Impaktované zahraniční publikace (podle WoS)

2013 (38)

  1. Adegboyega NF, Sharma* VK, Siskova K, Zboril R, Sohn M, Schultz J, Banerjee S: Interactions of Aqueous Ag+ with Fulvic Acids: Mechanisms of Silver Nanoparticle Formation and Investigation of Stability. Environ. Sci. Technol., 47(2), 757-754, 2013 (Am. Chem. Soc., -1)
  2. Achari A, Datta KKR, De M, Dravid V, Eswaramoorthy M: Amphiphilic Aminoclay-RGO Hybrids: A Simple Strategy to Disperse High Concentration of RGO in Water. Nanoscale, ASAP, 2013 (RSC Publishing, -2)
  3. Baratella D, Magro M, Sinigaglia G, Zboril R, Salviulo G, Vianello F: A glucose biosensor based on surface active maghemite nanoparticles. Biosensors Bioelectronic, 45, 13-18, 2013 (Elsevier,-1)
  4. Bikas R, Hosseini-Monfared H, Zoppellaro G, Herchel R, Tucek J, Owczarzak AM, Kubicki M, Zboril R: Synthesis, structure, magnetic properties and theoretical calculations of methoxy bridged dinuclear iron(III) complex with hydrazone based O,N,N-donor ligand. Dalton Trans., 42, 2803-2812, 2013 (RSC Publishing,-3)
  5. Denisiuk A, Schubert V, Wolter FE, Irran E, Trouillas P, Süssmuth RD: Conformational investigation of antibiotic proximicin by X-ray structure analysis and quantum studies suggest a stretched conformation of this type of gamma-peptide. Bioorg. Med. Chem., ASAP, 2013 (Science Direct, -2)
  6. Di Meo F, Lemaur V, Cornil J, Lazzaroni R, Duroux JL, Olivier Y, Trouillas* P: Free Radical Scavenging by Natural Polyphenols: Atom versus Electron Transfer. J. Phys. Chem. A, 117(10), 2082-2092, 2013 (Am. Chem. Soc. ,MZ12-2)
  7. Dubecky F, Dubecky M, Hubik P, Kindl D, Gombia E, Baldini M, Necas, V: Unexpected current lowering by a low work-function metal contact: Mg/SI–GaAs. Solid State Electron., 82, 72-76, 2013 (Science Direct,MZ12-2)
  8. Granatier J, Dubecky M, Lazar P, Otyepka* M, Hobza* P: Spin-Crossing in an Organometallic Pt-Benzene Complex. J. Chem. Theory Comput, 9 (3), 1461-1468, 2013 (Am. Chem. Soc.,MZ12-2)
  9. Halouzka V, Hrbac* J, Jirovsky D, Riman D, Jakubec P, Bartosova Z, Masek V, Mojzes V, Vacek J: Electrochemical Pretreatment of Carbon Fiber Microelectrodes Based on Sinusoidal-wave Potential Cycling and its Application to Amperometric Sensing of Bioactive Compounds. Curr. Anal. Chem., 9 (2), 305-311, 2013 (Ingenta,N)
  10. Halouzka V, Jakubec P, Kvitek L, Likodimos V, Kontos AG, Papadopoulos K, Falaras P, Hrbac* J: Deposition of Nanostructured Ag Films on Silicon Wafers by Electrochemical/Electrophoretic Deposition or Electrochemical and SERS Sensing. J. Electrochem. Soc., 160 (4), B54-B59, 2013 (Electrochem. Soc.,-5)
  11. Havlikova* M, Huliciak M, Bazgier V, Berka K, Kubala M: Fluorone dyes have binding sites on both cytoplasmic and extracellular domains of Na,K-ATPase. Biochim. Biophys. Acta - Biomembranes, 1828(2), 568-576, 2013 (Elsevier,MZ11-2)
  12. Havrdova M, Polakova K, Kubinek R, Skopalik J, Markova Z, Brezina V, Nebesarova J, Paucek P, Zboril R: Real-Time Imaging of SPION Modified Stem Cells. Biophys. J. 104(2), 674a, 2013 (Elsevier, -1)
  13. Hostaš J, Řezáč J, Hobza* P: On the performance of the semiempirical quantum mechanical PM6 and PM7 methods for noncovalent interactions. Chem. Phys. Lett., 568, 161-166, 2013 (Science Direct,MZ12-2)
  14. Krepl M, Otyepka M, Banas P, Sponer* J: Effect of Guanine to Inosine Substitution on Stability of Canonical DNA and RNA Duplexes: Molecular Dynamics Thermodynamics Integration Study. J. Phys. Chem. B, 117(6), 1872-1879, 2013 (Am. Chem. Soc.,MZ12-2)
  15. Krajewski S, Prucek R, Panacek A, Avci-Adali M, Nolte A, Straub A, Zboril R, Wendel HP, Kvitek L: Hemocompatibility evaluation of different silver nanoparticle concentrations employing a modified Chandler-loop in vitro assay on human blood. Acta Biomater., ASAP, 2013 (Science Direct,-5)
  16. Krishna KS, Maity S, Datta KKR: Carbon Spheres Assisted Synthesis of Porous Oxides with Foam-Like Architecture. J. Nanosci. Nanotech., 13(4), 3121-3126, 2013 (Ingenta Connect,MZ12-2)
  17. Kuhrova P, Banas* P, Best RB, Sponer J, Otyepka* M: Computer folding of RNA tetraloops? Are we there yet? J. Chem. Theory Comput., 9(4), 2115-2125, 2013 (Am. Chem. Soc.,MZ12-2)
  18. Kumar AS, Datta KKR, Rao TS, Raghavan KV, Eswaramoorthy M, Reddy BVS: Aminoclay-Supported Copper Nanoparticles for 1,3-Dipolar Cycloaddition of Azides with Alkynes via Click Chemistry. J. Nanosci. Nanotech., 13(4), 3136-3141, 2013 (Ingenta Connect,MZ12-2)
  19. Lazar P, Zhang S, Safarova K, Li Q, Froning JP, Granatier J, Hobza P, Zboril R, Besenbacher F, Dong* M, Otyepka* M: Quantification of the Interaction Forces between Metals and Graphene by Quantum Chemical Calculations and Dynamic Force Measurements under Ambient Conditions. ACS Nano, 7(2), 1646-1651, 2013 (Am. Chem. Soc.,MZ12-2)
  20. Lazar P, Karlicky F, Jurecka P, Kocman M, Otyepkova E, Safarova K, Otyepka* M: Adsorption of Small Organic Molecules on Graphene. J. Am. Chem. Soc., 135(16), 6372-6377, 2013 (Am. Chem. Soc.,MZ12-2)
  21. Liaros N, Aloukos P, Kolokithas-Ntoukas A, Bakandritsos A, Szabo T, Zboril R, Couris S: Nonlinear Optical Properties and Broadband Optical Power Limiting Action of Graphene Oxide Colloids. J. Phys. Chem. C, 117(13), 6842-6850, 2013 (Am. Chem. Soc., -1)
  22. Magro M, Baratella D, Pianca N, Toninello A, Grancara S, Zboril R, Vianello* F: Electrochemical determination of hydrogen peroxide production by isolated mitochondria: a novel nanocomposite carbon-maghemite nanoparticle electrode. Sens. Actuator B-Chem., 176, 315-322, 2013 (Elsevier, -1)
  23. Mladek A, Krepl M, Svozil D, Cech P, Otyepka M, Banas P, Zgarbova M, Jurecka P, Sponer J: Benchmark quantum-chemical calculations on complete set of rotameric families of DNA sugar phosphate backbone and their comparison with modern Density Functional Theory. Phys. Chem. Chem. Phys., 15, 7295-7310, 2013 (RSC,MZ12-2)
  24. Paloncyova M, Berka K, Otyepka M: Molecular Insight to Affinities of Drugs and Their Metabolites to Lipid Bilayers. J. Phys. Chem. B, 117(8), 2403-2410, 2013 (Am. Chem. Soc.,MZ12-2)
  25. Panáček A, Balzerová A, Prucek R, Ranč V, Večeřová R, Husičková V, Pechoušek J, Filip J, Zbořil R, Kvítek L: Preparation, characterization and antimicrobial efficiency of Ag/PDDA-diatomite nanocomposite. Colloids Surf. B, ASAP, 2013 (Wiley,-5)
  26. Pecova M, Sebela M, Markova Z, Cuda J, Safarova K, Zboril R: Thermostable trypsin conjugates immobilized to biogenic magnetite show a high operational stability and remarkable reusability for protein digestion. Nanotechnology, 24 (12), 125102, 2013 (IOP Science,-1)
  27. Podloucka P, Berka K, Fabre G, Paloncyova M, Duroux JL, Otyepka M, Trouillas P: Lipid Bilayer Membrane Affinity Rationalizes Inhibition of Lipid Peroxidation by a Natural Lignan Antioxidant. J. Phys. Chem. B, 117 (17), 5043–5049, 2013 (Am. Chem. Soc.,MZ12-2)
  28. Praus P, Turicová M, Karlíková M, Kvítek L, Dvorský R: Nanocomposite of montmorillonite and silver nanoparticles: Characterization and application in catalytic reduction of 4-nitrophenol. J. Mat. Chem. Phys., 47(7), 3283-3292, 2013 (Elsevier,N)
  29. Prucek R, Tucek J, Kolarik J, Filip J, Marusak Z, Sharma VK, Zboril R: Ferrate(VI)-Induced Arsenite and Arsenate Removal by in Situ Structural Incorporation into Magnetic Iron(III) Oxide Nanoparticles. Env. Sci. Technol., 47(7), 3283-3292, 2013 (Am. Chem. Soc.,-5)
  30. Pykal M, Safarova K, Machalova Siskova K, Jurecka P, Bourlinos AB, Zboril R,Otyepka M. Lipid Enhanced Exfoliation for Production of Graphene Nanosheets. J. Phys. Chem. C, accepted, 2013 (Am. Chem. Soc.,-2)
  31. Riley KE, Hobza* P: On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines. Acc. Chem. Res., 46(4), 927-936, 2013 (Am. Chem. Soc.,MZ12-2)
  32. Řezáč* J, Hobza P: Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the “Gold Standard,” CCSD(T) at the Complete Basis Set Limit? J. Chem. Theory Comput., accepted, 2013 (Am. Chem. Soc.,-2)
  33. Řezáč* J, Šimová L, Hobza* P: CCSD[T] Describes Noncovalent Interactions Better than the CCSD(T), CCSD(TQ), and CCSDT Methods. J. Chem. Theory Comput., 9(1), 346-369, 2013 (Am. Chem. Soc.,MZ11-2)
  34. Sedlak R, Riley* KE, Rezac J, Pitonak M, Hobza* P: MP2.5 and MP2.X: Approaching CCSD(T) Quality Description of Noncovalent Interaction at the Cost of a Single CCSD Iteration. Chem. Phys. Chem., 14(4), 698-707, 2013 (Wiley,MZ12-2)
  35. Trávnicek* Z, Zboril R, Matikova-Malarova M, Drahos B, Cernak J: Thermal decomposition of [Co(en)3][Fe(CN)6]ž2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation. Chem. Cent. J., 7(28), 2013 (Chemistry Central,-3)
  36. Trouillas P, Marchetti C, Bonnefont-Rousselot D, Lazzaroni R, Jore D, Gardes-Albert M, Collin F: Mechanism of one-electron oxidation of metformin in aqueous solution. Phys. Chem. Chem. Phys., ASAP, 2013 (RSC Publishing,-2)
  37. Velu SS, Di Meo F, Trouillas* P, Sancho-Garcia JC, Weber JFF: Free Radical Scavenging by Natural Polyphenols: Regio- and Stereocontrolled Synthesis of Oligostilbenoids: Theoretical Highlights at the Supramolecular Level. J. Nat. Prod., accepted, 2013 (Am. Chem. Soc. ,-2)
  38. Zgarbova M, Luque F. J., Sponer J, Cheatham T., Otyepka M, Jurecka P: Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters. J. Chem. Theory Comput, accepted, 2013(Am. Chem. Soc.,-2)
skrýt
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2012 (68)

