Publications

Journal publications

  • [37] L. Beranova, J. Humpolickova, J. Sykora, A. Benda, L. Cwiklik, G. Grobner, M. Hof, Effect of heavy water on phospholipid membranes: experimental confirmation of molecular dynamics simulations
    submitted
  • [36] S. Pokorna, P. Jurkiewicz, L. Cwiklik, M. Vazdar, M. Hof, Interactions of monovalent salts with cationic lipid bilayers
    Faraday Discussions     2012, accepted
    DOI: 10.1039/C2FD20098H 
  • [35] P. Jurkiewicz, A. Olzynska, L. Cwiklik, E. Conte, P. Jungwirth, F.M. Megli, M. Hof, Biophysics of lipid bilayers containing oxidatively modified phospholipids: Insights from fluorescence and EPR experiments and from MD simulations
    BBA Biomembranes 2012, accepted
    DOI: 10.1016/j.bbamem.2012.05.020 
  • [34] M. Vazdar, P. Jurkiewicz, M. Hof, P. Jungwirth, L. Cwiklik, Behavior of 4-hydroxynonenal in phospholipid membranes
    Journal of Physical Chemistry B     2012, accepted
    DOI: 10.1021/jp3044219 
  • [33] P. Jurkiewicz, L. Cwiklik, A. Vojtiskova, P. Jungwirth, M. Hof, Structure, Dynamics, and Hydration of POPC/POPS Bilayers Suspended in NaCl, KCl, and CsCl
    BBA Biomembranes 2012, 1818, 609-616.
    DOI: 10.1016/j.bbamem.2011.11.033
  • [32] M. Khabiri, M. Roeselova, L. Cwiklik, Properties of Oxidized Phospholipid Monolayers: an Atomistic Molecular Dynamics Study
    Chemical Physics Letters 2012, 519-520, 93-99.
    DOI: 10.1016/j.cplett.2011.11.016  
  • [31] P. Jurkiewicz, L. Cwiklik, P. Jungwirth, M. Hof, Lipid hydration and mobility: An interplay between fluorescence solvent relaxation experiments and molecular dynamics simulations (Minireview Paper)
    Biochimie 2012, 94, 26-32.
    DOI: 10.1016/j.biochi.2011.06.027
  • [30] M. Lis, A. Wizert, M. Przybylo, M. Langner, J. Swiatek, P. Jungwirth, L. Cwiklik, The Effect of Lipid Oxidation on the Water Permeabilityof Phospholipid Bilayers
    Physical Chemistry Chemical Physics 2011, 13, 17555-17563.
    DOI: 10.1039/C1CP21009B
  • [29] L. Cwiklik, A.J.A. Aquino, M. Vazdar, P. Jurkiewicz, J. Pittner, M. Hof, H. Lischka, Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study
    Journal of Physical Chemistry A 2011, 115, 11428-11437.
    DOI: 10.1021/jp205966b 
  • [28] M. Khabiri, A. Nikouee, L. Cwiklik, S. Grissmer, R. Ettrich, Charybdotoxin unbinding from the mKv1.3 potassium channel: A Combined computational and experimental study
    Journal of Physical Chemistry B 2011, 115, 11490-11500.
    DOI: 10.1021/jp2061909
  • [27] R. Volinsky, L. Cwiklik, P. Jurkiewicz, M. Hof, P. Jungwirth, P. Kinnunen, Oxidized Phosphatidylcholines Facilitate Phospholipid Flip-flop in Liposomes
    Biophysical Journal 2011, 101, 1376-1384.
    DOI: 10.1016/j.bpj.2011.07.051
  • [26] B. Jagoda-Cwiklik, L. Cwiklik, P. Jungwirth, Behavior of the Eigen form of hydronium at the air/water interface
    Journal of Physical Chemistry A 2011, 115, 5881-5886.
    DOI: 10.1021/jp110078s
  • [25] W. Kulig, P. Kubisiak, L. Cwiklik, Steric and electronic effects in the host-guest hydrogen bonding in clathrate hydrates
    Journal of Physical Chemistry A 2011, 115, 6149-6154.
