational investigation of bioorganic reaction mechanisms and prebiotic reaction networks
  • Development of computational protocols for the simulation of electron transfer processes
  • Biomolecular photochemistry
  • Machine learning potentials for biomolecules
ORCID ORCID 0000-0002-1668-8044

Research Group

Postdoctoral Research Associates
  • Dr Shivangi Garg
  • Dr Michał Pocheć
  • Dr Anna Spyszkiewicz
PhD Students
  • Mikołaj Gurba
  • Barbara Lech
  • Boluwatife Ogunnaiya

Selected scientific articles

  1. Janicki, M.*, Szabla, R.*, Chalcogen bonds enable efficient photoreduction of sulfur-containing heterocycles. Angew. Chem. Int. Ed., 64, e202413498, 2025. [Link]
  2. Kufner, C.L.*, Crucilla, S., Ding, D., Stadlbauer, P., Sponer, J., Szostak J.W., Sasselov D.D., Szabla, R.*, Photoinduced DNA self-repair and charge separation depend on sequence directionality and stacking pattern. Chem. Sci., 15, 2158-2166, 2024. [Article PDF]
  3. Szabla, R.*, Zdrowowicz, M.*, Spisz, P., Green, N.J., Stadlbauer, P., Kruse, H., Šponer, J., Rak, J., 2,6-diaminopurine promotes repair of DNA lesions under prebiotic conditions. Nat. Commun., 12, 3018, 2021. [Link] [Article PDF]
  4. Xu, J., Chmela, V., Green, N.J., Russel, D.A., Janicki, M.J., Góra, R.W., Szabla, R., Bond, A.D., Sutherland, J.D.*, Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides. Nature, 582, 60–66, 2020. [Link]
  5. Janicki, M.J., Kufner, C.L., Todd, Z.R., Kim, S.C., O”Flaherty, D.K., Szostak, J.W., Šponer, J., Góra, R.W.*, Sasselov, D.D.*, Szabla, R.*, Ribose alters the photochemical properties of\nthe nucleobase in thionated nucleosides. J. Phys. Chem. Lett., 12 (28), 6707–6713, 2021. [Link]
  6. Szabla, R.,* Kruse, H., Stadlbauer P., Sponer, J., Sobolewski A.L., Sequential Electron Transfer Governs the UV-Induced Self-Repair of DNA Photolesions, Chem. Sci., 9, 3131-3140, 2018. [Article PDF]

Professional career

2021 - Now

Assistant Professor — Wroclaw University of Science and Technology, PL

2019 - 2021

Lecturer in Computational Organic Chemistry — School of Chemistry University of Edinburgh, UK

2017 - 2019

Independent Postdoctoral Fellow — Institute of Physics, Polish Academy of Sciences, Warsaw, PL

2012 - 2017

Research Assistant (PhD Student) — Institute of Biophysics, Czech Academy of Sciences, Brno, CZ

Titles and degrees

2024

Habilitation in Chemical Sciences — Wroclaw University of Science and Technology, PL

2017

PhD in Biomolecular Chemistry — Masaryk University, Brno, Czechia

2012

MSc in Bioinformatics — Wroclaw University of Science and Technology, PL

Awards

2024 Iuvenes Wratislaviae – Award of the Wroclaw Division of Polish Academy of Sciences for an Early Career Research Achievement.
2023 Scholarship of the Polish Ministry of Science and Education for Young Outstanding Scientists
2021 Finalist of the Science Awards of the Polityka Magazine
2019 Foundation for Polish Science, START Fellowship for Young Researchers (with distinction)
2017 Award of the Institute of Biophysics of the Czech Academy of Sciences for Young Researchers

Research Funding

2023–2026 National Science Centre Poland – SONATA research grant, 290 000 EUR, Principal Investigator
2023–2028 National Science Centre Poland – SONATA BIS research grant, 650 000 EUR, Principal Investigator
2021–2025 National Science Centre Poland – OPUS research grant, 400 000 EUR, Principal Investigator
2017–2020 Simons Foundation – Simons Collaboration on the Origins of Life Postdoctoral Fellowship, $233 800, Principal Investigator

  1. Lech, B., Ogunnaiya, B., Petrusevich, L., Szabla, R.*, Computational evaluation of the binding of activated ribonucleotides in nonenzymatic RNA template copying. ChemSystemsChem, [Revision stage], 2025. [Preprint]

  2. Janicki, M.*, Szabla, R.*, Chalcogen bonds enable efficient photoreduction of sulfur-containing heterocycles. Angew. Chem. Int. Ed., 64, e202413498, 2025. [Link]

  3. Xu, J.*, Janicki, M.*, Szabla, R., Sutherland, J.D., Prebiotic synthesis of dihydrouridine by photoreduction of uridine in formamide. Chem. Commun., 60, 7081-7084, 2024. [Article PDF]