  1. Aparicio C, Filip* J, Skogby H, Marusak Z, Mashlan M, Zboril R; Thermal behavior of almandine at temperatures up to 1,200°C in hydrogen. Phys. Chem. Miner., 39(4), 311-318, 2012 (Springer,MZ8-5)
  2. Aparicio C, Machala* L, Marusak Z; Thermal decomposition of Prussian blue under inert atmosphere. J. Therm. Anal. Calorim., 110, 661-669, 2012 (Springer,-1)
  3. Baikousi M, Bourlinos AB, Douvalis A, Bakas T, Anagnostopoulos DF, Tucek J, Safarova K, Zboril R, Karakassides* MA; Synthesis and Characterization of alpha-Fe2O3/ carbon hybrids and their application in removal of hexavalent chromium ions from aqueous solutions. Langmuir, 28(8), 3918-3930, 2012 (Am. Chem. Soc.,MZ8-2)
  4. Baikousi M, Dimos K, Bourlinos AB, Zboril R, Papadas I, Deligiannakis Y, Karakassides* MA; Surface decoration of carbon nanosheets with amino-functionalized organosilica nanoparticles. App. Surf. Sci., 258(8), 3703-3709, 2012 (ScienceDirect,MZ8-2)
  5. Bakandritsos A, Papagiannopoulos A, Anagnostou EN, Avgoustakis K, Zboril R, Pispas S, Tucek J, Ryukhtin V, Bouropoulos N, Kolokithas-Ntoukas A, Steriotis TA, Keiderling U, Winnefeld F: Merging High Doxorubicin Loading with Pronounced Magnetic Response and Bio-repellent Properties in Hybrid Drug Nanocarriers. Small, 8, 2381-2393, 2012 (Wiley,-1)
  6. Banas P, Mladek A, Otyepka M, Zgarbova M, Jurecka P, Svozil D, Lankas F, Sponer J; Can we accurately describe the structure of adenine tracts in B-DNA? Reference quantum-chemical computations reveal overstabilization of stacking by molecular mechanics. J. Chem. Theory Comput, 8(7), 2448-2460, 2012 (Am. Chem. Soc.,MZ9-2)
  7. Banas P, Sklenovsky P, Wedekind J, Sponer J, Otyepka M; Molecular Mechanism of preQ1 Riboswitch Action: A Molecular Dynamics Study. J. Phys. Chem. B, 116, 2012, 12721-12734 (Am. Chem. Soc.,MZ10-2)
  8. Bancirova M: Black and green tea - Luminol false-negative bloodstains detection. Sci. Justice, 52 (2), 102-105, 2012 (ScienceDirect,n)
  9. Bartosova Z, Riman D, Jakubec P, Halouzka V, Hrbac J, Jirovsky D: Electrochemically Pretreated Carbon Microfiber Electrodes as Sensitive HPLC-EC Detectors. Sci. World J., 2012, 295802 (TSWJ,n)
  10. Berka K, Anzenbacherova E, Hendrychova T, Lange R, Masek V, Anzenbacher P, Otyepka M: Binding of Quinidine Radically Increases the Stability and Decreases the Flexibility of the Cytochrome P450 2D6 Active Site. J. Inorg. Biochem., 110, 46-50, 2012 (ScienceDirect,MZ8-2)
  11. Berka K, Hanak O, Sehnal D, Banas P, Navratilova V, Jaiswal D, Ionescu CM, Svobodova Varekova R, Koca* J, Otyepka* M; MOLEonline 2.0: Interactive Web-based Analysis of Biomacromolecular Channels. Nuc. Acids Res., 40(W1), W222-W227, 2012 (Oxford Journals,MZ9-2)
  12. Besseova I, Banas P, Kuhrova P, Kosinova P, Otyepka M, Sponer J; Simulations of A-RNA Duplexes. The Effect of Sequence, Solute Force Field, Water Model and Salt Concentration. J. Phys. Chem. B, 116(33), 9899-9916, 2012 (Am. Chem. Soc., MZ10-2)
  13. Bourlinos AB, Bakandritsos A, Liaros N, Couris S, Safarova K, Otyepka M, Zboril R: Water Dispersible Functionalized Graphene Fluoride with Significant Nonlinear Optical Response. Chem. Phys. Lett., 543, 101-105, 2012 (ScienceDirect, MZ10-2)
  14. Bourlinos AB, Bakandritsos A, Kouloumpis A, Gournis D, Krysmann M, Giannelis EP, Polakova K, Safarova K, Hola K, Zboril, R: Gd(III)-doped carbon dots as a dual fluorescent-MRI probe. J. Mater. Chem., 22(44), 23327-23330, 2012 (RSCPublishing,MZ11-2)
  15. Bourlinos AB, Georgakilas V, Bakandritsos A, Kouloumpis A, Gournis D, Zboril R: Aqueous-dispersible fullerol-carbon nanotube hybrids. Mater. Lett., 82, 48-50, 2012 (ScienceDirect,MZ9-2)
  16. Bourlinos AB, Safarova K, Siskova K, Zboril* R; The production of chemically converted graphenes from graphite fluoride. Carbon, 50(3), 1425-1428, 2012 (ScienceDirect,MZ7-2)
  17. Bourlinos AB, Zboril* R, Petr J, Bakandritsos A, Krysmann M, Giannelis* EP: Luminescent Surface Quaternized Carbon Dots. Chem. Mater., 24, 6-8, 2012 (Am. Chem. Soc.,MZ7-2)
  18. Dimos* K, Jankovic L, Koutselas* IB, Karakassides MA, Zboril R, Komadel P; Low-Temperature Synthesis and Characterization of Gallium Nitride Quantum Dots in Ordered Mesoporous Silica. J. Phys. Chem. C, 116(1), 1185-1194, 2012 (Am. Chem. Soc.,MZ9-1)
  19. Douvalis AP, Zboril R, Bourlinos AB, Tucek J, Spyridi S, Bakas T: A facile synthetic route toward air-stable magnetic nanoalloys with Fe-Ni/Fe-Co core and iron oxide shell. J. Nanomat. Res., 14(9), 1130, 2012 (Springer,-1)
  20. Frydrych J, Machala L, Tucek J, Siskova K, Filip J, Pechousek J, Safarova K, Vondracek M, Seo JH, Schneeweiss O, Grätzel M, Sivula K, Zboril R: Facile fabrication of tin-doped hematite photoelectrodes - Effect of doping on magnetic properties and performance for light-induced water splitting. J. Mater. Chem., 22(43), 23232-23239, 2012 (RSCPublishing, -1)
  21. Georgakilas V, Otyepka M, Bourlinos AB, Chandra V, Kim N, Kemp KC, Hobza P, Zboril* R, Kim* KS; Functionalization of Graphene; Covalent and Non-Covalent Approaches, Derivatives and Applications. Chem. Rev., 112(11), 6156-6214, 2012 (Am. Chem. Soc.,MZ11-2)
  22. Granatier J, Lazar P, Prucek R, Safarova K, Zboril R, Otyepka M, Hobza P; Interaction of Graphene and Arenes with Noble Metals. J. Phys. Chem. C, 116(26), 14151-14162, 2012 (Am. Chem. Soc.,MZ9-2)
  23. Granatier* J, Pitonak* M, Hobza P: Accuracy of Several Wave Function and Density Functional Theory Methods for Description of Noncovalent Interaction of Saturated and Unsaturated Hydrocarbon Dimers. J. Chem. Theory Comput, 8(7), 2282-2292, 2012 (Am. Chem. Soc.,n)
  24. Haldar S, Kolar M, Sedlak R, Hobza* P: Adsorption of Organic Electron Acceptors on Graphene-like Molecules: Quantum Chemical and Molecular Mechanical Study. J. Phys. Chem. C, 116(48), 25328-25336, 2012 (Am. Chem. Soc.,MZ11-2)
  25. Hendrychova T, Berka K, Navratilova V, Anzenbacher P, Otyepka M: Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P540 Probed by Molecular Dynamics Simulations. Curr. Drug. Metab., 13(2), 177-189, 2012 (CDM,MZ7-2)
  26. Hobza* P: Calculations on Noncovalent Interactions and Databases of Benchmark Interaction Energies. Acc. Chem. Res., 45(4), 663, 2012 (Am. Chem. Soc.,MZ8-2)
  27. Jakubec P, Bancirova M, Halouzka V, Lojek A, Ciz M, Denev P, Cibicek N, Vacek J, Vostalova J, Ulrichová J, Hrbac* J: Electrochemical sensing of total antioxidant capacity and polyphenol content in wine samples using amperometry on-line coupled with microdialysis. J. Agric. Food Chem., 60(32), 7836-7843, 2012 (Am. Chem. Soc.,n)
  28. Kalbac M*, Kong J, Kavan L, Dresselhaus MS: Raman spectroscopy of isotopically labeled two-layer graphene. Phys. Status Solidi B, 249(12), 2500-2502, 2012 (Wiley, n)
  29. Kalbacova M, Broz A, Kalbac* M; Influence of the fetal bovine serum proteins on the growth of human osteoblast cells on graphene. J. Biomed. Mater. Res. Part A, 100A(11), 3001-3007, 2012 (Wiley, n)
  30. Karlický F.*, Otyepka M., Schroeder D.*: Ligand effects on single-electron transfer of isolated iron atoms in the gaseous complexes [(OC)mFe(OH2)n]+ (m, n = 0 - 2, m + n = 1, 2), Int. J. Mass Spectrom., 330-332, 95-99, 2012 (ScienceDirect, MZ11-2)
  31. Karlický F.*, Zbořil R., Otyepka M.*: Band gaps and structural properties of graphene halides and their derivates: A hybrid functional study with localized orbital basis sets, J. Chem. Phys., 137(3), 034709, 2012 (Am. Inst. Phys.,MZ9-2)
  32. Kolar M, Hobza* P: On Extension of the Current Biomolecular Empirical Force Field for the Description of Halogen Bonds. J. Chem. Theory Comput., 8 (4), 1325-1333, 2012 (Am. Chem. Soc.,MZ9-2)
  33. Kosinova P, Berka K, Wykes M, Otyepka M, Trouillas P: Positioning of Antioxidant Quercetin and Its Metabolites in Lipid Bilayer Membranes: Implication for Their Lipid-Peroxidation Inhibition. J. Phys. Chem. B, 116 (4), 1309-1318, 2012 (Am. Chem. Soc.,MZ7-2)
  34. Kraus M, Pitonak M, Hobza P, Urban M, Neogrady* P: Highly Correlated Calculations Using Optimized Virtual Orbital Space with Controlled Accuracy. Application to Counterpoise Corrected Interaction Energy Calculations. Int. J. Quant. Chem., 112, 2012, 948-959 (Wiley,n)
  35. Krepl M, Zgarbova M, Stadlbauer P, Otyepka M, Banas P, Koca J, Cheatham TE, Jurecka P, Sponer* J: Reference simulations of noncanonical nucleic acids with different ? variants of the AMBER force field: quadruplex DNA, quadruplex RNA and Z-DNA. J. Chem. Theory Comput., 8(7), 2506-2520, 2012 (Am. Chem. Soc.,MZ9-2)
  36. Kuhrova P, de Simone A, Otyepka M, Best* RR: Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign. Biophys J. 102(8), 1897-1906, 2012 (Biophys. Soc.,MZ8-2)
  37. Lazar P, Otyepka* M: Dissociation of Water on Iron Surfaces: Generalized Gradient Functional and Range-Separated Hybrid Functional Study. J. Phys. Chem. C, 116 (48), 25470–25477, 2012 (Am. Chem. Soc.,MZ11-2)
  38. Macikova P, Halouzka V, Hrbac J, Bartak P, skopalova J: Electrochemical Behavior and Determination of Rutin on Modified Carbon Paste Electrodes. Sci. World J., 2012, 394756 (TSWJ,n)
  39. Magro M, Sinigaglia G, Nodari L, Tucek J, Polakova K, Marusak Z, Cardillo S, Salviulo G, Russo U, Stevanato R, Zboril* R, Vianello* F; Charge binding of rhodamine derivative to OH - stabilized nanomaghemite: Universal nanocarrier for construction of magnetofluorescent biosensors. Acta Biomat., 8(6), 2068-2076, 2012 (ScienceDirect,-1)
  40. Magro M, Faralli A, Baratella D, Bertipaglia I, Giannetti S, Salviulo G, Zboril R, Vianello* F: Avidin Functionalized Maghemite Nanoparticles and Their Application for Recombinant Human Biotinyl-SERCA Purification. Langmuir, 28 (43), 2012, 15392-15401 (Am. Chem. Soc.,-1)
  41. Maity D, Zoppellaro G, Sedenkova V, Tucek J, Safarova K, Polakova K, Tomankova K, Diwoky C, Stollberger R, Machala L, Zboril R: Surface design of core-shell superparamagnetic iron oxide nanoparticles drives record relaxivity values in functional MRI contrast agents. Chem. Commun., 48 (93), 2012, 11398-11400 (RSCPublishing,-1)
  42. Markova I, Polakova K, Tucek P, Mashlan M, Novak P, Zboril R, Herman M; MR enterography with a new negative oral contrast solution containing maghemite nanoparticles Biomed. Papers - Olomouc, 156(3), 229-235, 2012 (Pal. Univ.,-1)
  43. Markova Z, Siskova K, Filip J, Safarova K, Prucek R, Panacek A, Kolar M, Zboril R: Chitosan-based synthesis of magnetically-driven nanocomposites with biogenic magnetite core, controlled silver size, and high antimicrobial activity. Green Chem., 14, 2550-2558, 2012 (RSCPublishing,-1)
  44. Markova Z, Bourlinos AB, Safarova K, Polakova K, Tucek J, Medrik I, Siskova K, Petr J, Krysmann M, Gianellis EP, Zboril R: Synthesis and properties of core–shell fluorescent hybrids with distinct morphologies based on carbon dots. J. Mater. Chem. 22(32), 16219-16223, 2012 (RSCPublishing,-1)
  45. Marsalek B, Jancula D, Marsalkova E, Mashlan M, Safarova K, Tucek J, Zboril* R: Multimodal Action and Selective Toxicity of Zerovalent Iron Nanoparticles against Cyanobacteria. Environ. Sci. Technol., 46(6), 2012, 2316-2323 (Am. Chem. Soc.,MZ8-2)
  46. Miglierini T, Hatala T, Frydrych J, Safarova K: Surface crystallization of Co-containing NANOPERM-type alloys. Hyperfine Inter., 203(1-3), 125-128, 2012 (Springer,MZ8-1)
  47. Miglierini T, Kohout J, Lancok A, Safarova K: Magnetic Hyperfine Fields of Nanoperm Alloys. Acta Phys. Pol., 121, 1263, 2012 (APP,MZ9-1)
  48. Niu H, Wang J, Chen X-Q, Li D, Li Y, Lazar P, Podloucky R, Kolmogorov AM: Structure, bonding, and possible superhardness of CrB4. Phys. Rev. B, 144116, 2012 (Am. Phys. Soc.,MZ8-2)
  49. Otyepka M, Berka K, Anzenbacher P: Is There a Relationship Between the Substrate Preferences and Structural Flexibility of Cytochromes P450? Curr. Drug. Metab., 13(2), 130-142, 2012 (CDM,MZ7-2)
  50. Paloncyova M, Berka* K, Otyepka* M: Convergence of Free Energy Profile of Coumarin in Lipid Bilayer. (with Cover Art) J. Chem. Theory Comput., 8(4), 1200-1211, 2012 (Am. Chem. Soc.,MZ8-2)
  51. Prucek R, Ranc V, Kvitek L, panacek A, Zboril R, Kolar M; Reproducible discrimination between Gram-positive and Gram-negative bacteria using surface enhanced Raman spectroscopy with infrared excitation. Analyst, 137, 2866-2870, 2012 (RSC,-5)
  52. Ranc* V, Hruzikova J, Maitner K, Prucek R, Milde D, Kvitek L; Quantification of purine basis in their mixtures at femto-molar concentration levels using FT-SERS. J. Raman Spectrosc., 43(8), 971-976, 2012 (Wiley,-5)
  53. Rezac* J, Hobza P: Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods. J. Chem. Theory Comput., 8 (1), 141-151, 2012 (Am. Chem. Soc.,MZ7-2)
  54. Rezac* J, Riley KE, Hobza P: Evaluation of the Performance of Post-Hartree-Fock Methods in Terms of Intermolecular Distance in Noncovalent Complexes. J. Comp. Chem., 33, 691-694, 2012 (Wiley,MZ8-2)
  55. Rezac* J, Riley KE, Hobza P: Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules. J. Chem. Theory Comput., 8 (11), 4285-4292, 2012 (Am. Chem. Soc.,MZ11-2)
  56. Rezanka M, Rezanka P, Mika P, Perliková P, Berka K: Correspondence Seminar Inspired by Chemistry Topics (KSICHT). Chem. Listy, 106(4), 319-322, 2012 (Chem. Listy,MZ8-2)
  57. Riley* KE, Platts JA, Rezac J, Hobza P, Hill JG: Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions. J. Phys. Chem. A, 116 (16), 4159-4169, 2012 (Am. Chem. Soc.,MZ9-2)
  58. Riley KE, Rezac J, Hobza P: The Performance of MP2.5 and MP2.X Methods for Nonequilibrium Geometries of Molecular Complexes. Phys. Chem. Chem. Phys., 14, 13187-13193, 2012 (RSC Publ.,MZ10-2)
  59. Sinigaglia G, Magro M, Miotto G, Cardillo S, Agostinelli E, Zboril R, Bidollari E, Vianello F: Catalytically active bovine serum amine oxidase bound to fluorescent and magnetically drivable nanoparticles. Int. J. Medicine, 7, 2249-2259, 2012 (DovePress,-1)
  60. Siskova K, Becicka O, Masek V, Safarova K, Zboril R: Spacer-free SERRS spectra of unperturbed porphyrin detected at 100 fM concentration in Ag hydrosols prepared by modified Tollens method. J. Raman. Spec., 43(6), 689-691, 2012 (Wiley,-5)
  61. Siskova K, Tucek J, Machala L, Otyepkova E, Filip J, Safarova K, Pechousek J, Zboril R: Air-Stable nZVI Formation Mediated by Glutamic Acid: Solid-State Storable Material Exhibiting 2D Chain Morphology and High Reactivity in Aqueous Environment. J. Nanopart. Res., 14:805, 2012 (Springer,MZ8-5)
  62. Sponer J, Otyepka M, Banas P, Reblova K, Walter NG: Molecular Dynamics Simulations of RNA Molecules. Innovations in Biomolecular Modeling and Simulations (Chap. 6), 2, 129-155, 2012 (RSC Publ.,MZ9-2)
  63. Sponer J, Mladek A, Sponer JE, Svozil D, Zgarbova M, Banas P, Jurecka P, Otyepka M: DNA and RNA sugar-phosphate backbone emerges as the key player. Overview of quantum-chemical, structural biology and simulation studies. Phys. Chem. Chem. Phys., 14, 15257-15277, 2012 (RSC Publ.,MZ10-2)
  64. Tselepidou A, Drosos M, Stathi P, Bourlinos AB, Zboril R, Deligiannakis Y; A water-dispersible, carboxylate-rich carbonaceous solid: synthesis, heavy metal uptake and EPR study. J. Mater. Sci., 47(7), 3140-3149, 2012 (Springer,MZ8-2)
  65. Zatloukalová M, Orolinova E, Kubala M, Hrbac J, Vacek J: Electrochemical Determination of Transmembrane Protein Na+/K+-ATPase and Its Cytoplasmic Loop C45. Electroanalysis, 24, 1758–1765. 2012 (Wiley,n)
  66. Zboril R, Andrle M, Oplustil F, Machala L, Tucek J, Filip J, Marusak Z, Sharma VK: Treatment of chemical warfare agents by zero-valent iron nanoparticles and ferrate(VI)/(III) composite. J. Hazard. Mater., 211-212, 126-130, 2012 (ScienceDirect,MZ8-1)
  67. Zeleny T, Ruckenbauer M, Aquino AJA, Muller T, Lankas F, Drsata T, Hase WL, Nachtigallova D, Lischka H: Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine. J. Am. Chem. Soc., 134(33), 13662-13669, 2012 (Am. Chem. Soc., MZ10-2)
  68. Zgarbova M, Luque JF, Sponer J, Otyepka M, Jurecka* P: A novel approach for deriving force field torsion angle parameters accounting for conformation-dependent solvation effects. J. Chem. Theory Comput., 8(9), 3232-3242, 2012 (Am. Chem. Soc.,MZ10-2)
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2011 (61)