    DOI: 10.1021/jp111245z
  • [24] M. Petrov, L. Cwiklik, P. Jungwirth, Interactions of molecular ions with model phospholipid membranes
    Collection of Czechoslovak Chemical Communications 2011, 76, 695-711.
    DOI: 10.1135/cccc2011026
  • [23] N. Ottosson, L. Cwiklik, J. Soderstrom, O. Bjorneholm, G. Ohrwall, P. Jungwirth, Increased propensity of I(aq)- for the water surface in non-neutral solutions: Implications for the interfacial behavior of H3O(aq)+ and OH(aq)-
    Journal of Physical Chemistry Letters 2011, 2, 972-976.
    DOI: 10.1021/jz2003233
  • [22] L. Cwiklik, J. P. Devlin, Hindering of rotational motion of guest molecules in the Type I clathrate hydrate
    Chemical Physics Letters 2010, 494, 206-212.
    DOI: 10.1016/j.cplett.2010.06.025
  • [21] L. Beranova, L. Cwiklik, P. Jurkiewicz, M. Hof, P. Jungwirth, Oxidation Changes Physical Properties of Phospholipid Bilayers: Flueorescence Spectroscopy and Molecular Simulations
    Langmuir 2010, 26, 6140-6144.
    DOI: 10.1021/la100657a
  • [20] I.A. Monreal, L. Cwiklik, B. Jagoda-Cwiklik, J.P. Devlin, Classical to nonclassical transition of Ether-HCN clathrate hydrates at low temperature
    Journal of Physical Chemistry Letters 2010, 1, 290-294.
    DOI: 10.1021/jz900073n
  • [19] L. Cwiklik, P. Jungwirth, Massive oxidation of phospholipid membranes leads to pore creation and bilayer disintegration (Editor’s Choice paper)
    Chemical Physics Letters 2010, 486, 99-103.
    DOI: 10.1016/j.cplett.2010.01.010
  • [18] V. Buch, J. P. Devlin, I. A. Monreal, B. Jagoda-Cwiklik, N. Aytemiz-Uras, L. Cwiklik, Clathrate-Hydrates with Hydrogen-Bonding Guests (Perspective Paper)
    Physical Chemistry Chemical Physics 2009, 11, 10245-10265.
    DOI: 10.1039/b911600c
  • [17] L. Cwiklik, J.P. Devlin, V. Buch, Hydroxide impurity in ice
    Journal of Physical Chemistry A 2009, 113, 7482-7490.
    DOI: 10.1021/jp900545d
  • [16] L. Cwiklik, V. Buch, Hydroxide trapped in the interior of ice – a computational study
    (Hot Paper)
    Physical Chemistry Chemical Physics 2009, 11, 1294-1296.
    DOI: 10.1039/b820031a
  • [15] L. Cwiklik, P. Kubisiak, W. Kulig, P. Jungwirth, Reactivity of a sodium atom in vibrationally excited water clusters: An ab initio molecular dynamics study
    Chemical Physics Letters 2008, 460, 112-115.
    DOI: 10.1016/j.cplett.2008.05.075
  • [14] L. Cwiklik, U. Buck, W. Kulig, P. Kubisiak, P. Jungwirth, A Sodium Atom in a Large Water Cluster: Electron Delocalization and Infrared Spectra
    Journal of Chemical Physics 2008, 128, 154306.
    DOI: 10.1063/1.2902970
  • [13] R. Vacha, L. Cwiklik, J. Rezac, P. Hobza, P. Jungwirth, K. Valsaraj, S. Bahr, V. Kempter, Adsorption and Heterogeneous Reactions of Aromatic Hydrocarbons at Environmental Aqueous Surfaces
    Journal of Physical Chemistry A 2008, 112, 4942.
    DOI: 10.1021/jp711813p
  • [12] B. Jagoda-Cwiklik, P. Slavicek, L. Cwiklik, D. Nolting, B. Winter, P. Jungwirth, Ionization of imidazole in the gas phase, microhydrated environments, and in the aqueous solution
    Journal of Physical Chemistry A 2008, 112, 3499.