  4. Kufner, C.L.*, Crucilla, S., Ding, D., Stadlbauer, P., Sponer, J., Szostak J.W., Sasselov D.D., Szabla, R.*, Photoinduced DNA self-repair and charge separation depend on sequence directionality and stacking pattern. Chem. Sci., 15, 2158-2166, 2024. [Article PDF]

  5. Gate, G., Williams, A., Boldissar, S., Sponer, J., Szabla, R.*, de Vries, M.*, The tautomer-specific excited state dynamics of 2,6-diaminopurine using REMPI and quantum chemical calculations. Photochem. Photobiol. 100 (2), 404-418, 2024. [Article PDF]

  6. Cumby, J.*, Degiacomi, M.T., Erastova, V., Güven, J., Hobday, C.L., Mey, A.S.J.S., Pollak, H., Szabla, R., Course Materials for an Introduction to Data-Driven Chemistry. J. Open Source Educ., 6, 192, 2023. [Link]

  7. Bertram, L., Roberts, S.J., Powner, M.W., Szabla, R.*, Photochemistry of 2-thiooxazole: a plausible prebiotic precursor to RNA nucleotides. Phys. Chem. Chem. Phys., 24, 21406-21416, 2022. [Article PDF]

  8. Bestwick, J.S., Jones, D.J., Jones, H.E., Kalomenopoulos, P.G., Szabla, R.*, Lawrence, A.L.*, Total Synthesis and Prediction of Ulodione Natural Products Guided by DFT Calculations. Angew. Chem. Int. Ed., 61(32), e202207004, 2022. [Link]

  9. Janicki, M.J.*, Szabla, R.*, Sponer, J., Góra, R.W.*, UV-induced chalcogen bonding complex enables destructive photochemistry of guanine nucleosides. Phys. Chem. Chem. Phys., 24, 8217-8224, 2022 [Article PDF]

  10. Reedy, E.S., Rademacher, J., Szabla, R., Campbell, E.K.*, Electronic absorptions of C5+ detected in the visible through action spectroscopy in a cryogenic trap. Mol. Phys., e1989070, 2021. [Link]

  11. Janicki, M.J., Kufner, C.L., Todd, Z.R., Kim, S.C., O”Flaherty, D.K., Szostak, J.W., Šponer, J., Góra, R.W.*, Sasselov, D.D.*, Szabla, R.*, Ribose alters the photochemical properties of\nthe nucleobase in thionated nucleosides. J. Phys. Chem. Lett., 12 (28), 6707–6713, 2021. [Link]

  12. Szabla, R.*, Zdrowowicz, M.*, Spisz, P., Green, N.J., Stadlbauer, P., Kruse, H., Šponer, J., Rak, J., 2,6-diaminopurine promotes repair of DNA lesions under prebiotic conditions. Nat. Commun., 12, 3018, 2021. [Link] [Article PDF]

  13. Xu, J., Chmela, V., Green, N.J., Russel, D.A., Janicki, M.J., Góra, R.W., Szabla, R., Bond, A.D., Sutherland, J.D.*, Selective prebiotic formation of RNA pyrimidine and DNA purine nucleosides. Nature, 582, 60–66, 2020. [Link]

  14. Kruse, H.*, Szabla, R., Šponer, J., Surprisingly Broad Applicability of the cc-pVnZ-F12 Basis Set for Ground and Excited States, J. Chem. Phys., 152 (21), 214104, 2020. [Link]

  15. Szakaradek, K., Stadlbauer, P., Sponer, J., Góra, R.W., Szabla, R.*, UV-induced hydrogen transfer in DNA base pairs promoted by dark nπ* states, Chem. Commun., 56, 201-204, 2020. [Article PDF]

  16. Todd, Z.R., Szabla, R., Szostak, J.W., Sasselov, D.D., UV photostability of three 2-aminoazoles with key roles in prebiotic chemistry on the early earth, Chem. Commun., 55, 10388-10391, 2019. [Article PDF]

  17. Gate, G., Szabla, R., Haggmark, M.R., Šponer, J., Sobolewski, A.L., de Vries, M.S., Photodynamics of alternative DNA base isoguanine, Phys. Chem. Chem. Phys., 21, 13474-13485, 2019. [Article PDF]

  18. Brazevic, S., Nizinski, S., Szabla, R., Rode, M.F., Burdzinski, G., Photochromic reaction in 3H-naphthopyrans studied by vibrational spectroscopy and quantum chemical calculations, Phys. Chem. Chem. Phys., 21, 11861-11870, 2019. [Link]

  19. Janicki, M.J., Roberts, S.J., Sponer, J., Powner, M.W., Gora, R.W. Szabla, R.,* Photostability of oxazoline RNA-precursors in UV-rich prebiotic environments. Chem. Commun., 54, 13407-13410, 2018. [Link]

