Publications

40. Okur H. I., Hladílková J., Rembert K. B., Cho Y., Heyda J., Dzubiella J., Cremer P. S., Jungwirth P. Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions. The Journal of Physical Chemistry B, 2017, 121 (9), 1997–2014. link

39. Heyda J., Okur H. I., Hladílková J., Rembert K. B., Hunn W., Yang T., Dzubiella J., Jungwirth P., Cremer P. S. Guanidinium can both Cause and Prevent the Hydrophobic Collapse of Biomacromolecules. Journal of the American Chemical Society, 2017, 139(2), 863–870. link

38. Dong, S., Heyda, J., Yuan, J. & Schalley, C. A. Lower critical solution temperature (LCST) phase behaviour of an ionic liquid and its control by supramolecular host-guest interactions. Chem. Commun., 2016, 52, 7970–7973, link.

37. Schulz B., Chudoba R., Heyda J., and Dzubiella, J. Tuning the critical solution temperature of polymers by copolymerization. The Journal of Chemical Physics, 2015, 143, 243119, doi.

36. Yigit C., Heyda J., Ballauff M. and Dzubiella J. Like-charged protein-polyelectrolyte complexation driven by charge patches.  The Journal of Chemical Physics, 2015, 143(6), 064905, doi.

35. Yigit C., Heyda J. and Dzubiella J. Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions. The Journal of Chemical Physics, 2015, 143(6), 064904, doi.

34. Zhao, Q., Heyda, J., Dzubiella, J., Täuber, K., Dunlop, J. W. C. and Yuan, J. Sensing Solvents with Ultrasensitive Porous Poly(ionic liquid) Actuators. Advanced Materials, 2015, 27, 2913, doi.

33. Heyda, J.; Dzubiella, J. Thermodynamic Description of Hofmeister Effects on the LCST of Thermosensitive Polymers. The Journal of Physical Chemistry B 2014, 118(37), 10979-10988, doi.

32. Zhao, Q.; Dunlop, JWC.; Qiu, X.; Huang, F.; Zhang, Z.; Heyda, J.; Dzubiella, J.; Antonietti, M.; Yuan, J. An instant multi-responsive porous polymer actuator driven by solvent molecule sorption. Nature Communications 2014, 5. link

31. Werner, J.; Wernersson, E.; Ekholm, V.; Ottosson, N.; Ohrwall, G.; Heyda, J.; Persson, I.; Soderstrom, J.; Jungwirth, P. & Bjorneholm, O. Surface Behavior of Hydrated Guanidinium and Ammonium Ions: A Comparative Study by Photoelectron Spectroscopy and Molecular Dynamics Journal of Physical Chemistry B, 2014, 118(25), 7119-7127, link

30. Palczynski, K.; Heimel, G.; Heyda, J.; Dzubiella, J. Growth and Characterization of Molecular Crystals of para-Sexiphenyl by All-Atom Computer Simulations. Crystal Growth & Design 2014, 14(8), 3791-3799. link

29. Heyda, J.; Soll, S.; Yuan, J.; Dzubiella, J. Thermodynamic Description of the LCST of Charged Thermoresponsive Copolymers. Macromolecules 2014, 47(6), 2096-2102. link

28. Krizek, T.; Kubickova, A.; Hladilkova, J.; Coufal, P.; Heyda, J.; Jungwirth, P. Electrophoretic mobilities of neutral analytes and electroosmotic flow markers in aqueous solutions of Hofmeister salts. Electrophoresis 2014, 35(5), 617-624. link

27. Hladilkova, J.; Heyda, J.; Rembert, K. B.; Okur, H. I.; Kurra, Y.; Liu, W. S. R.; Hilty, C.; Cremer, P. S.; Jungwirth, P. Effects of End-Group Termination on Salting-Out Constants for Triglycine. Journal of Physical Chemistry Letters 2013, 4 (23), 4069-4073. link