    DOI: 10.1021/jp711476g
  • [11] E.F. Aziz, S. Eisebitt, W. Eberhard, L. Cwiklik, P. Jungwirth, Existence of extended oriented ion-hydroxide clusters in concentrated aqueous solution
    Journal of Physical Chemistry B 2008, 112, 1262-1266.
    DOI: 10.1021/jp075031w
  • [10] L. Cwiklik, Influence of surface diffusion on catalytic reactivity of spatially inhomogeneous surfaces – mean field modeling
    Chemical Physics Letters 2007, 449, 304-308.
    DOI: doi:10.1016/j.cplett.2007.10.096
  • [9] B. Jagoda-Cwiklik, L. Cwiklik, Coarse grain simulations of the influence of adsorbate-adsorbate interactions on adsorption and diffusion of n-butane in silicalite-1
    Chemical Physics Letters 2007, 445, 42-46.
    DOI: 10.1016/j.cplett.2007.07.069
  • [8] L. Rulisek, O. Exner, L. Cwiklik, P. Jungwirth, I. Stary, L. Pospisil, Z. Havlas, On the Convergence of the Physico-Chemical Properties of [n]Helicenes
    Journal of Physical Chemistry C 2007, 111, 14948-14955.
    DOI: 10.1021/jp075129a
  • [7] L. Cwiklik, G. Andersson, L.X. Dang, P. Jungwirth, Segregation of inorganic ions at surfaces of polar non-aqueous liquids (Minireview Paper)
    ChemPhysChem 2007, 8, 1457-1463.
    DOI: 10.1002/cphc.200700039
  • [6] G. Andersson, H. Morgner, L. Cwiklik, P. Jungwirth, Anions of Alkali Halide Salts at Surfaces of Formamide Solutions: Concentration Depth Profiles and Surface Topography
    Journal of Physical Chemistry C 2007, 111, 4379-4387.
    DOI: 10.1021/jp067726n
  • [5] B. Winter, M. Faubel, I.V. Hertel, S.E. Bradforth, B. Jagoda-Cwiklik, L. Cwiklik, P. Jungwirth, Electron binding energies of hydrated H3O+ and OH-: Photoelectron spectroscopy of aqueous acid and base solutions combined with electronic calculations
    Journal of the American Chemical Society 2006, 128, 3864-3865.
    DOI: 10.1021/ja0579154
  • [4] L. Cwiklik, B. Jagoda-Cwiklik, M. Frankowicz, Influence of the spacing between metal particles on the kinetics of reaction with spillover on the supported metal catalyst
    Applied Surface Science 2005, 252, 778-783.
    DOI: 10.1016/j.apsusc.2005.02.107
  • [3] B. Jagoda-Cwiklik, L. Cwiklik, M. Frankowicz, Theoretical study of the influence of confinement and channel blocking on adsorption and diffusion of n-butane in silicalite-1 Applied Surface Science 2005,  252, 699-706.
    DOI: 10.1016/j.apsusc.2005.02.051
  • [2] L. Cwiklik, B. Jagoda-Cwiklik M. Frankowicz, Influence of spatial distribution of active centers on the kinetics of model heterogeneous catalytic processes
    Surface Science 2004, 572, 318-328.
    DOI: 10.1016/j.susc.2004.09.008
  • [1] B. Jagoda-Cwiklik, L. Cwiklik, M. Frankowicz, Simulations of temperature programmed desorption spectra from porous surfaces
    Applied Surface Science 2003, 219, 276-281.