  1. Bancirova M: Sodium azide as a specific quencher of singlet oxygen during chemiluminescent detection by luminol and Cypridina luciferin analogues. Luminescence, 26 (6), 685-688, 2011 (Wiley)
  2. Bancirova M, Lasovsky J: The photodynamic effect: the comparison of chemiexcitation by luminol and phthalhydrazide. Luminescence, 26 (6), 410-415, 2011 (Wiley)
  3. Berka K, Hendrychova T, Anzenbacher P, Otyepka* M: Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site. J. Phys. Chem. A, 115(41), 11248-11255, 2011 (Am. Chem. Soc.)
  4. Berka K, Otyepka M: Insenstivity to close contacts and inability to predict protein foldability. J. Biomol. Struct. Dynam., 28(4), 633-634, 2011 (JBSD)
  5. Bourlinos AB, Karakassides MA, Stathi P, Deligianniakis Y, Zboril R, Dallas P, Steriotis TA, Stubos AK, Trapalis C: Pyrolytic formation of a carbonaceous solid for heavy metal adsorption. J. Mater. Sci., 46(4), 975-982, 2011 (Springer)
  6. Bourlinos AB, Zboril R, Kubala M, Stathi P, Deligiannakis Y, Karakassides MA, Steriotis TA, Stubos AK: Fabrication of fluorescent nanodiamond@C core-shell hybrids via mild carbonization of sodium cholate-nanodiamond complexes. J. Mater. Sci. 46(24), 7912-7916, 2011 (Springer)
  7. Cerny* J, Pitonak M, Riley KE, Hobza P: Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes. J. Chem. Theory Comput., 7 (12), 3924-3934, 2011 (ACS)
  8. Cuda J, Kohout T, Tucek J, Haloda J, Filip J, Prucek R, Zboril R: Low-temperature magnetic transition in troilite: A simple marker for highly stoichiometric FeS systems. J. Geophys. Res., 116, B11205, 2011 (AGU)
  9. Dallas P, Sharma VK, Zboril R: Silver polymeric nanocomposites as advanced antimicrobial agents: Classification, synthetic paths, applications, and perspectives. Ad. Colloid Int. Sci. 166 (1-2), 119-135, 2011 (ScienceDirect)
  10. Dobes P, Fanfrlik J, Rezac J, Otyepka* M, Hobza* P: Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors. J. Comp.-Aided. Mol. Des., 25(3), 223-235, 2011 (Springer)
  11. Dobes P, Rezac J, Fanfrlik J, Otyepka* M, Hobza* P: The Semiempirical QM Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well while the Empirical Potential Fails. J. Phys. Chem. B, 115 (26), 8581-8589, 2011 (Am. Chem. Soc.)
  12. Filip J, Yngard RA, Siskova K, Marusak Z, Ettler V, Sajdl P, Sharma VK, Zboril R: Mechanisms and efficiency of the simultaneous removal of metals and cyanides by using ferrate(VI): Crucial roles of nanocrystalline iron(III) oxyhydroxides and metal carbonates. Chemistry-Eur. J., 17(36), 10097-10105, 2011 (Wiley)
  13. Golovko DA, Sharma VK, Pavlova OV, Belyanovskaya EA, Golovko ID, Suprunovich VI, Zboril R: Determination of submillimolar concentration of ferrate(VI) in alkaline solutions by amperometric titration. Central Eur. J. Chem., 9(5), 808-812, 2011 (Springer)
  14. Golovko DA, Sharma VK, Suprunovich VI, Pavlova OV, Golovko ID, Bouzek K, Zboril R: A simple potentiometric titration method to determine concentration of ferrate(VI) in strong alkaline solutions. Anal. Lett., 44(7), 1333-1340, 2011 (Taylor&Francis)
  15. Granatier J, Lazar P, Otyepka* M, Hobza* P: The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) to Plane-Wave DFT Calculations. J. Chem. Theor. Comput., 7(11), 3743-3755, 2011 (Am. Chem. Soc.)
  16. Hajdu D, Soukupova J, Zaboj Z, Mareckova J, Urbanek M: Potential drug interactions in older inpatients. Int. J. Clin. Pharm., 33(2), 359, 2011 (ScienceDirect)
  17. Hendrychova T, Anzenbacherova E, Hudecek J, Skopalik J, Lange R, Hildebrandt P, Otyepka* M, Anzenbacher* P: Flexibility of Human Cytochrome P450 Enzymes: Molecular Dynamics and Spectroscopy Reveal Important Function-Related Variations. Biochim. Biophys. Acta - Proteins and Proteomics, 1814 (1), 58-68, 2011 (ScienceDirect)
  18. Herchel R, Travnicek* Z, Zboril R: Tuning of the Critical Temperature in Iron(II) Spin-Crossover Materials Based on Bridging Polycyanidometallates: Pentacyanidonitrosylferrate(II) and Hexacyanidoplatinate(IV). Inorg. Chem., 50 (24), 12390-12392, 2011 (Am. Chem. Soc.)
  19. Herchel R, Travnicek* Z, Zboril R; Spin crossover behavior of a one-dimensional polymeric-chain compound {[Fe(abpt)2(mu-Ni(CN)4)]ˇxH2O}n (x = 0.5 -> 0): Synthesis, spectral, thermal and magnetic properties. Inorg. Chim. Acta, 365(1), 458-461, 2011 (ScienceDirect)
  20. Herchel* R, Tucek J, Travnicek Z, Petridis D, Zboril* R: Crystal water molecules as magnetic tuners in molecular metamagnets exhibiting antiferro-ferro-paramagnetic transitions. Inorg. Chem., 50(18), 9153-9163, 2011 (Am. Chem. Soc.)
  21. Kalbacova M, Broz A, Kromka A, Babchenko O, Kalbac* M; Controlled oxygen plasma treatment of single-walled carbon nanotube films improves osteoblastic cells attachment and enhances their proliferation. Carbon, 49(9), 2926, 2011 (ScienceDirect)
  22. Karlický* F, Lepetit* B, Kalus R, Gadéa FX; Vibrational spectrum of Ar3+ and relative importance of linear and perpendicular isomers in its photodissociation. J. Chem. Phys., 134 (8), 084305, 2011 (Am. Inst. Phys.)
  23. Karlický* F, Otyepka* M; The First Step in the Reaction of Zerovalent Iron with Water. J. Chem. Theory Comput., 7 (9), 2876-2885, 2011 (Am. Chem. Soc.)
  24. Klimkova S, Cernik M, Lacinova L, Filip J, Jancik D, Zboril* R; Zero-valent iron nanoparticles in treatment of acid mine water from in-situ uranium leaching; Chemosphere, 82(8), 1178-1184, 2011 (ScienceDirect)
  25. Kolar M, Fanfrlik J, Hobza* P: Ligand Conformational and Solvation/Desolvation Free Energy in Protein-Ligand Complex Formation. J. Phys. Chem. B, 115(16), 4718, 2011 (Am. Chem. Soc.)
  26. Kolar M, Kubar T, Hobza* P: On the Role of London Dispersion Forces in Biomolecular Structure Determination. J. Phys. Chem. B, 115(24), 8038-8046, 2011 (Am. Chem. Soc.)
  27. Kvitek L, Panacek A, Prucek R, Soukupova J, Vanickova M, Kolar M, Zboril R: Antibacterial activity and toxicity of silver - Nanosilver versus ionic silver. J. Phys. Conf. Ser. 304 (1), art. no. 012029, 2011 (IOP)
  28. Kvitek L, Hrbac* J: Comment on "From Nanoparticles to Nanoplates: Preferential Oriented Connection of Ag Colloids during Electrophoretic Deposition" J. Phys. Chem. C, 115(11), 4980-4981, 2011 (Am. Chem. Soc.)
  29. Machala L, Tucek J, Zboril R*; Polymorphous Transformations of Nanometric Iron(III) Oxide: A Review. Chem. Mater, 23 (14), 3255-3272, 2011 (Am. Chem. Soc.)
  30. Maity S, Patwari* GN, Sedlak R, Hobza* P; A pi-stacked phenylacetylene dimer. Phys. Chem. Chem. Phys., 13, 16706-16712, 2011 (RSC)
  31. Mlynsky V, Banas P, Walter NG, Sponer J, Otyepka M; QM/MM Studies of Hairpin Ribozyme Self-Cleavage Suggest the Feasibility of Multiple Competing Reaction Mechanisms. J. Phys. Chem. B, 115(47), 13911-13924, 2011 (Am. Chem. Soc.)
  32. Munusamy E, Sedlak R, Hobza* P; On the Nature of the Stabilization of Benzene-Dihalogen and Benzene-Dinitrogen Complexes: CCSD(T)/CBS and DFT-SAPT Calculations. Chem. Phys. Chem., 12 (17), 3253-3261, 2011 (Wiley)
  33. Oncak M, Berka K, Slavicek* P: Novel Covalent Bond in Proteins: Calculations on Model Systems Question the Bond Stability. Chem. Phys. Chem., 12 (17), 3449-3457, 2011 (Wiley)
  34. Panacek A, Prucek R, Safarova D, Dittrichs M, Richtrova J, Benickova K, Zboril R, Kvitek* L; Acute and Chronic Toxicity Effects of Silver Nanoparticles (NPs) on Drosophila melanogaster. Environ. Sci. Tech., 45 (11), 4974-4979, 2011 (Am. Chem. Soc.)
  35. Pitonak* M, Aquilante F, Hobza P, Neogrady P, Noga J, Urban M: Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals. Collect. Czech. Chem. Commun. 76(6), 713-742, 2011 (CCCC)
  36. Prenosil V, Pitonak M, Sedlak R, Kabelac M, Hobza* P; H-Bonding Cooperativity Effects in Amyloids: Quantum Mechanical and Molecular Mechanics Study. Z. Phys. Chem., 225(10), 553-574, 2011 (ZPC)
  37. Praus* P, Kozak O, Koci K, Panacek A, Dvorsky R: CdS nanoparticles deposited on montmorillonite: Preparation, characterization and application for photoreduction of carbon dioxide. J. Colloid Interface Sci. 360 (2), 574-579, 2011 (ScienceDirect)
  38. Prochazka V, Stepankova H, Chlan V, Tucek J, Cuda J, Kouril K, Filip J, Zboril R; Electric field gradient in FeTiO3 by nuclear magnetic resonance and ab initio calculations. J. Phys.: Condens. Matter, 23(20), 205503, 2011 (IOP)
  39. Prucek R, Panacek A, Fargasova A, Ranc V, Masek V, Kvitek L, Zboril* R; Re-crystallization of Silver Nanoparticles in Highly Concentrated NaCl Environment - a New Substrate for Surface Enhanced IR-visible Raman Spectroscopy. Cryst. Eng. Comm., 13, 2242-2248, 2011 (RSC)
  40. Prucek R, Panacek A, Soukupova J, Novotny R, Kvitek* L; Reproducible synthesis of silver colloidal particles tailored for application in near-infrared surface-enhanced Raman spectroscopy. J. Mater. Chem., 21, 6416-6420, 2011 (RSC)
  41. Prucek* R, Tucek J, Kilianova M, Panacek A, Kvitek L, Filip J, Kolar M, Tomankova K, Zboril* R; The targeted antibacterial and antifungal properties of magnetic nanocomposite of iron oxide and silver nanoparticles. Biomaterials, 32(21), 4704-4713, 2011 (ScienceDirect)
  42. Rezac* J, Hobza P: Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit. J. Chem. Theory Comput., 7 (3), 685-689, 2011 (ACS)
  43. Rezac* J, Hobza P: A halogen-bonding correction for the semiempirical PM6 method. Chem. Phys. Lett., 506 (4-6), 286-289, 2011 (ScienceDirect)
  44. Rezac* J, Riley KE, Hobza P: S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures. J. Chem. Theory Comput., 7 (8), 2427-2438, 2011 (ACS)
  45. Rezac* J, Riley KE, Hobza P: Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries. J. Chem. Theory Comput., 7 (11), 3466-3470, 2011 (ACS)
  46. Riley* KE, Hobza P: Noncovalent interactions in biochemistry. WIREs Comput. Mol. Sci., 1(1), 2011, 3-17 (Wiley)
  47. Riley* KE, Hobza P: Strength and Character of Halogen Bonds in Protein-Ligand Complexes. Cryst. Growth Des., 11(10), 2011, 4272-4278 (Am. Chem. Soc.)
  48. Riley* KE, Rezac J, Hobza P: MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis sets. Chem. Chem. Phys., 13, 21121-21125, 2011 (RSC)
  49. Schneeweiss O, Filip J, David B, Zboril R, Maslan M: Iron nanoparticles prepared from natural ferrihydrite precursors: kinetics and properties. J. Nanopart. Res., 13 (11), 5677-5684, 2011 (Springer)
  50. Siskova K, Kubala M, Dallas P, Jancik D, Thorel A, Ilik P, Zboril R: Effect of Surface Modification on Fluorescence and Morphology of CdSe Nanoparticles Embedded in Phosphazene-Based Matrix: Nanowire-like quantum dots J. Mater. Chem., 21, 1086-1093, 2011 (RSC)
  51. Siskova K, Safarova K, Seo JH, Zboril R, Mashlan M: Non-chemical approach toward 2D self-assemblies of Ag nanoparticles via cold plasma treatment of substrates. Nanotechnology, 22, 275601, 2011 (IOP)
  52. Sklenovsky P, Florova P, Banas P, Reblova K, Lankas F, Otyepka* M, Sponer* J: Understanding the RNA flexibility using explicit solvent simulations: The ribosomal and group I intron reverse kink-turn motifs. J. Chem. Theory Comput., 7 (9), 2963-2980, 2011 (Am. Chem. Soc.)
  53. Spiwok V, Hobza P, Rezac* J: Free-Energy Simulations of Hydrogen Bonding versus Stacking of Nucleobases on a Graphene Surface. J. Phys. Chem. C, 115(40), 19455-19462, 2011 (Am. Chem. Soc.)
  54. Svrckova P, Vitek A, Karlicky F, Paidarova I, Kalus* R: Theoretical modeling of ionization energies of argon clusters - nuclear delocalization effects. J. Chem. Phys., 134 (22), 224310, 2011 (Am. Inst. Phys.)
  55. Tucek J, Ohkoshi S, Zboril R: Room-temperature ground magnetic state of epsilon-Fe(2)O(3): In-field Mossbauer spectroscopy evidence for collinear ferrimagnet. Appl. Phys. Lett., 99(25), 253108, 2011 (Am. Inst. Phys.)
  56. Vacek* J, Vrublova E, Kubala M, Janovska M, Fojta M, Simkova E, Styskala J, Skopalova J, Hrbac J, Ulrichova J: Oxidation of Sanguinarine and Its Dihydro-Derivative at a Pyrolytic Graphite Electrode Using Ex Situ Voltammetry. Study of the Interactions of the Alkaloids with DNA. Electroanalysis, 23 (7), 1671-1680, 2011 (Wiley)
  57. Vacek J, Hrbac J, Kopecky J, Vostalova* J: Cytotoxicity and Pro-Apoptotic Activity of 2,2 '-Bis[4,5-bis(4-hydroxybenzyl)-2-(4-hydroxyphenyl)cyclopent-4-en-1,3-dione], a Phenolic Cyclopentenedione Isolated from the Cyanobacterium Strain Nostoc sp. str. Lukesova 27/97. Molecules, 16(5), 4254-4263, 2011 (MDPI)
  58. Zeleny T, Hobza P, Nachtigallova D, Ruckenbauer M, Lischka H: Photodynamics of the adenine model 4-aminopyrimidine embedded within double strand of DNA. Collect. Czech. Chem. Commun. 76(6), 631-643, 2011 (CCCC)
  59. Zgarbova M, Otyepka M, Sponer J, Mladek A, Banas P, Cheatham TE, Jurecka* P: Refinement of the Cornell et al. Nucleic Acids Force Field based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles. J. Chem. Theory Comput., 7 (9), 2886-2902, 2011 (Am. Chem. Soc.)
  60. Zgarbova M, Jurecka P, Banas P, Otyepka M, Sponer JE, Leontis NB, Zirbel CL, Sponer* J: Noncanonical hydrogen bonding in nucleic acids. Benchmark evaluation of key base - phosphate interactions in folded RNA molecules using quantum-chemical calculations and molecular dynamics simulations. J. Phys. Chem. A, 115(41), 11277-11292, 2011 (Am. Chem. Soc.)
  61. Zierkiewicz* W, Wieczorek R, Hobza P, Michalska D: Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study. Phys. Chem. Chem. Phys., 13(11), 5105-5113, 2011 (RSC)
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2010 (51)

