Przemysław Dopieralski, Ph.D.

https://orcid.org/0000-0002-4309-6597

Permanent Address: Research Associate Faculty of Chemistry University of Wroclaw, F. Joliot-Curie 14/3A 50-383 Wroclaw, POLAND Tel. ++48 (0)71 375 7306 e-mail: przemyslaw.dopieralski@chem.uni.wroc.pl

Adjunct;      Download Curriculum vitae
M.Sc. 2004, Ph.D. 2008.

From 2014 member of The Academy of Young Scholars and Artists

• P. Dopieralski, J. Ribas–Arino, D. Marx
  "On the Overhelming Complexity of Mechanochemical Disulphide Bond Reduction in Alkaline Solution"
  Eds. K. Binder, G. Muller, A. Trautmann, John von Neumann Institute for Computing (NIC)
  Julich 2018, vol 49, pp. 165-174

  
  

• P. Dopieralski, Z. Latajka
  "Computational mechanochemistry."
  in "Practical aspects of computational chemistry IV", 2016, 233-243.
  ISBN 978-1-4899-7697-0
  
  

• P. Dopieralski, J. Ribas–Arino, D. Marx
  "Force-activated Reactivity of Disulfides
  or the
  ``Strange case of Dr. Jekyll and Mr. Hyde``''
  Eds. K. Binder, G. Munster, R. Kremer, John von Neumann Institute for Computing (NIC)
  Julich 2014, vol 47, pp. 131-138
  

• P. Dopieralski, J. Ribas–Arino, D. Marx
  "Mechanochemistry of Covalent Bond Breaking from First Principles Simulations"
  Eds. K. Binder, G. Munster, R. Kremer, John von Neumann Institute for Computing (NIC)
  Julich 2012, vol 45, pp. 115-122
  
  

• P. Dopieralski, P. Anjukandi, J. Ribas–Arino, D. Marx
  Theoretical Mechanochemistry: Stressing Molecules in the Virtual Lab
  InSiDE (Innovatives Supercomputing in Deutschland) 2012, vol. 10, pp. 48-52

The list of publications

1. Dopieralski Przemysław, Omelchenko Irina V., Latajka Zdzisław
Impact of deuteration and temperature on furan ring dynamics.
Molecules, 2021, 26, 2889/1-2889/7
IF: 4.411
10.3390/molecules26102889

2. Topolnicki Rafał, Dopieralski Przemysław
Temperature driven interchange of the effective size of proton with deuterium.
Chemical Physics Letters, 2021, 778, 138775/1-138775/4
IF: 2.328
10.1016/j.cplett.2021.138775

3. Dopieralski Przemysław, Zoloff Michoff Martin E., Marx Dominik
Mechanochemical disulfide reduction reveals imprints of noncovalent sulfur⋯oxygen chalcogen bonds in protein-inspired mimics in aqueous solution.
Physical Chemistry Chemical Physics, 2020, 22, 25112-25117
IF: 3.676
10.1039/d0cp04026f

4. Rok Magdalena, Moskwa Marcin, Dopieralski Przemysław, Medycki Wojciech, Zamponi Michaela, Bator Grażyna
The influence of structure on the methyl group dynamics of polymorphic complexes: 6,6′-dimethyl-2,2′-dipyridyl with halo derivatives of benzoquinone acids.
CrystEngComm, 2020, 22, 6811-6821
IF: 3.545
10.1039/d0ce00973c

5. Omelchenko Irina V., Shishkin Oleg V., Dopieralski Przemysław, Latajka Zdzisław
About the aromaticity of symm-triaminotrinitrobenzene.
Journal of Physical Chemistry A, 2019, 123, 2244-2251
IF: 2.6
10.1021/acs.jpca.9b00433

6. Järvinen Teemu, Lundell Jan, Dopieralski Przemysław
Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex.
Theoretical Chemistry Accounts, 2018, 137, 100/1-100/8
IF: 1.598
10.1007/s00214-018-2280-6

7. Krupička Martin, Dopieralski Przemysław, Marx Dominik
Unclicking the click : metal-assisted mechanochemical cycloreversion of triazoles is possible.
Angewandte Chemie-International Edition, 2017, 56, 7745-7749
IF: 12.102
10.1002/anie.201612507

8. Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution.
Nature Chemistry, 2017, 9, 164-170
IF: 26.201
10.1038/nchem.2632

9. Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
Force-induced reversal of β-eliminations : stressed disulfide bonds in alkaline solution.
Angewandte Chemie-International Edition, 2016, 55, 1304-1308
IF: 11.994
10.1002/anie.201508005

