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Pluhařová E, Mason PE, Jungwirth P. Ion pairing in aqueous lithium salt solutions with monovalent and divalent counter-anions. Journal of Physical Chemistry A. 2013 Nov 21;117(46):11766-11773. https://doi.org/10.1021/jp402532e

Hladilkova J, Prokop Z, Chaloupkova R, Damborsky J, Jungwirth P. Release of halide ions from the buried active site of the haloalkane dehalogenase LinB revealed by stopped-flow fluorescence analysis and free energy calculations. Journal of Physical Chemistry Part B. 2013 Nov 21;117(46):14329-14335. https://doi.org/10.1021/jp409040u

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Štěpánková V, Paterová J, Damborský J, Jungwirth P, Chaloupková R, Heyda J. Cation-specific effects on enzymatic catalysis driven by interactions at the tunnel mouth. Journal of Physical Chemistry Part B. 2013 May 30;117(21):6394-6402. https://doi.org/10.1021/jp401506v

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Ma L, Wang J, Wang G. Search for global minimum geometries of medium sized Cd nTe n clusters (n = 15, 16, 20, 24 and 28). Chemical Physics Letters. 2012 Nov 12;552:73-77. https://doi.org/10.1016/j.cplett.2012.09.036

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Steinhauser D, Subramaniam K, Das A, Heinrich G, Klüppel M. Influence of ionic liquids on the dielectric relaxation behavior of CNT based elastomer nanocomposites. Express Polymer Letters. 2012 Nov;6(11):927-936. https://doi.org/10.3144/expresspolymlett.2012.98

Lisitsyna ES, Lygo ON, Durandin NA, Dement'eva OV, Rudoi VM, Kuzmin VA. Superquenching of SYBRGreen dye fluorescence in complex with DNA by gold nanoparticles. HIGH ENERGY CHEMISTRY. 2012 Nov;46(6):363-367. https://doi.org/10.1134/S0018143912060057

Khan MN, Tjong V, Chilkoti A, Zharnikov M. Fabrication of ssDNA/oligo(ethylene glycol) monolayers and complex nanostructures by an irradiation-promoted exchange reaction. Angewandte Chemie (International Edition). 2012 Oct 8;51(41):10303-10306. https://doi.org/10.1002/anie.201204245

Gao W, Feng Y, Lu J, Khan M, Guo J. Biomimetic surface modification of polycarbonateurethane film via phosphorylcholine-graft for resisting platelet adhesion. Macromolecular Research. 2012 Oct;20(10):1063-1069. https://doi.org/10.1007/s13233-012-0152-9

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Bardhan JP, Jungwirth P, Makowski L. Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies. Journal of Chemical Physics. 2012 Sep 28;137(12). 124101. https://doi.org/10.1063/1.4752735

Kapgate BP, Das C, Das A, Basu D, Reuter U, Heinrich G. Effect of sol-gel derived in situ silica on the morphology and mechanical behavior of natural rubber and acrylonitrile butadiene rubber blends. JOURNAL OF SOL-GEL SCIENCE AND TECHNOLOGY. 2012 Sep;63(3):501-509. https://doi.org/10.1007/s10971-012-2812-9

Pegado L, Marsalek O, Jungwirth P, Wernersson E. Solvation and ion-pairing properties of the aqueous sulfate anion: Explicit versus effective electronic polarization. Physical Chemistry Chemical Physics. 2012 Aug 7;14(29):10248-10257. https://doi.org/10.1039/c2cp40711f

Kousoulidou M, Ntziachristos L, Fontaras G, Martini G, Dilara P, Samaras Z. Impact of biodiesel application at various blending ratios on passenger cars of different fueling technologies. Fuel. 2012 Aug;98:88-94. https://doi.org/10.1016/j.fuel.2012.03.038

Mason PE, Wernersson E, Jungwirth P. Accurate description of aqueous carbonate ions: An effective polarization model verified by neutron scattering. Journal of Physical Chemistry Part B. 2012 Jul 19;116(28):8145-8153. https://doi.org/10.1021/jp3008267

Serak SV, Tabiryan NV, Assanto G. Nematicons in azobenzene liquid crystals. Molecular Crystals and Liquid Crystals. 2012 Jul 19;559:202-213. https://doi.org/10.1080/15421406.2012.658710