  1. Bakandritsos A, Mattheolabakis G, Zboril R, Bouropoulos N, Tucek J, Fatouros D, Avgoustakis K: Preparation, stability and cytocompatibility of magnetic/PLA-PEG hybrids. Nanoscale 2(4): 564-572, 2010 (RSC)
  2. Bakandritsos A, Zboril* R, Bouropoulos N, Kallinteri P, Favretto ME, Parker TL , Mullertz A, Fatourosg* DG: The preparation of magnetically guided lipid based nanoemulsions using self-emulsifying technology, Nanotechnology, 21, 055104, 2010 (IOP)
  3. Banas P, Hollas D, Zgarbova M, Jurecka P, Orozco M, Cheatham T, Sponer* J, Otyepka* M: Performance of Molecular Mechanics Force Fields for RNA Simulations. Stability of UUCG and GNRA hairpins. J. Chem. Theor. Comput, 6 (12), 3836-3849, 2010 (Am. Chem. Soc.)
  4. Banas P, Walter NG, Sponer* J, Otyepka* M: Protonation States of the Key Active Site Residues and Structural Dynamics of glmS Riboswitch as Revealed by Molecular Dynamics (with Cover Art) J. Phys. Chem. B, 114 (26), 8701-8712, 2010 (Am. Chem. Soc.)
  5. Bancirova M: Comparison of the antioxidant capacity and the antimicrobial activity of black and green tea. Food Res. Int. 43(5), 1379-1382, 2010 (ScienceDirect)
  6. Berka K, Laskowski RA, Hobza P, Vondrasek J: Energy Matrix of Structurally Important Side-Chain/Side-Chain Interactions in Proteins. J. Chem. Theory Comput., 6(7), 2191-2203, 2010 (Am. Chem. Soc.)
  7. Cerny J, Hobza P: Energy barriers between H-bonded and stacked structures of 9-methyladenine ... 1-methylthymine and 9-methylguanine ... 1-methylcytosine complexes Chem. Commun. 46(3), 383-385, 2010
  8. Crews BO, Abo-Riziq A, Pluhackova K, Thompson P, Hill G, Hobza P, de Vries MS: Guanine-aspartic acid interactions probed with IR-UV resonance spectroscopy Phys. Chem. Chem. Phys. 12(14), 3597-3605, 2010
  9. Child ES, Hendrychova T, McCague K, Futreal PA, Otyepka M, Mann* D: A cancer-derived mutation in the PSTAIRE helix of cyclin-dependent kinase 2 alters the stability of cyclin binding. Biochim. Biophys. Acta - Mol. Cell Res., 1803 (7), 858-864, 2010 (ScienceDirect)
  10. Dallas* P, Zboril* R, Bourlinos AB, Jancik D, Niarchos D, Panacek A, Petridis D: Cornet-like phosphotriazine/diamine polymer as reductant and matrix for the synthesis of silver nanocomposites with antimicrobial activity, Macromol. Mater. Eng., 295(2), 108-114, 2010 (Wiley Interscience)
  11. Dallas* P, Tucek J, Jancik D, Kolar M, Panacek A, Zboril R: Magnetically Controllable Silver Nanocomposite with Multifunctional Phosphotriazine Matrix and High Antimicrobial Activity. Adv. Funct. Mater., 20(14), 2347-2354, 2010 (Wiley Interscience)
  12. Ditzler M, Otyepka M, Sponer* J, Walter* N; Molecular Dynamics and Quantum Mechanics of RNA: Conformational and Chemical Change We Can Believe In. Acc. Chem. Res., 43(1), 40-47, 2010 (Am. Chem. Soc.)
  13. Dvorakova-Hola K., Matuskova A., Kubala M., Otyepka M., Kucera T., Vecer J., Herman P., Parkhomenko N., Kutejova E., Janata J. Glycine-rich loop of mitochondrial processing peptidase alpha-subunit is responsible for substrate recognition by a mechanism analogous to mitochondrial receptor Tom20. J. Mol. Biol., 396 (5), 1197-1210, 2010 (ScienceDirect)
  14. Fanfrlik J, Bronowska AK, Rezac J, Prenosil O, Konvalinka J, Hobza P. A Reliable Docking/Scoring Scheme Based on the Semiempirical Quantum Mechanical PM6-DH2 Method Accurately Covering Dispersion and H-Bonding: HIV-1 Protease with 22 Ligands.J. Phys. Chem. B, 114(39), 12666-12678, 2010
  15. Florova P, Sklenovsky P, Banas P, Otyepka* M; Explicit water models affect the specific solvation and dynamics of unfolded peptides while the conformational behavior and flexibility of folded peptides remain intact. J. Chem. Theor. Comp., 6(11), 3569-3579, 2010 (Am. Chem. Soc.)
  16. Georgakilas V, Bourlinos AB, Zboril R, Steriotis TA, Dallas P, Stubos AK, Trapalis Ch. Organic functionalization of graphenes. Chem. Commun., 46(10), 1766-1768, 2010 (RSC)
  17. Grafova L, Pitonak M, Rezac J, Hobza P. Comparative Study of Selected Wave Function and Density Functional Methods for Noncovalent Interaction Energy Calculations Using the Extended S22 Data Set. J. Chem. Theor. Comput., 6(8), 2365-2376, 2010
  18. Gregor C, Hermanek M, Jancik D, Pechousek J, Filip J, Hrbac J, Zboril* R: The Effect of Surface Area and Crystal Structure on the Catalytic Efficiency of Iron(III) Oxide Nanoparticles in Hydrogen Peroxide Decomposition Eur. J. Inorg. Chem., 2010(16), 2343-2351, 2010 (Wiley)
  19. Halouzka V, Jakubec P, Gregor C, Jancik D, Papadopoulos K, Triantis T, Hrbac* J; Silver-Nafion coated cylindrical carbon fiber microelectrode for amperometric monitoring of hydrogen peroxide heterogeneous catalytic decomposition. Chem. Eng. J., 165(3), 813-818, 2010 (ScienceDirect)
  20. Hermankova P, Hermanek M, Zboril R: Thermal Decomposition of Ferric Oxalate Tetrahydrate in Oxidative and Inert Atmospheres: The Role of Ferrous Oxalate as an Intermediate. Eur. J. Inorg. Chem., 7, 1110-1118, 2010 (Wiley Interscience)
  21. Honzicek J, Vinklarek J, Kratochvil P, Hrbac J: Vanadocene Arsenate Complexes: Evidence of Super-Hyperfine Coupling with 75As.Magn. Reson. Chem. 48(7), 562-564, 2010 (Wiley Interscience)
  22. Jakubec P, Halouzka V, Skopalova J, Hrbac* J; Electrode modified with cobalt cyclohexylbutyrate for the determination of low molecular weight thiol group bearing compounds using catalytic stripping voltammetry. Electroanalysis, 22(3), 345-350, 2010 (Wiley InterScience)
  23. Kalbacova M, Broz A, Kong J, Kalbac* M; Graphene substrates promote adherence of human osteoblasts and mesenchymal stromal cells. Carbon, 48(15), 4323-4329, 2010 (ScienceDirect)
  24. Kohout T, Kosterov A, Haloda J, Tycova P, Zboril R: Low-temperature magnetic properties of iron-bearing sulfides and their contribution to magnetism of cometary bodies. Icarus, 208(2), 955-962, 2010 (ScienceDirect)
  25. Kolar M, Berka K, Jurecka P, Hobza* P; On the Reliability of the AMBER Force Field and its Empirical Dispersion Contribution for the Description of Noncovalent Complexes. ChemPhysChem, 11(11), 2399-2408, 2010 (WileyInterscience)
  26. Korth M, Pitonak M, Rezac J, Hobza P: A Transferable H-Bonding Correction for Semiempirical Quantum-Chemical Methods. J. Chem. Theor. Comput. 6(1): 344-352, 2010
  27. Markova I, Kluchova K, Zboril R, Mashlan M, Herman M; Small Bowel Imaging - Still a Radiological Approach? Biomed. Papers - Olomouc, 154(2), 123-132, 2010
  28. Mladek A, Sponer JE, Jurecka P, Banas P, Otyepka M, Svozil D, Sponer J; Conformational Energies of DNA sugar-phosphate backbone: Reference QM calculations and a comparison with Density Functional Theory and Molecular Mechanics. J. Chem. Theory Comput., 6 (12), 3817-3835, 2010 (Am. Chem. Soc.)
  29. Mlynsky V, Banas P, Hollas D, Reblova K, Walter NG, Sponer* J, Otyepka* M: Extensive Molecular Dynamics Simulations Showing That Canonical G8 and Protonated A38H+ Forms Are Most Consistent with Crystal Structures of Hairpin Ribozyme. J. Phys. Chem. B, 114(19), 6642-6652, 2010 (Am. Chem. Soc.)
  30. Morgado CA, Jurecka P, Svozil D, Hobza P, Sponer* J: Reference MP2/CBS and CCSD(T) quantum-chemical calculations on stacked adenine dimers. Comparison with DFT-D, MP2.5, SCS(MI)-MP2, M06-2X, CBS(SCS-D) and force field descriptions. Phys. Chem. Chem. Phys. 12(14):3522-3534, 2010
  31. Nachtigallova D, Zeleny T, Ruckenbauer M, Muller H, Barbatti M, Hobza P, Lischka H. Does Stacking Restrain the Photodynamics of Individual Nucleobases? J. Am. Chem. Soc., 132(24), 8261-8263, 2010 (Am. Chem. Soc.)
  32. Oleksy K., Karlický F., Kalus R.*; Structures and energetics of helium cluster cations. Equilibrium geometries revisited through the genetic-algorithm approach. J. Chem. Phys. 133, 164314, 2010 (Am. Inst. Phys.)
  33. Palikova I, Vostalova J*, Zdarilova A, Svobodova A, Kosina P, Vecera R, Stajskal D, Proskova J, Hrbac J, Bednar P, Maier V, Cernochova D, Simanek V, Ulrichova J; Long-Term Effects of Three Commercial Cranberry Products on the Antioxidative Status in Rats: A Pilot Study. J. Agric. Food. Chem., 58 (3), 1672-1678, 2010 (Am. Chem. Soc.)
  34. Pinkas J, Reichlova V, Serafimidisova A, Moravec Z, Zboril R, Jancik D, Bezdicka P; Sonochemical Synthesis of Amorphous Yttrium Iron Oxides Embedded in Acetate Matrix and their Controlled Thermal Crystallization toward Garnet (Y3Fe5O12) and Perovskite (YFeO3) Nanostructures. J. Phys. Chem. C, 114(32), 13557-13564, 2010 (Am. Chem. Soc.)
  35. Pitonak M, Rezac J, Hobza P: Spin-component scaled coupled-clusters singles and doubles optimized towards calculation of noncovalent interactions. Phys. Chem. Chem. Phys., 12(33), 9611-9614, 2010
  36. Pitonak M, Neogrady P, Hobza P: Three- and four-body nonadditivities in nucleic acid tetramers: a CCSD(T) study. Phys. Chem. Chem. Phys., 12(6): 1369-1378, 2010
  37. Riley KE, Pitonak M, Cerny J, Hobza P: On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H center dot center dot center dot pi): WFT and DFT Calculations. J. Chem. Theor. Comput. 6(1), 66-80, 2010
  38. Riley KE, Pitonak M, Jurecka P, Hobza P: Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories. Chem. Rev., 110(9), 5023-5063, 2010 (Am. Chem. Soc.)
  39. Sivula K, Zboril R, Le Formal F, Robert R, Weidenkaff A, Tucek J, Frydrych J, Gratzel M; Photoelectrochemical Water Splitting with Mesoporous Hematite Prepared by a Solution-Based Colloidal Approach, J. Am. Chem. Soc., 132(21), 7436-7444, 2010 (Am. Chem. Soc.)
  40. Sklenovsky P, Otyepka M*; In Silico Structural and Functional Analysis of Fragments of the Ankyrin Repeat Protein p18INK4c, J. Biomol. Struct. Dynam., 27(4), 521-540, 2010 (JBSD)
  41. Smolakova L, Grygar T, Capek L, Schneeweiss O, Zboril R; Speciation of Fe in Fe-modified zeolite catalysts. J. Electroanal. Chem., 647(1), 8-19, 2010 (ScienceDirect)
  42. Soukupova J, Kvitek* L, Kratochvilova M, Panacek A, Prucek R, Zboril R. Silver Voyage from Macro- to Nanoworld. J. Chem. Educ., 87(10), 1094-1097, 2010 (Am. Chem. Soc.)
  43. Sponer JE*, Vázquez-Mayagoitia A, Sumpter BG, Leszczynski J, Sponer J*, Otyepka M, Banas P, Fuentes-Cabrera M*; Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues. Chemistry Eur. J. 16(10), 3057-3065, 2010 (Wiley InterScience)
  44. Svozil D, Hobza P, Sponer J: Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations? J. Phys. Chem. B, 114(2):1191-1203, 2010
  45. Travnicek* Z, Herchel R, Mikulik M, Zboril R; Copper(II) cyanido-bridged bimetallic nitroprusside-based complexes: Syntheses, X-ray structures, magnetic properties, 57Fe Mössbauer spectroscopy and thermal studies. J. Solid. State. Chem., 183(5), 1046-1054, 2010 (ScienceDirect)
  46. Travnicek Z, Popa I, Cajan M, Zboril R, Krystof V, Mikulik J; The first iron(III) complexes with cyclin-dependent kinase inhibitors: magnetic, spectroscopic (IR, ES+ MS, NMR, 57Fe Mössbauer), theoretical, and biological activity studies, J. Inorg. Biochem., 104 (4), 405-417, 2010 (ScienceDirect)
  47. Tucek J, Zboril* R, Namai A, Ohkoshi S; Epsilon-Fe2O3: An Advanced Nanomaterial Exhibiting Giant Coercive Field, Millimeter-Wave Ferromagnetic Resonance, and Magnetoelectric Coupling. (with Cover Art) Chem. Mater., 22(24), 6483-6505, 2010 (Am. Chem. Soc.)
  48. Tzitzios* V, Basina G, Bakandritsos A, Hadjipanayis CG, Mao H, Niarchos D, Hadjipanayis GC, Tucek J, Zboril* R; Immobilization of magnetic iron oxide nanoparticles on laponite discs - an easy way to biocompatible ferrofluids and ferrogels. J. Mat. Chem., 20(26), 5418-5428, 2010 (RSC Publishing)
  49. Zbořil R, Karlický F, Bourlinos* AB, Steriotis TA, Stubos AK, Georgakilas V, Safarova K, Jancik D, Trapalis C, Otyepka* M: Graphene fluoride: a stable stoichiometric graphene derivative and its chemical conversion to graphene. Small, 6 (24), 2885-2891, 2010 (Wiley Interscience)
  50. Zierkiewicz W, Michalska D, Hobza P: Adenine ribbon stabilized by Watson-Crick and Hoogsteen hydrogen Bonds: WFT and DFT study. Phys. Chem. Chem. Phys. 12(12):2888-2894, 2010
  51. Zgarbova M, Otyepka M, Sponer J, Hobza P, Jurecka* P: Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations. Phys. Chem. Chem. Phys., 12, 10476-10493, 2010 (RSC Publishing)
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2009 (39)