    DOI: 10.1016/S0169-4332(03)00699-8

Conference presentations

  • [43] M. Khabiri, L. Cwiklik, “Structural properties of oxidized lipid monolayers based on atomistic simulations” (invited lecture), American Chemical Society Meeting, Denver, CO, USA, August 28th – September 1st, 2011
  • [42] L. Cwiklik, M. Vazdar, P. Jurkiewicz, “Interactions of Monovalent Ions With Charged Phospholipid Membranes” (oral presentation), Molecular Engineering Summer School, Uto Island, Finland, June 4-11, 2011
  • [41] L. Cwiklik, L. Sobek, M. Vazdar, P. Jurkiewicz,  A.J.A. Aquino, H. Lischka, J. Pittner, “Absorption and Fluorescence  Spectra of PRODAN in phospholipid membranes: A Mixed TDDFT/MD Study” (poster), 4th JCS Symposium for Theoretical and Computational Chemistry, Liblice, Czech Republic, May 18-20, 2011
  • [40] R. Pleskot, P. Brettlova, L. Cwiklik, M. Potocky, P. Jungwirth, V. Zarsky, “The role of exocyst Sec3 subunit as a landmark protein” (poster, presented by R. Pleskot), Annual Symposium of the Biochemical Society, Cambridge, UK, January 5-7, 2011
  • [39] L. Cwiklik, “Influence of membrane oxidation on phospholipid flip-flop” (oral presentation), 5th Prague-Wroclaw Seminar on Biophysics of Lipids, Prague, Czech Republic, November 16-19, 2010
  • [38] L. Cwiklik, P. Jungwirth, “Oxidation changes hydration and other biophysical properties of phospholipid membranes” (poster), Gordon Research Conference on Water & Aqueous Solutions, Holderness NH, USA, August 8th-13th, 2010
  • [37] L. Cwiklik, “Interfacial properties of oxidized phospholipid bilayers” (oral presentation), US-Poland Workshop and Summer School: Nanoscale Phenomena in Materials and at Interfaces, Cracow, Poland, June 6th-10th, 2010
  • [36] L. Cwiklik, “Oxidized phospholipid membranes” (oral presentation), Mini-symposium on computation of interactions in biological systems, Nove Hrady, Czech Republic, December 12th-13th, 2009
  • [35] L. Cwiklik, “Hydroxide in ice” (oral presentation), Symposium on Interfaces, The Fritz Haber Center for Molecular Dynamics, Jerusalem, Israel, May 25th-26th, 2009
  • [34] L. Cwiklik, V. Buch, “Hydroxide Ion in the Interior of Ice” (poster), Gordon Research Conference on Water & Aqueous Solutions, Holderness NH, USA, July 27th – August 1st, 2008
  • [33] L. Cwiklik, “A sodium atom in water clusters – an ab initio molecular dynamics study” (oral presentation), Current Trends in Theoretical Chemistry V, Krakow, Poland, July 6th – 10th, 2008
  • [32] L. Cwiklik, P. Jungwirth, “Ionization potential of sodium and imidazole in small water clusters – ab-initio molecular dynamics study” (poster), S3C Symposium on Size Selecter Clusters 2007, Brand, Austria, March 12th – 15th, 2007
  • [31] L. Cwiklik, P. Jungwirth, “Surfaces of non-aqueous solutions of sodium iodide” (poster), UK-V4 Frontiers of Science Symposium, Krakow, Poland, February 21st – 23rd, 2007
  • [30] L. Cwiklik, P. Jungwirth, “Surfaces of non-aqueous solutions of sodium iodide” (poster), 6th European Conference on Computational Chemistry, Tale, Slovakia, September 3rd – 7th, 2006
  • [29] M. Frankowicz, L. Cwiklik, B. Jagoda-Cwiklik, M. Chrenowski, “Mesoscopic simulations of physicochemical processes on heterogeneous surfaces” (oral presentation), IMACS 2005 World Congress – Scientific Computation, Applied Mathematics and Simulation, Paris, France, July 11th – 15th, 2005
  • [28] L. Cwiklik, B. Jagoda-Cwiklik, M. Frankowicz, “Distribution Geometry of Active Centers and Efficiency of Heterogeneous Reactions” (poster), 37th Polish Conference on Catalysis, Krakow, Poland, March 15th – 18th, 2005