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Rembert KB, Paterová J, Heyda J, Hilty C, Jungwirth P, Cremer PS. Molecular mechanisms of ion-specific effects on proteins. Journal of the American Chemical Society. 2012 Jun 20;134(24):10039-10046. https://doi.org/10.1021/ja301297g

Vazdar M, Jurkiewicz P, Hof M, Jungwirth P, Cwiklik L. Behavior of 4-hydroxynonenal in phospholipid membranes. Journal of Physical Chemistry Part B. 2012 Jun 7;116(22):6411-6415. https://doi.org/10.1021/jp3044219

Ma L, Atta-Fynn R, Ray AK. Elemental and mixed actinide dioxides: An ab initio study. Journal of Theoretical and Computational Chemistry. 2012 Jun;11(3):611-629. https://doi.org/10.1142/S021963361250040X

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Rooj S, Das A, Stöckelhuber KW, Reuter U, Heinrich G. Highly exfoliated natural rubber/Clay composites by "propping-open procedure": The influence of fatty-acid chain length on exfoliation. Macromolecular Materials and Engineering. 2012 Apr;297(4):369-383. https://doi.org/10.1002/mame.201100185

Stradomska A, Kulig W, Slawik M, Petelenz P. Excited-state polarizability in crystalline sexithiophene: Charge-transfer and vibronic effects. Chemical Physics Letters. 2012 Mar 9;529:27-30. https://doi.org/10.1016/j.cplett.2012.01.038

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Marsalek O, Uhlig F, Vandevondele J, Jungwirth P. Structure, dynamics, and reactivity of hydrated electrons by Ab initio molecular dynamics. Accounts of Chemical Research. 2012 Jan 17;45(1):23-32. https://doi.org/10.1021/ar200062m

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Härkönen HH, Mattsson JM, Määttä JAE, Stenman UH, Koistinen H, Matero S et al. The Discovery of Compounds That Stimulate the Activity of Kallikrein-Related Peptidase3 (KLK3). CHEMMEDCHEM. 2011 Dec 9;6(12):2170-2178. https://doi.org/10.1002/cmdc.201100349

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Subramaniam K, Das A, Steinhauser D, Klüppel M, Heinrich G. Effect of ionic liquid on dielectric, mechanical and dynamic mechanical properties of multi-walled carbon nanotubes/polychloroprene rubber composites. European Polymer Jounal. 2011 Dec;47(12):2234-2243. https://doi.org/10.1016/j.eurpolymj.2011.09.021

Gladich I, Pfalzgraff W, Maršálek O, Jungwirth P, Roeselová M, Neshyba S. Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice. Physical Chemistry Chemical Physics. 2011 Nov 28;13(44):19960-19969. https://doi.org/10.1039/c1cp22238d

Li Y, Tao SC, Bova GS, Liu AY, Chan DW, Zhu H et al. Detection and verification of glycosylation patterns of glycoproteins from clinical specimens using lectin microarrays and lectin-based immunosorbent assays. Analytical Chemistry. 2011 Nov 15;83(22):8509-8516. https://doi.org/10.1021/ac201452f

Wernersson E, Heyda J, Vazdar M, Lund M, Mason PE, Jungwirth P. Orientational dependence of the affinity of guanidinium ions to the water surface. Journal of Physical Chemistry Part B. 2011 Nov 3;115(43):12521-12526. https://doi.org/10.1021/jp207499s

Vapaavuori J, Valtavirta V, Alasaarela T, Mamiya JI, Priimagi A, Shishido A et al. Efficient surface structuring and photoalignment of supramolecular polymer-azobenzene complexes through rational chromophore design. Journal of Materials Chemistry. 2011 Oct 21;21(39):15437-15441. https://doi.org/10.1039/c1jm12642c

Lis M, Wizert A, Przybylo M, Langner M, Swiatek J, Jungwirth P et al. The effect of lipid oxidation on the water permeability of phospholipids bilayers. Physical Chemistry Chemical Physics. 2011 Oct 21;13(39):17555-17563. https://doi.org/10.1039/c1cp21009b

Vazdar M, Vymětal J, Heyda J, Vondrášek J, Jungwirth P. Like-charge guanidinium pairing from molecular dynamics and ab initio calculations. Journal of Physical Chemistry A. 2011 Oct 20;115(41):11193-11201. https://doi.org/10.1021/jp203519p

Heikkinen JJ, Kivimäki L, Määttä JAE, Mäkelä I, Hakalahti L, Takkinen K et al. Versatile bio-ink for covalent immobilization of chimeric avidin on sol-gel substrates. Colloids and Surfaces B: Biointerfaces. 2011 Oct 15;87(2):409-414. https://doi.org/10.1016/j.colsurfb.2011.05.052