  1. Banas P, Jurecka P, Walter NG, Sponer J, Otyepka* M; Theoretical studies of RNA catalysis: Hybrid QM/MM methods and their comparison with MD and QM. (Invited Review) Methods, 49(2), 202-216, 2009 (ScienceDirect)
  2. Belessi V, Lambropoulou D, Konstantinou I, Zboril R, Tucek J, Jancik D, Albanis T, Petridis* D; Structure and photocatalytic performance of magnetically separable titania photocatalysts for the degradation of propachlor. Appl. Catal. B - Env. 87(3-4), 181-189, 2009 (ScienceDirect)
  3. Besseova I, Otyepka M, Reblova K, Sponer* J; Dependence of A-RNA simulations on the choice of the force field and salt strength. Phys. Chem. Chem. Phys., 11, 10701-10711, 2009 (RSC Publishing)
  4. Berka K, Hobza P, Vondrasek* J; Analysis of Energy Stabilization inside the Hydrophobic Core of Rubredoxin. ChemPhysChem, 10(3), 543-548, 2009 (Wiley InterScience)
  5. Bourlinos AB, Georgakilas V, Zboril R, Bakandritsos A, Stassinopoulos A, Anglos D, Giannelis* EP; Pyrolytic formation and photoluminescence properties of a new layered carbonaceous material with graphite oxide-mimicking characteristics. Carbon, 47(2), 519-526, 2009 (ScienceDirect)
  6. Bourlinos* AB, Georgakilas* V, Zboril R, Steriotis TA, Stubos AK; Liquid-phase exfoliation of graphite towards solubilized graphenes. Small, 5(16), 1841-1845, 2009 (Wiley InterScience)
  7. Bourlinos AB, Georgakilas V, Zboril R, Steriotis TA, Stubos AK, Trapalis Ch; Aqueous-phase exfoliation of graphite in the presence of polyvinylpyrrolidone for the production of water-soluble graphenes. Solid State Commun., 149 (47-48), 2172-2176, 2009 (ScienceDirect)
  8. Bourlinos* AB, Steriotis TA, Zboril R, Georgakilas V, Stubos A; Direct synthesis of carbon nanosheets by the solid-state pyrolysis of betaine. J. Mater. Sci, 44(5), 1407-1411, 2009 (Springer)
  9. Cerny J, Vondrasek J, Hobza* P; Loss of Dispersion Energy Changes the Stability and Folding/Unfolding Equilibrium of the Trp-Cage Protein. J. Phys. Chem. B, 113(16), 5657-5660, 2009 (Am. Chem. Soc.)
  10. Cesar AK, Sivula* K, Kay A, Zboril R, Grätzel M; The Influence of Feature Size, Film Thickness, and Silicon Doping on the Performance of Nanostructured Hematite Photoanodes for Solar Water Splitting. J. Phys. Chem. C, 113(2), 772-782, 2009 (Am. Chem. Soc.)
  11. Grycova L, Sklenovsky P, Lansky Z, Janovska M, Otyepka M, Amler E, Teisinger J, Kubala* M; ATP and Magnesium Drive Conformational Changes of the Na+/K+-ATPase Cytoplasmic Headpiece. BBA - Biomembranes, 1788(5), 1081-91, 2009 (ScienceDirect)
  12. Hrbac* J, Tur'yan YI; Parallel Electrooxidation of Carbon Material in Membrane-Electrode Assembly of Fuel Cells and Hydrogen Generator without Liquid Electrolyte. Pol. J. Chem., 83(11), 2035-2039, 2009
  13. Herchel R, Sindelar Z, Travnicek Z, Zboril R, Vanco J; Novel 1D chain Fe(III)-salen-like complexes involving anionic heterocyclic N-donor ligands. Synthesis, X-ray structure, magnetic, 57Fe Mössbauer, and biological activity studies. Dalton Trans., 9870-9880, 2009 (RSC Publishing)
  14. Kabelac M, Hobza P, Spirko* V; The structure and vibrational dynamics of the pyrrole dimmer. Phys. Chem. Chem. Phys. 11(20), 3885-3891, 2009
  15. Kabelac M, Hobza P, Spirko* V; The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies. Phys. Chem. Chem. Phys. 11(20), 3921-3926, 2009 (RCS Publishing)
  16. Kluchova K, Zboril* R, Tucek J, Pecova M, Zajoncova L, Safarik I, Mashlan M, Markova I, Jancik D, Sebela M, Bartonkova H, Bellesi V, Novak P, Petridis D; Superparamagnetic maghemite nanoparticles from solid-state synthesis - Their functionalization towards peroral MRI contrast agent and magnetic carrier for trypsin immobilization. Biomaterials 30(15), 2855-2863, 2009 (ScienceDirect)
  17. Kubala* M, Grycova L, Lansky Z, Sklenovsky P, Janovska M, Otyepka M, Teisinger J; Changes in the Electrostatic Surface Potential of the Na+/K+-ATPase Cytoplasmic Headpiece Induced by the Cytoplasmic Ligand(s) Binding. Biophys. J. 97(6):, 1756-64, 2009 (ScienceDirect)
  18. Kvitek L, Vanickova M, Panacek A, Soukupova* J, Dittrich M, Valentova E, Prucek R, Bancirova M, Milde D, Zboril R; Initiatory Study on Toxicity of Silver Nanoparticles (NPs) against Paramecium caudatum. J. Phys. Chem. C, 113(11), 4296-4300, 2009 (Am. Chem. Soc.)
  19. Kvitek L, Soukupova* J; Comment on "Preparation and Antibacterial Activity of Fe3O4@Ag Nanoparticles". Nanotechnology 20 (2), 028001, 2009
  20. Maity S, Sedlak R, Hobza P, Patwari GN. Infrared-optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C-H center dot center dot center dot pi interactions. Phys. Chem. Chem. Phys., 11(42), 9738-9743, 2009. (RSC Publishing)
  21. Machala L, Zboril* R, Sharma VK, Filip J, Jancik D and Homonnay Z. Transformation of Solid Potassium Ferrate(VI) (K2FeO4): Mechanism and Kinetic Effect of Air Humidity. Eur. J. Inorg. Chem., 8, 1060-1067, 2009. (Wiley Interscience)
  22. Morgado CA, Jurecka P, Svozil D, Hobza P, Sponer J; Balance of Attraction and Repulsion in Nucleic-Acid Base Stacking: CCSD(T)/Complete-Basis-Set-Limit Calculations on Uracil Dimer and a Comparison with the Force-Field Description. J. Chem. Theor. Comput., 5(6), 1524-1544, 2009 (Wiley Interscience)
  23. Panacek A, Kolar M, Vecerova R, Prucek R, Soukupova J, Krystof V, Hamal P, Zboril R, Kvitek L*; Antifungal activity of silver nanoparticles against Candida spp. Biomaterials 30 (31), 6333-6340, 2009 (ScienceDirect)
  24. Pavlova M, Klvana M, Prokop Z, Chaloupkova R, Banas P, Otyepka M, Wade RC, Tsuda M, Nagata Y, Damborsky* J; Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature Chem. Biol., 5(10), 727-33, 2009 (Nature Publishing Group)
  25. Pitonak M, Janowski T, Neogrady P, Pulay P, Hobza* P; Convergence of the CCSD(T) Correction Term for the Stacked Complex Methyl Adenine-Methyl Thymine: Comparison with Lower-Cost Alternatives. J. Chem. Theory Comput., 5(7), 1761-1766, 2009 (Am. Chem. Soc.)
  26. Pekarova M, Kralova J, Kubala L, Ciz M, Lojek A, Gregor C, Hrbac* J; Continuous electrochemical monitoring of nitric oxide production in murine macrophage cell line RAW 264.7. Analytical and Bioanalytical Chemistry, 394(5), 1497-1504, 2009 (Springer)
  27. Prucek R, Hermanek M, Zboril R*; An effect of iron(III) oxides crystallinity on their catalytic efficiency and applicability in phenol degradation—A competition between homogeneous and heterogeneous catalysis. Appl. Catal. A: General, 366(2), 325-332, 2009 (ScienceDirect)
  28. Prucek R, Kvitek L, Panacek A, Vancurová L, Soukupova J, Jancik D, Zboril* R; Polyacrylate-assisted synthesis of stable copper nanoparticles and copper(I) oxide nanocubes with high catalytic efficiency. J. Mater. Chem., 19, 8463-8469, 2009 (ScienceDirect)
  29. Ran J, Hobza P*; On the Nature of Bonding in Lone Pair center dot center dot center dot pi-Electron Complexes: CCSD(T)/Complete Basis Set Limit Calculations. J. Chem. Theor. Comp. 5(4), 1180-1185, 2009 (Am. Chem. Soc.)
  30. Ran J, Hobza P*; Nature of Bonding in Nine Planar Hydrogen-Bonded Adenine center dot center dot center dot Thymine Base Pairs. J. Phys. Chem. B 113(9), 2933-2936, 2009 (Amer. Chem. Soc.)
  31. Rezac J, Fanfrlik J, Salahub* D, Hobza P; Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes. J. Chem. Theory Comput., 5(7), 1749-1760, 2009 (Amer. Chem. Soc.)
  32. Riley KE, Murray JS, Politzer P, Concha MC, Hobza P; Br...O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone. J. Chem. Theory Comput. 5(1), 155-163, 2009 (Amer. Chem. Soc.)
  33. Schneeweiss O, Zboril R, David B, Hermanek M, Mashlan M; Solid-state synthesis of alpha-Fe and iron carbide nanoparticles by thermal treatment of amorphous Fe2O3, Hyperfine Inter. 189, 167-173, 2009 (Springer)
  34. Sedlak R, Hobza P, Patwari GN; Hydrogen-Bonded Complexes of Phenylacetylene with Water, Methanol, Ammonia, and Methylamine. The Origin of Methyl Group-Induced Hydrogen Bond Switching, J. Phys. Chem. A, 113(24), 6620-6625, 2009 (Amer. Chem. Soc.)
  35. Strnadova* H, Kvitek L; The Influence of Buffer on Self-Assembling Properties of Micelles. Chem. Listy 103(4), 315-319, 2009 (Chem. Listy)
  36. Sponer J*, Zgarbova M, Jurecka P*, Riley KE, Sponer JE, Hobza P; Reference Quantum Chemical Calculations on RNA Base Pairs Directly Involving the 2'-OH Group of Ribose. J. Chem. Theory Comput, 5(4), 1166-1179, 2009 (Amer. Chem. Soc.)
  37. Tomaskova Z, Cacanyiova S, Benco A, Kristek F, Dugovicova L, Hrbac J, Ondrias K*; Lipids modulate H2S/HS- induced NO release from S-itrosoglutathione. Biochem. Biophys. Res. Commun., 390(4), 1241-1244, 2009 (ScienceDirect)
  38. Valdes H, Pluhackova K, Hobza P; Phenylalanyl-Glycyl-Phenylalanine Tripeptide: A Model System for Aromatic-Aromatic Side Chain Interactions in Proteins, J. Chem. Theory Comput. 5(9), 2248-2256, 2009 (Amer. Chem. Soc.)
  39. Zeleny T, Hobza P, Kabelac M*; Microhydration of Guanine...Cytosine Base Pairs, A Theoretical Study on The Role of Water in Stability, Structure and Tautomeric Equilibrium. Phys. Chem. Chem. Phys., 11(18), 3430-3435, 2009
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2008 (31)