  • [27] B. Jagoda-Cwiklik, L. Cwiklik, M. Frankowicz, “Simulations of adsorption and diffusion in microporous materials using Dynamic Monte Carlo methods” (poster in Polish), 37th Polish Conference on Catalysis, Krakow, Poland, March 15th – 18th, 2005
  • [26] L. Cwiklik, B. Jagoda-CwiklikM. Frankowicz, “Geometric heterogeneities and the kinetics of catalytic reactions with spillover on supported metal catalysts” (poster), Surface Heterogeneity Effects in Adsorption and Catalysis on Solids ISSHAC-5, Gdansk, Poland, August 30th – September 3rd, 2004
  • [25] B. Jagoda-Cwiklik, L. Cwiklik, M. Frankowicz, “Monte Carlo simulations of chemical reactions in microporous systems” (poster), Surface Heterogeneity Effects in Adsorption and Catalysis on Solids ISSHAC-5, Gdansk, Poland, August 30th – September 3rd, 2004
  • [24] L. Cwiklik, B. Jagoda-CwiklikM. Frankowicz, “Influence of spatial distribution of active centers on the kinetics of model heterogeneous catalytic processes” (poster in Polish), XLVII Polish Chemical Society Meeting, Wroclaw, Poland, September 12th – 17th, 2004
  • [23] L. Cwiklik, B. Jagoda-Cwiklik, M. Frankowicz, “Modelling of surface reactions with spillover effects using Monte Carlo method” (poster in Polish), 36th National Conference on Catalysis, Krakow, Poland, March 17-19, 2004
  • [22] S. Witkowski, L. Cwiklik, K. Podolska, Z. Sojka, “The mechanism of bonding of chrome(III) complexes with the surface of montmorillonite intercaleted with Al13 complexes” (poster in Polish), 36th National Conference on Catalysis, Krakow, Poland, March 17-19, 2004
  • [21] M. Frankowcz, L. Cwiklik, B. Jagoda-Cwiklik, “Mesoscopic simulation of heterogeneities on reactive surfaces” (oral presentation), XIII Krakow-Jena Seminar on Physical Chemistry, Krakow, Poland, September 30th – October 4th, 2003
  • [20] L. Cwiklik, B. Jagoda-Cwiklik, M. Frankowicz, “Modeling of chemical reactions on inhomogeneous surfaces” (oral presentation in Polish), XLVI Polish Chemical Society Meeting, Lublin, Poland, September 15-18, 2003
  • [19] B. Jagoda-Cwiklik, L. Cwiklik, M. Frankowicz, “Simulations of chemical reactions in porous systems” (poster in Polish), XLVI PTCHem and SITPChem Meeting, Lublin, Poland, September 15-18, 2003
  • [18] L. Cwiklik, B. Jagoda-Cwiklik, M. Frankowicz, “Modeling of deer migration based on the concept of active Brownian particles” (poster), International Workshop on Complex Systems in Natural and Social Sciences (CSNSS’2002), Matrafured, Hungary, October 20-24, 2002
  • [17] L. Cwiklik, B. Jagoda-Cwiklik, M. Frankowicz, “Distribution geometry of active centers and efficiency of heterogeneous reaction – stochastic simulations” (oral presentation), 3nd European Interdisciplinary School on Nonlinear Dynamics EUROATTRACTOR, Warsaw, Poland, June 18-27, 2002
  • [16] L. Cwiklik, A. Gora, M. Frankowicz, “Mesoscopic modeling of reactions on V-W-O catalyst surface”, (poster), Current Trends in Theoretical Chemistry IV – Fifty Years of Theoretical Chemistry in Poland (CTTC-IV), Krakow, Poland, June 13-15, 2002
  • [15] L. Cwiklik, B. Jagoda, M. Frankowicz, “Mesoscopic description of heterogeneous reaction kinetics” (poster), Current Trends in Theoretical Chemistry IV – Fifty Years of Theoretical Chemistry in Poland (CTTC-IV), Krakow, Poland, June 13-15, 2002
  • [14] L. Cwiklik, B. Jagoda, M. Frankowicz, “Mesoscopic modeling of surface processes – thermodesorption from porous materials and reactions on surfaces with various active sites geometries” (poster), Stochastic Processes Applied to Complex Systems: Computational Endeavors vs. Conceptual Frontiers, Bydgoszcz, Poland, May 21-23, 2002