Tian Y, Bova GS, Zhang H. Quantitative glycoproteomic analysis of optimal cutting temperature-embedded frozen tissues identifying glycoproteins associated with aggressive prostate cancer. Analytical Chemistry. 2011 Sep 15;83(18):7013-7019. https://doi.org/10.1021/ac200815q

Rooj S, Das A, Heinrich G. Tube-like natural halloysite/fluoroelastomer nanocomposites with simultaneous enhanced mechanical, dynamic mechanical and thermal properties. European Polymer Jounal. 2011 Sep;47(9):1746-1755. https://doi.org/10.1016/j.eurpolymj.2011.06.007

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Uhlig F, Marsalek O, Jungwirth P. From a localized H3O radical to a delocalized H 3O+⋯e- solvent-separated pair by sequential hydration. Physical Chemistry Chemical Physics. 2011 Aug 21;13(31):14003-14009. https://doi.org/10.1039/c1cp20764d

Uusitalo MA, Peltonen J, Ryhänen T. Machine learning: How it can help nanocomputing. Journal of Computational and Theoretical Nanoscience. 2011 Aug;8(8):1347-1363. https://doi.org/10.1166/jctn.2011.1821

Heyda J, Kožíšek M, Bednárova L, Thompson G, Konvalinka J, Vondrášek J et al. Urea and guanidinium induced denaturation of a Trp-cage miniprotein. Journal of Physical Chemistry Part B. 2011 Jul 21;115(28):8910-8924. https://doi.org/10.1021/jp200790h

Linko V, Leppiniemi J, Paasonen ST, Hytönen VP, Jussi Toppari J. Defined-size DNA triple crossover construct for molecular electronics: Modification, positioning and conductance properties. Nanotechnology. 2011 Jul 8;22(27). 275610. https://doi.org/10.1088/0957-4484/22/27/275610

Liu Y, Minofar B, Desyaterik Y, Dames E, Zhu Z, Cain JP et al. Internal structure, hygroscopic and reactive properties of mixed sodium methanesulfonate-sodium chloride particles. Physical Chemistry Chemical Physics. 2011 Jul 7;13(25):11846-11857. https://doi.org/10.1039/c1cp20444k

Jagoda-Cwiklik B, Cwiklik L, Jungwirth P. Behavior of the eigen form of hydronium at the air/water interface. Journal of Physical Chemistry A. 2011 Jun 16;115(23):5881-5886. https://doi.org/10.1021/jp110078s

Miller AE, Petersen PB, Hollars CW, Saykally RJ, Heyda J, Jungwirth P. Behavior of β-amyloid 1-16 at the air-water interface at varying ph by nonlinear spectroscopy and molecular dynamics simulations. Journal of Physical Chemistry A. 2011 Jun 16;115(23):5873-5880. https://doi.org/10.1021/jp110103j

Kulig W, Kubisiak P, Cwiklik L. Steric and electronic effects in the host-guest hydrogen bonding in clathrate hydrates. Journal of Physical Chemistry A. 2011 Jun 16;115(23):6149-6154. https://doi.org/10.1021/jp111245z

Das A, Wang DY, Leuteritz A, Subramaniam K, Greenwell HC, Wagenknecht U et al. Preparation of zinc oxide free, transparent rubber nanocomposites using a layered double hydroxide filler. Journal of Materials Chemistry. 2011 May 28;21(20):7194-7200. https://doi.org/10.1039/c0jm03784b

Auer S, Nirschl M, Schreiter M, Vikholm-Lundin I. Detection of DNA hybridisation in a diluted serum matrix by surface plasmon resonance and film bulk acoustic resonators. Analytical and Bioanalytical Chemistry. 2011 May;400(5):1387-1396. https://doi.org/10.1007/s00216-011-4871-0

Takahashi H, Maruyama K, Karino Y, Morita A, Nakano M, Jungwirth P et al. Energetic origin of proton affinity to the air/water interface. Journal of Physical Chemistry Part B. 2011 Apr 28;115(16):4745-4751. https://doi.org/10.1021/jp2015676

Manna M, Mukhopadhyay C. Molecular dynamics simulations of the interactions of kinin peptides with an anionic POPG bilayer. Langmuir. 2011 Apr 5;27(7):3713-3722. https://doi.org/10.1021/la104046z