  1. Anzenbacher P, Anzenbacherová E, Lange R, Skopalík J, Otyepka M. Active sites of Cytochromes P450: What are they like? Acta Chimica Slovenica, 55(1), 63-66, 2008 (Acta Chimica Slov.)
  2. Bakandritsos A, Bouropoulos N, Zboril R, Iliopoulos K, Boukos N, Chatzikyriakos G, Couris S; Optically Active Spherical Polyelectrolyte Brushes with a Nanocrystalline Magnetic Core. Adv. Funct. Mater. 18, 1694-1706, 2008
  3. Banas P, Rulisek L, Hanosova V, Svozil D, Walter N, Sponer J, Otyepka M; General Base Catalysis for Cleavage by the Active-Site Cytosine of the Hepatitis Delta Virus Ribozyme: QM/MM Calculations Establish Chemical Feasibility J Phys Chem B, 112(35), 11177-11187, 2008 (Am. Chem. Soc.)
  4. Bartova I, Koca J, Otyepka M; Functional Flexibility of Human Cyclin-Dependent Kinase-2 and Its Evolutionarily Conservation. Protein Sci. 17(1), 22-33, 2008 (Protein Society)
  5. Bartova I, Koca J, Otyepka M; Regulatory Phosphorylations of Cyclin-Dependent Kinase 2: An Insight from the Molecular Dynamics Simulations. J. Mol. Model. 14(8), 761-768, 2008 (Springer)
  6. Belessi V, Zboril R, Tucek J, Mashlan M, Tzitzios V, Petridis D; Ferrofluids from magnetite-chitosan hybrids. Chem. Mater. 20(10), 3298-3305, 2008 (Am. Chem. Soc.)
  7. Belessi V, Lambropoulou D, Konstantinou I, Zboril R, Tucek J, Jancik D, Albanis T, Petridis D; Structure, photocatalytic performance of magnetically separable titania photocatalysts for the degradation of propachlor. Appl. Catal. B: Environ., in press, 2008 (ScienceDirect)
  8. Bourlinos AB, Georgakilas V, Zboril R, Jancik D, Karakassides MA, Stassinopoulos A, Anglos D; Giannelis EP Reaction of graphite fluoride with NaOH-KOH eutectic. Journal of Fluorine Chemistry, Volume 129, Issue 8, August 2008, Pages 720-724
  9. Bourlinos AB, Stassinopoulos A, Anglos D, Zboril R, Karakassides M, Giannelis EP; Surface Functionalized Carbogenic Quantum Dots. Small 4(4), 455-458, 2008 (Wiley InterScience)
  10. Bourlinos AB, Stassinopoulos A, Anglos D, Zboril R, Georgakilas V, Giannelis EP; Photoluminescent carbogenic dots. Chem. Mater. 20(14), 4539-4541, 2008
  11. Bourlinos AB, Georgakilas V, Zboril R; Easy deposition of amorphous carbon films on glass substrates. Carbon 46, 1801-1804, 2008
  12. Cerny J, Kabelac M, Hobza P; Double-Helical -> Ladder Structural Transition in the B-DNA is Induced by a Loss of Dispersion Energy. J. Am. Chem. Soc. 130(47), 16055-16059, 2008 (Am. Chem. Soc.)
  13. Georgakilas V, Bourlinos AB, Zboril R, Trapalis C; Synthesis, Characterization and Aspects of Superhydrophobic Functionalized Carbon Nanotubes. Chem. Mater. 20(9), 2884-2886, 2008 (Am. Chem. Soc.)
  14. Hermanek M, Zboril R; Polymorphous exhibitions of iron(III) oxide during isothermal oxidative decompositions of iron salts – a key role of the powder layer thickness. Chem. Mater. 20, 5284-5295, 2008.
  15. Kvitek L, Panacek A, Soukupova J, Kolar M, Vecerova R, Prucek R, Holecova M, Zboril R; Effect of surfactants and polymers on stability and antibacterial activity of silver nanoparticles (NPs). J. Phys. Chem. C 112(15), 5825-5834, 2008 (Am. Chem. Soc.)
  16. Mockovicova A, Matik M, Orolinova Z, Hudec P, Kmecova V; Structural characteristics of modified natural zeolite. J. Porous. Mater. 15, 559-564, 2008
  17. Otyepka M, Banas P, Magistrato A, Carloni P, Damborsky J; Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods. Proteins: Struct. Funct. Bioinf. 70(3), 707-717, 2008 (Wiley InterScience)
  18. Pavuk M, Miglierini M, Vujtek M, Zboril R, Mashlan M, Svec P; Surface morphology of Fe79Mo8Cu1B12 ribbons characterised by atomic force microscopy. Rev. Adv. Mater. Sci. 18(2), 164-168, 2008
  19. Pinkas J, Reichlova V, Zboril R, Moravec Z, Bezdicka P, Matejkova J; Sonochemical synthesis of amorphous nanoscopic iron(III) oxide from Fe(acac)3 Ultrasonics Sonochemistry 15(3), 257-264, 2008 (ScienceDirect)
  20. Pitonak M, Neogrady P, Rezac J, Jurecka P, Urban M, Hobza P.; Benzene Dimer: High-Level Wave Function and Density Functional Theory Calculations J. Chem. Theory and Comput., 4(11), 1829-1834, 2008 (Am. Chem. Soc.)
  21. Pluhackova K, Grimme S, Hobza P; On the Importance of Electron Correlation for the Intramolecular Stacking Geometry of Bis-Thiophene Derivative. J. Phys. Chem. A 118(48), 12469–12474, 2008
  22. Rezac J, Jurecka P, Cerny P, Valdes H, Pluhackova K, Riley KE, Berka K, Rezac T, Pitonak M, Hobza P; Quantum Chemical Benchmark Energy and Geometry DataBase for Molecular Clusters and Complex Molecular Systems(www.begdb.com): A Users manual and Exmaples. Coll. Czech. Chem. Commun, 73(10), 1261-1270, 2008
  23. Sklenovsky P, Banas P, Otyepka M; Two C-terminal Ankyrin Repeats Form the Minimal Stable Unit of the Ankyrin Repeat Protein p18INK4c. J. Mol. Model. 14(8), 747-59, 2008 (Springer)
  24. Skopalik J, Anzenbacher P, Otyepka M; Flexibility of Human Cytochromes P450: Molecular Dynamics Reveals Differences between CYPs 3A4, 2C9 and 2A6 which Correlate with Their Substrate Preferences. J Phys Chem B, 112(27), 8165-8173, 2008 (Am.Chem.Soc.)
  25. Soukupova J, Kvitek L, Panacek A, Nevecna T, Zboril R; Comprehensive study on surfactant role on silver nanoparticles (NPs) prepared via modified Tollens process. Mater. Chem. Phys., 111(1), 77-81, 2008 (ScienceDirect)
  26. Travnicek Z, Mikulik J, Cajan M, Zboril R, Popa I; Novel iron complexes bearing N6-substituted adenosine derivatives: Synthesis, magnetic, 57Fe Mössbauer, DFT, and in vitro cytotoxicity studies. Bioorganic & Medicinal Chemistry. 16, 8719-872, 2008
  27. Triantis TM, Papadopoulos K, Yannakopoulou E, Dimotikali D, Hrbáč J, Zbořil R; Sensitized chemiluminescence of luminol catalyzed by colloidal dispertions of nanometer-sized ferric oxides. Chemical Engineering Journal, 144 (3):483-488 (2008).
  28. Trouillas P, Marsal P, Svobodova A, Vostalova J, Gazak R, Hrbac J, Sedmera P, Kren V, Lazzaroni R, Duroux JL, Walterova D; Mechanism of The Antioxidant Action of Silybin and 2,3-Dehydrosilybin Flavonolignans: A Joint Experimental and Theoretical Study. J Phys Chem A, 112 (5), 1054-1063, 2008 (Am.Chem.Soc.)
  29. Yngard RA, Sharma VK, Filip J, Zboril R; Ferrate(VI) Oxidation of Weak-Acid Dissociable Cyanides. Environ. Sci. Technol. 42(8), 3005-3010, 2008 (Am. Chem. Soc.)
  30. Zboril R, Bakandritsos A, Mashlan M, Tzitzios V, Dallas P, Trapalis Ch, Petridis D; One Step Solid State Synthesis of Capped gamma-Fe2O3 Nanocrystallites Nanotechnology, 19(9), 095602, 2008
  31. Zdarilova A, Vrublova E, Vostalova J, Klejdus B, Stejskal D, Proskova J, Kosina P, Svobodova A, Vecera R, Hrbac J, Cernochova , Vicar J, Ulrichova J, Simanek V; Natural feed additive of Macleaya cordata: Safety assessment in rats a 90-day feeding experiment. Food Chem Toxicol, 46(12), 3721-3726, 2008
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2007 (26)