  • [13] L. Cwiklik, B. Jagoda, M. Frankowicz, “Temperature Programmed Desorption from porous surface – a stochastic model” (poster), 34th National Conference on Catalysis, Krakow, Poland, March 20-22, 2002
  • [12] L. Cwiklik, B. Jagoda, M. Frankowicz, “Influence of temperature on morphology of Ag(001) surface sputtered with Ar+ ions – molecular dynamics and Monte Carlo simulations” (poster), 34th National Conference on Catalysis, Krakow, Poland, March 20-22, 2002
  • [11] L. Cwiklik, B. Jagoda, P. Bialic, M. Frankowicz, “Mesoscopic modeling of influence of catalyst surface structure on dynamics of heterogeneous reaction” (oral presentation), Information Systems in Chemistry (SIC’2001), Iwonicz-Zdroj, Poland, October 25-27, 2001
  • [10] L. Cwiklik, B. Jagoda, P. Bialic, M. Frankowicz, “Stochastic simulations of ecological system: how to feed deer in an optimal way” (poster), International Workshop on Complex Systems in Natural and Social Sciences (SCNSS’2001), Torun, Poland, October 18-21, 2001
  • [9] L. Cwiklik, B. Jagoda, P. Bialic, M. Frankowicz, “Mesoscopic model of TPD spectra from porous surfaces” (poster), 14th Marian Smoluchowski Symposium on Statistical Physics, Zakopane, Poland, September 9-14, 2001
  • [8] L. Cwiklik, B. Jagoda, P. Bialic, M. Frankowicz, “Stochastic simulations of TPD spectra” (poster), European Science Foundation REACTOR Workshop, Leeds, England, September 7-10, 2001
  • [7] A. Gora, L. Cwiklik, E. Broclawik, M. Frankowicz, “DFT and Cellular Automata Modeling of the V-W-O Catalyst Surface – Water Behavior” (poster), EUROPACAT V, Limerick, Ireland, September 2-7, 2001
  • [6] P. Bialic, L. Cwiklik, B. Jagoda, “Micro- and mesoscopic modeling of surface structure and dynamics” (oral presentation), 2nd European Interdisciplinary School on Nonlinear Dynamics EUROATTRACTOR, Warsaw, Poland, June 19-28, 2001
  • [5] L. Cwiklik, M. Frakowicz, A. Gora, “From micro- to meso-level calculations: DFT and Cellular Automata Modeling of V-W-O Catalyst Surface” (poster), 17th North America Catalysis Society Meeting, Toronto, Canada, June 3-8, 2001
  • [4] A. Gora, L. Cwiklik, M. Frankowicz, “Modelling of water dissociation dynamics on V-W-O surface – DFT and cellular automata” (poster), 33th National Conference on Catalysis, Krakow, Poland, March, 2001
  • [3] P. Bialic, L. Cwiklik, B. Jagoda, M. Frankowicz, “Mesoscopic simulations of heterogeneous catalytic systems” (poster), European Science Foundation REACTOR Workshop, Palermo, Sicily, January 18-20, 2001
  • [2] L. Cwiklik, B. Jagoda, P. Bialic, M. Frankowicz, “Modelling of surface reactions on micro- and mesoscopic level” (poster), International Workshop on Complex Systems in Natural and Social Sciences (SCNSS’2000), Zakopane, Poland, October 5-8, 2000
  • [1] B. Jagoda, L. Cwiklik, P. Bialic, “Cellular automata modelling of surface reactions” (poster), 13th Marian Smoluchowski Symposium on Statistical Physics, Zakopane, Poland, September 6-12, 2000

Other publications

  • [3] L. Cwiklik et al., Spillover on supported catalysts – Dynamic Monte Carlo study, arxiv.org/physics/0409153
  • [2] L. Cwiklik, B. Jagoda-Cwiklik M. Frankowicz, Distribution Geometry of Active Centers and Efficiency of Heterogeneous Reaction, in: Ed. W. Klonowski, Simplicity behind Complexity (ISBN 1-59326-065-2, PABST Science Publishers, 2004)
  • [1] P. Bialic, L. Cwiklik, B. Jagoda, “Application of Cellular Automata Techniques to Modeling of Surface Phenomena in Chemical Systems”, in: Ed. W. Klonowski, From Quanta to Societies (ISBN 1-59326-000-8, PABST Science Publishers, 2002)