10. Walewski Łukasz, Dopieralski Przemysław, Shishkin Oleg V., Latajka Zdzisław
Quantum delocalization of benzene in the ring puckering coordinates.
International Journal of Quantum Chemistry, 2014, 114, 534-542
IF: 1.432
10.1002/qua.24606

11. Anjukandi Padmesh, Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
The effect of tensile stress on the conformational free energy landscape of disulfide bonds.
PLoS One, 2014, 9, e108812/1-e108812/7
IF: 3.234
10.1371/journal.pone.0108812

12. Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
Entropy versus aromaticity in the conformational dynamics of aromatic rings.
Journal of Molecular Modeling, 2013, 19, 4073-4077
IF: 4.739
10.1007/s00894-012-1670-2

13. Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Kiss Janos, Marx Dominik
The Janus-faced role of external forces in mechanochemical disulfide bond cleavage.
Nature Chemistry, 2013, 5, 685-691
IF: 23.297
10.1038/NCHEM.1676

14. Shishkin Oleg V., Dopieralski Przemysław, Omelchenko Irina V., Gorb Leonid, Latajka Zdzisław, Leszczyński Jerzy
Dynamical nonplanarity of benzene. Evidences from the Car-Parrinello molecular dynamics study.
Journal of Physical Chemistry Letters, 2011, 2, 2881-2884
IF: 6.213
10.1021/jz201327t

15. Dopieralski Przemysław, Ribas-Arino Jordi, Marx Dominik
Force-transformed free-energy surfaces and trajectory-shooting simulations reveal the mechano-stereochemistry of cyclopropane ring-opening reactions.
Angewandte Chemie-International Edition, 2011, 50, 7105-7108
IF: 13.455
10.1002/anie.201100399

16. Dopieralski Przemysław D., Burakowski Andrzej, Latajka Zdzisław, Olovsson Ivar
Hydration of NaHCO3, KHCO3, (HCO3-)2, HCO3- and CO32- from molecular dynamics simulation and speed of sound measurements.
Chemical Physics Letters, 2011, 507, 89-95
IF: 2.337
10.1016/j.cplett.2011.03.065

17. Dopieralski Przemysław, Perrin C. L., Latajka Zdzisław
On the intramolecular hydrogen bond in solution: Car-Parrinello and path integral molecular dynamics perspective.
Journal of Chemical Theory and Computation, 2011, 7, 3505-3513
IF: 5.215
10.1021/ct200580c

18. Dopieralski Przemysław, Anjukandi Padmesh, Rückert M., Shiga M., Ribas-Arino Jordi, Marx Dominik
On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores.
Journal of Materials Chemistry, 2011, 21, 8309-8316
IF: 5.968
10.1039/c0jm03698f

19. Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
Proton transfer dynamics in crystalline maleic acid from molecular dynamics calculations.
Journal of Chemical Theory and Computation, 2010, 6, 1455-1461
IF: 5.138
10.1021/ct100078w

20. Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
Proton-transfer dynamics in the (HCO3-)2 dimer of KHCO3 from Car-Parrinello and path-integrals molecular dynamics calculations.
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 2010, B66, 222-228
IF: 1.829
10.1107/S0108768110002314

21. Shishkin Oleg V., Dopieralski Przemysław, Palamarchuk G. V., Latajka Zdzisław
Rotation around the glycosidic bond as driving force of proton transfer in protonated 2'-deoxyriboadenosine monophosphate (dAMP).
Chemical Physics Letters, 2010, 490, 221-225
IF: 2.282
10.1016/j.cplett.2010.03.044

22. Dopieralski Przemysław, Panek Jarosław, Latajka Zdzisław
First-principles investigation of isomerization by proton transfer in β-fumaric acid crystal.
Journal of Chemical Physics, 2009, 130, 164517/1-164517/9
IF: 3.093
10.1063/1.3124192

23. Dopieralski Przemysław D., Latajka Zdzisław, Olovsson Ivar
Proton distribution in KHCO3 from ab initio molecular dynamics simulation.
Chemical Physics Letters, 2009, 476, 223-226
IF: 2.291
10.1016/j.cplett.2009.06.048

24. Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Journal of Molecular Structure-Theochem, 2009, 916, 72-75
IF: 1.216
10.1016/j.theochem.2009.09.008

25. Ratajczak Henryk, Barnes Austin J., Baran Jan, Yaremko Anatoly M., Latajka Zdzisław, Dopieralski Przemysław
Anharmonic interactions and infrared bandshape of the hydrogen bond vibration of potassium hydrogen (deuterium) maleate crystals.
Journal of Molecular Structure, 2008, 887, 9-19
IF: 1.594