Pluhařová E, Jungwirth P, Bradforth SE, Slavíček P. Ionization of purine tautomers in nucleobases, nucleosides, and nucleotides: From the gas phase to the aqueous environment. Journal of Physical Chemistry Part B. 2011 Feb 10;115(5):1294-1305. https://doi.org/10.1021/jp110388v

Ma L, Jackson KA, Jellinek J. Site-specific polarizabilities as predictors of favorable adsorption sites on Nan clusters. Chemical Physics Letters. 2011 Feb 8;503(1-3):80-85. https://doi.org/10.1016/j.cplett.2010.12.049

Gilardi G, Asquini R, D'Alessandro A, Assanto G. An electro-optically tunable Bragg reflector based on liquid crystals. Molecular Crystals and Liquid Crystals. 2011;549:62-68. https://doi.org/10.1080/15421406.2011.581137

Vähä-Nissi M, Hirvikorpi T, Sievänen J, Salo E, Harlin A, Johansson P et al. Effect of pre-treatments on barrier properties of layers applied by atomic layer deposition onto polymer-coated substrates. In 13th European PLACE Conference 2011. Vol. 1. 2011. p. 447

Giammarco JM, Zdyrko B, Hu J, Agarwal A, Kimerling L, Carlie N et al. Enrichment polymer layers for detection of volatile vapors by ATR FT-IR. ACS National Meeting Book of Abstracts. 2011.

Petrov M, Cwiklik L, Jungwirth P. Interactions of molecular ions with model phospholipid membranes. Collection of Czechoslovak Chemical Communications. 2011;76(6):695-711. https://doi.org/10.1135/cccc2011026

Teisala H, Tuominen M, Aromaa M, Mäkelä JM, Stepien M, Saarinen JJ et al. Nanoparticle deposition on packaging materials by the liquid flame spray. In 13th European PLACE Conference 2011. Vol. 1. 2011

Dehmer M, Emmert-Streib F, Tsoy YR, Varmuza K. Quantifying structural complexity of graphs: Information measures in mathematical chemistry. In Putz MV, editor, Quantum Frontiers of Atoms and Molecules. Nova Science Publishers, Inc. 2011. p. 479-497

Dantelle G, Slablab A, Rondin L, Lainé F, Carrel F, Bergonzo P et al. Efficient production of NV colour centres in nanodiamonds using high-energy electron irradiation. Journal of Luminescence. 2010 Sep;130(9):1655-1658. https://doi.org/10.1016/j.jlumin.2009.12.003

Dehmer M, Varmuza K, Borgert S, Emmert-Streib F. On entropy-based molecular descriptors: Statistical analysis of real and synthetic chemical structures. Journal of Chemical Information and Modeling. 2009 Jul 27;49(7):1655-1663. https://doi.org/10.1021/ci900060x

Lahti J, Tuominen M, Penttinen T, Räsänen JP, Kuusipalo J. The effects of corona and flame treatment: Part 2. PE-HD and PP coated papers. In TAPPI Press - 12th European PLACE Conference 2009. Vol. 1. 2009. p. 278-314

Dehmer M, Emmert-Streib F. Structural information content of networks: Graph entropy based on local vertex functionals. Computational Biology and Chemistry. 2008 Apr;32(2):131-138. https://doi.org/10.1016/j.compbiolchem.2007.09.007

Dehmer M, Emmert-Streib F. The structural information content of chemical networks. Zeitschrift fur Naturforschung Section A: A Journal of Physical Sciences. 2008 Mar;63(3-4):155-158.

Pakarinen O, Lehtomäki A, Rintala J. Batch dark fermentative hydrogen production from grass silage: The effect of inoculum, pH, temperature and VS ratio. International Journal of Hydrogen Energy. 2008 Jan;33(2):594-601. https://doi.org/10.1016/j.ijhydene.2007.10.008

Lahtinen K, Kuusipalo J. Statistical modeling of water vapor transmission rates for extrusion-coated papers. In TAPPI 2008 PLACE Conference: Innovations in Flexible Consumer Packaging. 2008

Väisänen A, Suontamo R, Rintala J. Control of matrix interferences by the multiple linear regression model in the determination of arsenic, antimony and tin in lead pellets by inductively coupled plasma atomic emission spectrometry. Journal of Analytical Atomic Spectrometry. 2002;17(3):274-276. https://doi.org/10.1039/b108543n