26. Paterova, J.; Rembert, K. B.; Heyda, J.; Kurra, Y.; Okur, H. I.; Liu, W. S. R.; Hilty, C.; Cremer, P. S.; Jungwirth, P. Reversal of the Hofmeister Series: Specific Ion Effects on Peptides. Journal of Physical Chemistry B 2013, 117 (27), 8150-8158. link

25. Stepankova, V.; Paterova, J.; Damborsky, J.; Jungwirth, P.; Chaloupkova, R.; Heyda, J. Cation-Specific Effects on Enzymatic Catalysis Driven by Interactions at the Tunnel Mouth. Journal of Physical Chemistry B 2013, 117 (21), 6394-6402. link

24. Heyda, J.; Muzdalo, A.; Dzubiella, J. Rationalizing Polymer Swelling and Collapse under Attractive Cosolvent Conditions. Macromolecules 2013, 46 (3), 1231-1238. link

23. Pokorna, J.; Heyda, J.; Konvalinka, J. Ion specific effects of alkali cations on the catalytic activity of HIV-1 protease. Faraday Discussions 2013, 160, 359-370. link

22. Buchholz, M.; Goletz, C. M.; Grossmann, F.; Schmidt, B.; Heyda, J.; Jungwirth, P. Semiclassical Hybrid Approach to Condensed Phase Molecular Dynamics: Application to the I2Kr17 Cluster. Journal of Physical Chemistry A 2012, 116 (46), 11199-11210. link

21. Rembert, K. B.; Paterova, J.; Heyda, J.; Hilty, C.; Jungwirth, P.; Cremer, P. S. Molecular Mechanisms of Ion-Specific Effects on Proteins. Journal of the American Chemical Society 2012, 134 (24), 10039-10046. link

20. Kubickova, A.; Krizek, T.; Coufal, P.; Vazdar, M.; Wernersson, E.; Heyda, J.; Jungwirth, P. Overcharging in Biological Systems: Reversal of Electrophoretic Mobility of Aqueous Polyaspartate by Multivalent Cations. Physical Review Letters 2012, 108 (18). link

19. Wernersson, E.; Heyda, J.; Kubickova, A.; Krizek, T.; Coufal, P.; Jungwirth, P. Counterion condensation in short cationic peptides: Limiting mobilities beyond the Onsager-Fuoss theory. Electrophoresis 2012, 33 (6), 981-989. link

18. Heyda, J.; Dzubiella, J. Ion-specific counterion condensation on charged peptides: Poisson-Boltzmann vs. atomistic simulations. Soft Matter 2012, 8 (36), 9338-9344. link

17. Wernersson, E.; Heyda, J.; Vazdar, M.; Lund, M.; Mason, P. E.; Jungwirth, P. Orientational Dependence of the Affinity of Guanidinium Ions to the Water Surface. Journal of Physical Chemistry B 2011, 115 (43), 12521-12526. link

16. Vazdar, M.; Vymetal, J.; Heyda, J.; Vondrasek, J.; Jungwirth, P. Like-Charge Guanidinium Pairing from Molecular Dynamics and Ab Initio Calculations. Journal of Physical Chemistry A 2011, 115 (41), 11193-11201. link

15. Heyda, J.; Kozisek, M.; Bednarova, L.; Thompson, G.; Konvalinka, J.; Vondrasek, J.; Jungwirth, P. Urea and Guanidinium Induced Denaturation of a Trp-Cage Miniprotein. Journal of Physical Chemistry B 2011, 115 (28), 8910-8924. link

14. Paterova, J.; Heyda, J.; Jungwirth, P.; Shaffer, C. J.; Revesz, A.; Zins, E. L.; Schroder, D. Microhydration of the Magnesium(II) Acetate Cation in the Gas Phase. Journal of Physical Chemistry A 2011, 115 (25), 6813-6819. link

