2014

Pokorná Š., Jurkiewicz P., Vazdar M., Cwiklik L., Jungwirth P., Hof M.:
Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations.
Journal of Chemical Physics 141: 22D516 (2014).

Palivec V., Pluhařová E., Unger I., Winter B., Jungwirth P.:
DNA Lesion Can Facilitate Base Ionization: Vertical Ionization Energies of Aqueous 8-Oxoguanine and its Nucleoside and Nucleotide.
Journal of Physical Chemistry B 118: 13833-13837 (2014).

Kohagen M., Lepšík M., Jungwirth P.:
Calcium Binding to Calmodulin by Molecular Dynamics with Effective Polarization.
Journal of Physical Chemistry Letters 5: 3964-3969 (2014).

Mládková J., Hladílková J., Diamond C.E., Tryon K., Yamada K., Garrow T.A., Jungwirth P., Koutmos M., Jiráček J.:
Specific potassium ion interactions facilitate homocysteine binding to betaine-homocysteine S-methyltransferase.
Proteins: Structure, Function, and Bioinformatics 82: 2552-2564 (2014).

Uhlig F., Herbert J.M., Coons M.P., Jungwirth P.:
Optical Spectroscopy of the Bulk and Interfacial Hydrated Electron from Ab Initio Calculations.
Journal of Physical Chemistry A 118: 7507-7515 (2014).

Kania R., Malongwe J.K., Nachtigallová D., Krausko J., Gladich I., Roeselová M., Heger D., Klán P.:
Spectroscopic Properties of Benzene at the Air-Ice Interface: A Combined Experimental-Computational Approach.
Journal of Physical Chemistry A 118: 7535-7547 (2014).

Jungwirth P.:
Ion Pairing: From Water Clusters to the Aqueous Bulk (Editorial).
Journal of Physical Chemistry B 118: 10333-10334 (2014).

Jungwirth, P.:
Ions at Biological Interfaces.
Encyclopedia of Applied Electrochemistry, Springer, Berlin, 2014, p. 1131.

Stetter F.W.S., Cwiklik L., Jungwirth P., Hugel T.:
Single Lipid Extraction: The Anchoring Strength of Cholesterol in Liquid-Ordered and Liquid-Disordered Phases.
Biophysical Journal 107: 1167-1175 (2014).

Savolainen J., Uhlig F., Ahmed S., Hamm P., Jungwirth P.:
Direct observation of the collapse of the delocalized excess electron in water.
Nature Chemistry 6: 697-701 (2014).

Jungwirth P.:
Molecules and Ions in Motion: Computer Simulations of Biochemical and Biophysical Processes (in Czech).
Chemické listy 108: 278-284 (2014).

Kohagen M., Mason P.E., Jungwirth P.:
Accurate Description of Calcium Solvation in Concentrated Aqueous Solutions.
Journal of Physical Chemistry B 118: 7902-7909 (2014).

Pluhařová E., Baer M.D., Mundy C.J., Schmidt B., Jungwirth P.:
Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics.
Journal of Physical Chemistry Letters 5: 2235-2240 (2014).

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 118: 7119-7127 (2014).

Pluhařová E., Fischer H.E., Mason P.E., Jungwirth P.:
Hydration of the Chloride Ion in Concentrated Aqueous Solutions using Neutron Scattering and Molecular Dynamics.
Molecular Physics 112: 1230-1240 (2014).

Jungwirth P., Cremer P.S.:
Beyond Hofmeister (Commentary).
Nature Chemistry 6: 261-263 (2014).

Křížek T., Kubíčková A., Hladílková J., Coufal P., Heyda J., Jungwirth P.:
Electrophoretic mobilities of neutral analytes and markers in aqueous solutions of Hofmeister salts.
Electrophoresis 35: 617-624 (2014).

Nishino N., Hollingsworth S.A., Stern A.C., Roeselová M., Tobias D.J., Finlayson-Pitts B.J.:
Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature.
Physical Chemistry Chemical Physics 16: 2358-2367 (2014).

Gladich I., Habartová A., Roeselová M.:
Adsorption, Mobility, and Self-Association of Naphthalene and 1-Methylnaphthalene at the Water-Vapor Interface.
Journal of Physical Chemistry A 118: 1052-1066 (2014).

Vácha R., Uhlig F., Jungwirth P.:
Charges at Aqueous Interfaces: Development of Computational Approaches in Direct Contact with Experiment.
Advances in Chemical Physics 155: 69-95 (2014).

Kulig W., Tynkkynen J., Javanainen M., Manna M., Rog T., Vattulainen I., Jungwirth P.:
How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers?
Journal of Molecular Modeling 20: 2121 (2014).

Habartová A., Obisesan A., Minofar B., Roeselová M.:
Partial hydration of n-alkyl halides at the water-vapor interface: A molecular simulation study with atmospheric implications.
Theoretical Chemistry Accounts 133: 1455 (2014).

Timr Š., Bondar A., Cwiklik L., Štefl M., Hof M., Vazdar M., Lazar J., Jungwirth P.:
Accurate Determination of the Orientational Distribution of a Fluorescent Molecule in a Phospholipid Membrane.
Journal of Physical Chemistry B 118: 855 (2014).

Bartels-Rausch T., Jacobi H.-W., Kahan T.F., Thomas J.L., Thomson E.S., Abbatt J.P.D., Ammann M., Blackford J.R., Bluhm H., Boxe C., Domine F., Frey M.M., Gladich I., Guzmán M.I., Heger D., Huthwelker Th., Klán P., Kuhs W.F., Kuo M.H., Maus S., Moussa S.G., McNeill V.F., Newberg J.T., Pettersson J.B.C., Roeselová M., Sodeau J.R.:
A review of air-ice chemical and physical interactions (AICI): liquids, quasi-liquids, and solids in snow.
Atmospheric Chemistry and Physics 14: 1587-1633 (2014).