  1. Bartonkova H, Mashlan M, Medrik I, Jancik D, Zboril R; Magnetically Modified Bentonite as a Possible Contrast Agent in MRI of Gastrointestinal Tract. Chem. Pap. 61, 413-416, 2007
  2. Bendova L, Jurecka P, Hobza P, Vondrasek J; Model of Peptide Bond-Aromatic Ring Interaction: Correlated Ab Initio Quantum Chemical Study. J. Phys. Chem. B 111(33), 9975-9979, 2007. (Am. Chem. Soc.)
  3. Bourlinos AB, Bakandritsos A, Zboril R, Karakassides M, Trapalis C; Preparation of a water-dispersible carbon-silica composite derived from a silylated molecular precursor. Carbon 45(5), 1108-1111, 2007 (ScienceDirect)
  4. Bourlinos AB, Georgakilas V, Zboril R, Dallas P; Preparation of a water-dispersible carbon nanotube-silica hybrid Carbon 45(10), 2136-2139, 2007 (ScienceDirect)
  5. Cerny J, Jurecka P, Hobza P, Valdes H; Resolution of Identity Density Functional Theory Augmented with an Empirical Dispersion Term (RI-DFT-D): A Promising Tool for Studying Isolated Small Peptides. J. Phys. Chem. A 111(6), 1146-1154, 2007 (Am. Chem. Soc.)
  6. Damborsky J., Petrek M., Banas P., Otyepka M. Identification of tunnels in proteins, nucleic acids, inorganic materials and molecular ensembles Biotechnol. J. 2, 62-67, 2007 (Wiley InterScience)
  7. Filip J, Zboril R, Schneeweiss O, Zeman J, Cernik M, Kvapil P, Otyepka M; Environmental Applications of Chemically Pure Natural Ferrihydrite Environ. Sci. Technol. 41, 4367-4374, 2007 (Am. Chem. Soc.)
  8. Hermanek M, Zboril R, Medrik I, Pechousek J, Gregor C; Catalytic efficiency of iron(III) oxides in decomposition of hydrogen peroxide: competition between surface area and crystallinity of nanoparticles, J. Am. Chem. Soc. 129(35), 10929-10936, 2007 (Am. Chem. Soc.)
  9. Hrbac J, Zeleny T, Tur'yan YA; Mechanism of the catalyzed by cysteine electroreduction of the insoluble in water cobalt(II) salt as a component of carbon paste electrode J. Solid State Electrochem. 11(6), 841-846, 2007 (Springer)
  10. Hrbac J, Gregor C, Machova M, Kralova J, Bystron T, Ciz M, Lojek A; Nitric oxide sensor based on carbon fiber covered with nickel porphyrin layer deposited using optimized electropolymerization procedure. Bioelectrochemistry, 71(1), 46-53, 2007 (ScienceDirect)
  11. Hrbac J, Halouzka V, Zboril R, Papadopoulos K, Triantis T; Carbon Electrodes modified by Nanoscopic Iron (III) Oxides to assemble chemical sensors for the Hydrogen Peroxide amperometric detection. Electroanalysis 19(17), 1850-1854, 2007. (Wiley InterScience)
  12. Jiraskova Y, Marysko M, Zboril R; Magnetic and structural features of amorphous FeMo-based alloys. J. Magnet. Magnet. Mater. 316(2), e16-e19, 2007 (ScienceDirect)
  13. Jurecka P, Cerny J, Hobza P, Salahub DR, Density Functional Theory Augmented with an Empirical Dispersion Term. Interaction Energies and Geometries of 80 Noncovalent Complexes Compared with Ab Initio Quantum Mechanics Calculations J. Comput. Chem. 28(2), 555-569, 2007. (Wiley InterScience)
  14. Kubar T, Jurecka P, Cerny J, Rezac J, Otyepka M, Valdes H, Hobza P; Density-Functional, Density-Functional Tight-Binding, and Wave Function Calculations on Biomolecular Systems J. Phys. Chem. A 111(26), 5642-5647, 2007 (Am. Chem. Soc.)
  15. Lasovsky J, Hrbac J, Sichertova D, Bednar P; Oxidation and chemiluminescence of catechol by hydrogen peroxide in the presence of Co(II)-ions and CTAB micelles. Luminescence 22(5), 501-506, 2007 (Wiley InterScience)
  16. Lee CE, Kim D, Jurecka P, Tarakeshwar P, Hobza P, Kim KS; Understanding of Assembly Phenomena by Aromatic-Aromatic Interactions: Benzene Dimer and the Substituted Systems (Feature Article) J. Phys. Chem A 111(18), 3446-3457, 2007 (Am. Chem. Soc.)
  17. Machala L, Zboril R, Sharma VK, Filip J, Schneeweiss O, Homonnay Z; Mössbauer Characterization and in Situ Monitoring of Thermal Decomposition of Potassium Ferrate(VI), K2FeO4 in Static Air Conditions J. Phys. Chem. B, 111(16), 4280-4286, 2007 (Am. Chem. Soc.)
  18. Machala L, Zboril R, Gedanken A; Amorphous Iron(III) Oxide A Review J. Phys. Chem. B, 111(16), 4003-4018, 2007 (Am. Chem. Soc.)
  19. Meneni SR, Shell SM, Gao L, Jurecka P, Lee W, Sponer J, Zou Y, Chiarelli MP, Cho BP; Spectroscopic and Theoretical Insights into Sequence Effects of Aminofluorene-Induced Conformational Heterogeneity and Nucleotide Excision Repair Biochemistry, 46(40), 11263-11278, 2007 (Am. Chem. Soc.)
  20. Nomura K, Zboril R, Tucek J, Kosaka W, Ohkoshi S; Substitution effects of barium and calcium on magnetic properties of AxSr1-x(Fe0.5Ru0.5)O3 double perovskites (x = 0.05, A = Ba, Ca), J. Appl. Phys. 102, 013907, 2007 (JAP)
  21. Otyepka M, Skopalik J, Anzenbacherova E, Anzenbacher P; What common structural features and variations of mammalian P450s are known to date? (Review) Biochem. Biophys. Acta (General Subjects) 1770(3), 376-389, 2007 (ScienceDirect)
  22. Pavuk M, Miglierini M, Vujtek M, Mashlan M, Zboril R, Jiraskova Y; AFM and Mössbauer spectrometry investigation of the nanocrystallization process in Fe-Mo-Cu-B rapidly quenched alloy. J. Phys.: Condens. Matter 19, 216219, 2007 (IOP)
  23. Petrek M, Kosinova P, Koca J, Otyepka M; MOLE: A Voronoi Diagram-based Explorer of Molecular Channels, Pores and Tunnels. Structure 15(11), 1357-1363, 2007 (ScienceDirect)
  24. Pluhackova K, Jurecka P, Hobza P; Stabilisation energy of C6H6C6X6 (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels. Phys. Chem. Chem. Phys. 9(6):755-760, 2007 (PCCP)
  25. Schneeweiss O, David B, Zak T, Zboril R, Mashlan M; Nanocrystalline Fe-Ni and Fe-Co samples prepared by powder processing. J. Magnet. Magnet. Mater. 310(2), e858-e860, 2007 (ScienceDirect)
  26. Sedlak R, Jurecka P, Hobza P; Density functional theory-symmetry adapted perturbation treatment energy decomposition of nucleic acid base pairs taken from DNA crystal geometry. J. Chem. Phys. 127(7), 075104, 2007 (JCP)
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2006 (20)

  1. David B, Zboril R, Mashlan M, Grygar T, Dumitrache F, Schneeweiss O; Single ferromagnetic behaviour of nanopowders with Fe3C, J. Magn. Magn. Mater., 304(2), e787-e789, 2006. (ScienceDirect)
  2. Barcova K, Mashlan M, Zboril R, Filip J, Podjuklova J, Hrabovska K, Schaaf P; Phase composition of steel-enamel interfaces: effects of chemical pre-treatment, Surface and Coatings Technology, 201(3-4), 1836-1844, 2006 (ScienceDirect)
  3. Mal'arova M, Travnicek Z, Zboril R, Cernak J; [Co(en)3][Fe(CN)6].H2O and [Co(en)3][Fe(CN)6]: A dehydration process investigated by single crystal X-ray analysis, thermal analysis and Mossbauer spectroscopy, Polyhedron 25 (15): 2935-2943, 2006
  4. Banas P, Otyepka M, Jerabek P, Petrek M, Damborsky J; Mechanism of Enhanced Conversion of 1,2,3-Trichloropropane by Mutant Haloalkane Dehalogenase Revealed by Molecular Modeling. J. Comput-Aid. Mol. Des. 20(6), 375-383, 2006 (Springer)
  5. Panacek A, Kvitek L, Prucek R, Kolar M, Vecerova R, Pizurova N, Sharma V K, Nevecna T, Zboril R; Silver Colloid Nanoparticles: Synthesis, Characterization, and Their Antibacterial Activity, J PHYS CHEM B, 110(33):16248-16253 2006 (PubMed)
  6. Schneeweiss O, Zboril R, Pizurova N, Mashlan M; Preparation and properties of iron and iron oxide nanocrystals in MgO matrix HYPERFINE INTERACTIONS 164 (1-4): 35-40 2006
  7. Petrek M, Otyepka M, Banas P, Kosinova P, Koca J, Damborsky J; CAVER: A new tool to explore routes from protein clefts, pockets and cavities, BMC Bioinformatics 7:316 2006 (PubMed)
  8. Psotova J, Vecera R, Zdarilova A, Anzenbacherova E, Kosina P, Svobodova A, Hrbac J, Jirovsky D, Stiborova M, Lichnovsky V, Vicar J, Simanek V, Ulrichova J, Safety assessment of sanguiritrin, alkaloid fraction of Macleaya cordata, in rats, VETERINARNI MEDICINA 51 (4): 145-155 2006
  9. Tucek J, Zboril R, Petridis D; Maghemite nanoparticles by view of Mossbauer spectroscopy, J. Nanosci. Nanotech. 6, 926-947 2006
  10. Hermanek M, Zboril R, Mashlan M, Machala L, Schneeweiss O; Thermal behaviour of iron(II) oxalate dihydrate in the atmosphere of conversion gases, J. Mater. Chem. 16, 1273-1280 2006.
  11. Madarász J, Zboril R, Homonnay Z, Sharma VK, Pokol G; Thermal decomposition of iron(VI) oxides, K2FeO4 and BaFeO4, in an inert atmosphere, J. Solid. State. Chem., 179(5), 1426-1433 2006
  12. Barcova K, Zboril R, Mashlan M, Jiraskova Y, Filip J, Lunacek J, Hrabovska K; Influence of enamel ageing on mechanical properties and phase composition of the steel-enamel systém, Surf. Interf. Anal. 38(4), 413-416 2006.
  13. Komrskova D, Lojek A, Hrbac J, Ciz M.; A Comparison of chemical systems for the generation of reactive oxygen species. Luminescence 21(4),239-244 2006 (PubMed)
  14. Dobes,P., Otyepka, M., Strnad, M., Hobza P; Interaction energies of purine inhibitor – roscovitine with cyclin-dependent kinase 2: correlated ab initio quantum chemical, DFT and empirical calculations CHEM. EUR. J. 12(16), 4297-4304 2006 (PubMed)
  15. Otyepka, M, Sklenovský, P, Horinek, D, Kubař, T, Hobza, P; The stabilization of INK4 tumor suppressor 3D structure evaluated by quantum chemical and molecular mechanics calculations corresponds well with experimental results; interplay of association enthalpy, entropy, and solvation effects. J PHYS CHEM B, 110, 4423-4429 2006 (PubMed)
  16. Otyepka M, Bártová I, Kříž Z, Koča J.; Different mechanisms of CDK5 and CDK2 activation as revealed by CDK5/p25 and CDK2/Cyclin A dynamics. J BIOL CHEM, 281, 7271-7281 2006 (PubMed)
  17. Schneeweiss O., Zboril R., Pizurova N., Mashlan M., Petrovsky E., Tucek J.: Novel solid-state synthesis of alpha-Fe and Fe3O4 nanoparticles embedded in a MgO matrix, Nanotechnology 17, 607-616 2006
  18. Miglierini M., Kaňuch T., Švec P., Krenický T., Vůjtek M., Zbořil R.: Magnetic microstructure of NANOPERM-type nanocrystalline alloys, Phys. Stat. Sol. B, 243, 57-64 2006
  19. Filip J., Novák M., Beran A., Zboril R.: Crystal chemistry and OH defect concentrations in spodumene from different granitic pegmatites, Phys. Chem. Miner. 32 (10), 733-746 2006
  20. Mashlan M.,Kholmetskii A., Yevdokimov V., Pechousek J., Verich O., Zboril R., Tsonchev R.: Mössbauer spectrometer with resonant detector, Nucl. Instrum. Meth. B 243, 241-246 2006.
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2005 (9)