13. Miller, A. E.; Petersen, P. B.; Hollars, C. W.; Saykally, R. J.; Heyda, J.; Jungwirth, P. Behavior of beta-Amyloid 1-16 at the Air-Water Interface at Varying pH by Nonlinear Spectroscopy and Molecular Dynamics Simulations. Journal of Physical Chemistry A 2011, 115 (23), 5873-5880. link

12. Kubickova, A.; Krizek, T.; Coufal, P.; Wernersson, E.; Heyda, J.; Jungwirth, P. Guanidinium Cations Pair with Positively Charged Arginine Side Chains in Water. Journal of Physical Chemistry Letters 2011, 2 (12), 1387-1389. link

11. Mason, P. E.; Heyda, J.; Fischer, H. E.; Jungwirth, P. Specific Interactions of Ammonium Functionalities in Amino Acids with Aqueous Fluoride and Iodide. Journal of Physical Chemistry B 2010, 114 (43), 13853-13860. link

10. Wernersson, E.; Heyda, J.; Kubickova, A.; Krizek, T.; Coufal, P.; Jungwirth, P. Effect of Association with Sulfate on the Electrophoretic Mobility of Polyarginine and Polylysine. Journal of Physical Chemistry B 2010, 114 (36), 11934-11941. link

9. Heyda, J.; Lund, M.; Oncak, M.; Slavicek, P.; Jungwirth, P. Reversal of Hofmeister Ordering for Pairing of NH4+ vs Alkylated Ammonium Cations with Halide Anions in Water. Journal of Physical Chemistry B 2010, 114 (33), 10843-10852. link

8. Heyda, J.; Mason, P. E.; Jungwirth, P. Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water. Journal of Physical Chemistry B 2010, 114 (26), 8744-8749. link

7. Schroder, D.; Duchackova, L.; Jusinski, I.; Eckert-Maksic, M.; Heyda, J.; Tuma, L.; Jungwirth, P. Characterization of the triple ion [(CH3)(4)N+center dot PF6-center dot(CH3)(4)N+] in the gas-phase. Chemical Physics Letters 2010, 490 (1-3), 14-18. link

6. Heyda, J.; Vincent, J. C.; Tobias, D. J.; Dzubiella, J.; Jungwirth, P. Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations of N-Methylacetamide in Aqueous Salt Solutions. Journal of Physical Chemistry B 2010, 114 (2), 1213-1220. link

5. Ottosson, N.; Heyda, J.; Wernersson, E.; Pokapanich, W.; Svensson, S.; Winter, B.; Ohrwall, G.; Jungwirth, P.; Bjorneholm, O. The influence of concentration on the molecular surface structure of simple and mixed aqueous electrolytes. Physical Chemistry Chemical Physics 2010, 12 (36), 10693-10700. link

4. Vondrasek, J.; Mason, P. E.; Heyda, J.; Collins, K. D.; Jungwirth, P. The Molecular Origin of Like-Charge Arginine-Arginine Pairing in Water. Journal of Physical Chemistry B 2009, 113 (27), 9041-9045. link

3. Heyda, J.; Hrobarik, T.; Jungwirth, P. Ion-Specific Interactions between Halides and Basic Amino Acids in Water. Journal of Physical Chemistry A 2009, 113 (10), 1969-1975. link

2. Mason, P. E.; Dempsey, C. E.; Vrbka, L.; Heyda, J.; Brady, J. W.; Jungwirth, P. Specificity of Ion-Protein Interactions: Complementary and Competitive Effects of Tetrapropylammonium, Guanidinium, Sulfate, and Chloride Ions. Journal of Physical Chemistry B 2009, 113 (10), 3227-3234. link

1. Heyda, J.; Pokorna, J.; Vrbka, L.; Vacha, R.; Jagoda-Cwiklik, B.; Konvalinka, J.; Jungwirth, P.; Vondrasek, J. Ion specific effects of sodium and potassium on the catalytic activity of HIV-1 protease. Physical Chemistry Chemical Physics 2009, 11 (35), 7599-7604. link

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