  20. Roberts, S.J., Szabla, R., Todd Z.R., Stairs S., Bucar, D.-K., Sponer, J., Sasselov, D.D., Powner, M.W., Selective Prebiotic Conversion of Pyrimidine and Purine Anhydronucleosides into Watson-Crick Base-Pairing arabino-Furanosyl Nucleosides in Water. Nat. Commun., 9, 4073, 2018. [Article PDF]

  21. Janicki, M., Szabla, R.,* Sponer, J., Gora, R.W., Solvation Effects Alter the Photochemistry of 2-Thiocytosine, Chem. Phys., 515, 502-508, 2018. [Link]

  22. Janicki, M., Szabla, R.,* Sponer, J., Gora, R.W., Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole, Farad. Discuss., 212, 345-358, 2018. [Link]

  23. Szabla, R.,* Kruse, H., Stadlbauer P., Sponer, J., Sobolewski A.L., Sequential Electron Transfer Governs the UV-Induced Self-Repair of DNA Photolesions, Chem. Sci., 9, 3131-3140, 2018. [Article PDF]

  24. Szabla, R.,* Kruse, H., Sponer, J., Gora, R.W., Water-Chromophore Electron Transfer Determines the Photochemistry of Cytosine and Cytidine, Phys. Chem. Chem. Phys., 19, 17531-17537, 2017. [Link]

  25. Xu, J., Tsanakopoulu, M., Magnani, C.J., Szabla, R.,* Sponer, J.E., Sponer, J., Gora, R.W., Sutherland, J.D, A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization, Nat. Chem., 9, 303-309, 2017. [Link]

  26. Szabla, R.,* Gora, R.W., Janicki M., Sponer, J., Photorelaxation of Imidazole and Adenine via Electron-Driven Proton Transfer Along H2O Wires, Farad. Discuss., 195, 237-251, 2016. [Link]

  27. Szabla, R., Havrila, M., Kruse, H., Sponer, J., Comparative Assessment of Different RNA Tetranucleotides from the DFT-D3 and Force Field Perspective, J. Phys. Chem. B, 120 (41), 10635-10648, 2016. [Link]

  28. Szabla, R.,* Gora, R.W., Sponer, J., Ultrafast Excited-State Dynamics of Isocytosine, Phys. Chem. Chem. Phys., 18 (30), 20208-20218, 2016. [Link]

  29. Sponer, J.E., Szabla, R., Gora, R.W., Saitta, A.M., Pietrucci, F., Saija, F., Di Mauro E., Saladino, R., Ferus, M., Civis, S., Sponer, J., Prebiotic synthesis of nucleic acids and their building blocks at the atomic level-merging models and mechanisms from advanced computations and experiments, Phys. Chem. Chem. Phys., 18 (30), 20047-20066, 2016. [Link]

  30. Civis, S., Szabla, R., Szyja, B.M., Smykowski, D., Ivanek, O., Knizek, A., Kubelik,P., Sponer, J., Ferus, M., Sponer, J.E., TiO2-catalyzed synthesis of sugars from formaldehyde in extraterrestrial impacts on the early Earth, Sci. Rep., 6, 23199, 2016. [Article PDF]

  31. Szabla, R.,* Sponer, J., Gora, R.W., Electron Driven Proton Transfer Along H2O Wires Enables Photorelaxation of πσ∗ States in Chromophore-Water Clusters, J. Phys. Chem. Lett., 6 (8), 1467-1471, 2015. [Link]

  32. Szabla, R.,* Campos, J., Sponer, J.E, Sponer, J., Gora, R.W., Sutherland, J.D., Excited-state hydrogen atom abstraction initiates the photochemistry of β-2′-deoxycytidine, Chem. Sci., 6 (3), 2035-2043, 2015. [Article PDF]

  33. Szabla, R.,* Sponer, J.E., Sponer, J., Sobolewski, A.L., Gora, R.W., Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines. Phys. Chem. Chem. Phys., 16 (33), 17617-17626, 2014. [Link]

  34. Szabla, R.,* Gora, R.W., Sponer, J., Sponer, J.E., Molecular mechanism of diaminomaleonitrile to diaminofumaronitrile photoisomerization: an intermediate step in the prebiotic formation of purine nucleobases. Chem. Eur. J., 20 (9), 2515-2521, 2014. [Link]

  35. Szabla, R., Tuna, D., Gora, R.W., Sponer, J., Sobolewski, A.L., Domcke W., Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides. J. Phys. Chem. Lett., 4 (16), 2785-2788, 2013. [Link]

  36. Szabla, R., Sponer, J.E., Sponer, J., Gora, R.W., Theoretical studies of the mechanism of 2-aminooxazole formation under prebiotically plausible conditions, Phys. Chem. Chem. Phys., 15 (20), 7812-7818, 2013. [Link]