  1. Tucek J, Zboril R.; Zero-field and in-field Mossbauer spectroscopy as a tool for structural and magnetic characterization of maghemite (gamma-Fe2O3) nanoparticles. CZECHOSLOVAK JOURNAL OF PHYSICS 55 (7): 893-911 2005
  2. Jancik D, Mashlan M, Zboril R, et al.; A new fast type of Mossbauer spectrometer for the rapid determination of iron-bearing minerals used in the paint industry. CZECHOSLOVAK JOURNAL OF PHYSICS 55 (7): 803-811 2005
  3. Panacek A, Kvitek L; Colloid chemistry in laboratory practice CHEMICKE LISTY 99 (8): 606-609 2005
  4. Svoboda J, Pelcová M, Nevěčná T, Pytela O; Kinetics and mechanism of acetoxymercuration and acid-catalysed hydration of alpha-alkylstyrenes. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 6 (1-2): 30-44 2005
  5. Hrbáč J, Broncová G, Matějka P, Bystroň T, Vrba J, Volf R, Vičar J; Electrochemistry of benzophenanthridine alkaloids. Formation and characterization of redox active films from products of sanguinarine and chelerythrine oxidation. ELECTROANALYSIS 17 (23): 2175-2181 2005
  6. Kvítek L, Prucek R; The preparation and application of silver nanoparticles. JOURNAL OF MATERIALS SCIENCE (ahead of print) 2005 (review)
  7. Kvítek L, Prucek R, Panáček A, Novotný R, Hrbáč J, Zbořil R; The influence of complexing agent concentration on particle size in the process of SERS active silver colloid synthesis. JOURNAL OF MATERIALS CHEMISTRY 15 (10): 1099-1105 2005 (hot article)
  8. Smekal A, Strnadova H, Sindelar A, Pavlicek A, Walla A; CHEMICAL PAPERS-CHEMICKE ZVESTI 59 (2): 89-92 2005
  9. Bartova I, Otyepka M, Kriz Z, Koca J; The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRK. PROT SCI 14(2): 445-451 2005
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2004 (15)

  1. Ordog V, Stirk WA, Lenobel R, Bancirova M, Strnad M, van Staden J, Szigeti J, Nemeth L; Screening microalgae for some potentially useful agricultural and pharmaceutical secondary metabolites. JOURNAL OF APPLIED PHYCOLOGY 16 (4): 309-314 2004
  2. Zboril R, Machala L, Mashlan M, Sharma V; Iron(III) Oxide Nanoparticles in the Thermally Induced Oxidative Decomposition of Prussian Blue, Fe4[Fe(CN)6]3. CRYSTAL GROWTH & DESIGN 4(6): 1317-1325 2004
  3. Girotti S, Ferri E, Fini F, Bolelli L, Sabatini AG, Budini R, Sichertova D; Automated and manual luminescent assay of antioxidant capacity: analytical features by comparison. TALANTA 64(3): 665-670 2004
  4. Kopel P, Travnicek Z, Zboril R, Marek J; Synthesis, X-ray and Mossbauer study of iron(II) complexes with trithiocyanuric acid (ttcH3). POLYHEDRON 23: 2193-2202 2004
  5. Mashlan M, Yevdokimov V, Pechousek J, et al. Mossbauer spectrometer with novel moving system and resonant detection of gamma rays HYPERFINE INTERACTIONS 156 (1): 15-19 2004
  6. Zboril R, Mashlan M, Machala L, et al. Characterization and thermal behaviour of garnets from almandine-pyrope series at 1200 degrees C HYPERFINE INTERACTIONS 156 (1): 403-410 2004
  7. Bartova I, Otyepka M, Kriz Z, Koca J; Activation and inhibition of cyclin-dependent kinase-2 by phosphorylation; a molecular dynamics study reveals the functional importance of the glycine-rich loop. PROT SCI 13: 1449-1457 2004
  8. Panacek A, Kvitek L, Kleckova M; Colloid chemistry in practical problems CHEM LISTY 98 (1): 39-41 2004
  9. Mrkvova K, Kamenicek J, Sindelar Z, Kvitek L, Mrozinski J, Nahorska M, Zak D: Synthesis, properties and crystal structures of R[M-III(bdt)(2)] complexes (M = Ni, Co, Cu) TRANSIT METAL CHEM 29 (3): 238-244 2004
  10. Frebortova J, Fraaije MW, Galuszka P, Sebela M, Pec P, Hrbac J, Novak O, Bilyeu KD, English JT, Frebort I: Catalytic reaction of cytokinin dehydrogenase: Preference for quinones as electron acceptors BIOCHEM J 380(Pt 1): 121-130 2004
  11. Kriz Z, Otyepka M, Bartova I, Koca J; Analysis of CDK2 active-site hydration: A method to design new inhibitors PROTEINS 55 (2): 258-274 2004
  12. Oakley AJ, Klvana M, Otyepka M, Nagata Y, Wilce MCJ, Damborsky J; Crystal Structure of Haloalkane Dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A Resolution: Dynamics of Catalytic Residues BIOCHEMISTRY-US 43 (4): 870-878 2004
  13. Vrba J, Hrbac J, Ulrichova J, Modriansky M; Sanguinarine is a potent inhibitor of oxidative burst in DMSO-differentiated HL-60 cells by a non-redox mechanism CHEM-BIOL INTERACT 147 (1): 35-47 2004
  14. Hrbac J, Sichertova D, Bancirova M, et al. Sensitized chemiluminescence in micellar mixtures of phthalhydrazide and selected dyes JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 167 (2-3): 169-175 2004
  15. Psotova J, Chlopcikova S, Miketova P, et al. Chemoprotective effect of plant phenolics against anthracycline-induced toxicity on rat cardiomyocytes. Part III. Apigenin, baicalelin, kaempherol, luteolin and quercetin PHYTOTHERAPY RESEARCH 18 (7): 516-521 2004
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2003 (9)

  1. Wiedermannova I, Otyepka M, Styskala J, Slouka J; The synthesis of some polycyclic N-H acids with quinoxaline and [1,2,4]triazines ARKIVOC: 65-74 Part 15 2003
  2. Pytela O, Otyepka M, Kulhanek J, Otyepkova E, Nevecna T; Correlation of Dissociation Constants of 2- and 2,6-Substituted Anilines in Water by Methods Based on the Similarity Principle and Quantum-Chemistry Calculations J. PHYS. CHEM. A 107: 11489-11496 2003
  3. Zboril R, Mashlan M, Barcova K, et al.; Thermal behaviour of pyrope at 1000 and 1100 degrees C: mechanism of Fe2+ oxidation and decomposition model PHYS CHEM MINER 30 (10): 620-627 2003
  4. Otyepkova E., Nevecna T., Kulhanek J., Exner O.; Ortho effect and steric inhibition of resonance: basicities of methyl-substituted acetophenones J. PHYS. ORG. CHEM. 16 (10): 721-725 2003
  5. Moravec J, Krystof V, Hanus J, Havlicek L, Moravcova D, Fuksova K, Kuzma M, Lenobel R, Otyepka M, Strnad M; 2,6,8,9-Tetrasubstituted Purines as New CDK1 Inhibitors BIOORG. MED. CHEM. LETT. 13(18): 2993-2996 2003
  6. Kopel P, Travnicek Z, Kvitek L, et al.; Synthesis and characterization of Cu(II), Co(II) and Ni(II) complexes of trithiocyanuric acid: The structure of {N,N '-bis(3-aminopropyl)-1,3-propane-diamine}-(trithiocyanurato)nickel(II) J COORD CHEM 56 (1): 1-11 2003
  7. Barcova K, Mashlan M, Zboril R, et al.; Mossbauer study of transformation mechanism of Fe cations in olivine after thermal treatments in air J RADIOANAL NUCL CH 255 (3): 529-533 2003
  8. Zboril R, Mashlan M, Papaefthymiou V, et al.; Thermal decomposition of Fe-2(SO4)(3): Demonstration of Fe2O3 polymorphism J RADIOANAL NUCL CH 255 (3): 413-417 2003
  9. Bourlinos AB, Zboril R, Petridis D; A simple route towards magnetically modified zeolites MICROPOR MESOPOR MAT 58 (2): 155-162 2003
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2002 (6)

  1. Ginsburg I, Sadovnic M, Yedgar S, Kohen R, Hrbac J; Hemolysis of human erythrocytes by hypochlorous acid is modulated by amino acids, antioxidants, oxidants, membrane-perforating agents and by divalent metals FREE RADICAL RES 36 (6): 607-619 2002
  2. Otyepka M, Kriz Z, Koca J; Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations J. BIOMOL. STRUCT. DYN. 20 (2): 141-154 2002
  3. Otyepka M, Damborsky J; Functionally relevant motions of haloalkane dehalogenases occur in the specificity-modulating cap domains, PROTEIN. SCI. 11 (5): 1206-1217 2002
  4. Zboril R, Mashlan M, Petridis D; Iron(III) oxides from thermal processes-synthesis, structural and magnetic properties, Mossbauer spectroscopy characterization, and applications, CHEM MATER 14 (3): 969-982 2002
  5. Zboril R, Mashlan M, Barcova K, et al.; Thermally induced solid-state syntheses of gamma-Fe2O3 nanoparticles and their transformation to alpha-Fe2O3 via epsilon-Fe2O3, HYPERFINE INTERACT 139 (1-4): 597-606 2002
  6. Zboril R, Mashlan M, Petridis D, et al.; The role of intermediates in the process of red ferric pigment manufacture from FeSO4 center dot 7H(2)O, HYPERFINE INTERACT 139 (1-4): 437-445 2002
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2001 (5)

  1. Pytela O, Kulhanek J, Jiraskova E, Nevecna T; Construction of interconnected acidity functions based on ortho substituted anilines and N-methylanilines as indicators COLLECT. CZECH. CHEM. C. 66 (11): 1638-1658 2001
  2. Kopel P, Travnicek Z, Kvitek L, et al.; Coordination compounds of nickel with trithiocyanuric acid. Part IV. Structure of [Ni(pmdien)(ttcH)] (pmdien = N,N,N ',N ',N ''-pentamethyldiethylenetriamine, ttcH(3) = trithiocyanuric acid) TRANSIT METAL CHEM 26 (3): 282-286 2001
  3. Barcova K, Mashlan M, Zboril R, et al.; Thermal decomposition of almandine garnet: Mossbauer study CZECH J PHYS 51 (7): 749-754 2001
  4. Zboril R, Mashlan M, Krausova D; Mechanism of solid-state oxidation of FeSO4 center dot h3O: model of simultaneous reactions CZECH J PHYS 51 (7): 719-726 2001
  5. Malon M, Travnicek Z, Marysko M, Zboril R, Maslan M, Marek J, Dolezal K, Rolcik J, Krystof V, Strnad M; Metal complexes as anticancer agents 2. Iron(III) and copper(II) bio-active complexes with N-6-benzylaminopurine derivatives INORG CHIM ACTA 323 (1-2): 119-129 2001
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2000 (4)

  1. Machala V, Travnicek Z, Sindelar Z, Kvitek L, Marek J; Nitrogen-donor base adducts of bis(O,O '-di-isoamyldithiophosphato)nickel(II), TRANSIT METAL CHEM 25 (6): 715-719 2000
  2. Kohen R, Vellaichamy E, Hrbac J, Gati I, Tirosh O; Quantification of the overall reactive oxygen species scavenging capacity of biological fluids and tissues, FREE RADICAL BIO MED 28 (6): 871-879 2000
  3. Hrbac J, Kohen R; Biological redox activity: Its importance, methods for its quantification and implication for health and disease, DRUG DEVELOP RES 50 (3-4): 516-527 2000
  4. Otyepka M, Krystof V, Havlicek L, Siglerova V, Strnad M, Koca J; Docking-based development of purine-like inhibitors of cyclin-dependent kinase-2, J. MED. CHEM. 43(13): 2506-2513 2000
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