1 Benková Attachment I Curriculum Vitae Zuzana Benková, PhD. Polymer Institute, Slovak Academy of Sciences, Dúbravská cesta 9, 842 36 Bratislava, Slovakia Home: Jasovská 5, 851 07 Bratislava, Slovakia, Phone office: (+421 2) 3229 4314 Phone home: (+421 2) 2076 8100 Mobile: 421 904 901 139 E-mail: upolzben@savba.sk Education Organic Chemistry, Department of Organic Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava, Slovakia Honors Doctor of Philosophy, Organic Chemistry/Chemical Physics, Department of Organic Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava, Slovakia, February 2006 Master of Science, Organic Chemistry, Department of Organic Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava, Slovakia, 2001 Principal scientific activities current: Atomistic molecular dynamics (MD) simulations of synthetic biocompatible polymers grafted onto solid surfaces focused on the structure and properties of grafted chains as well as on investigation of characteristic features of thus modified surfaces. Atomistic MD simulations of surfaces covered by layers of anchored polymers as potential barrier against undesired protein adsorption Atomistic MD simulations wetting properties of surfaces covered by irreversibly anchored polymers immersed in the matrix of free chemically identical polymers Coarse-grained Metropolis Monte Carlo simulations of linear and cyclic chains of different stiffness under uni-, bi-, and triaxial confinements modeling biomacromolecular systems (DNA, actin) focused on structural properties and scaling relationships of these properties influenced by confinement previous: 1 2 Benková Quantum-chemical calculations of the electric properties of organic molecules associated with the nonlinear optical properties using variety of theoretical approaches Teaching activities: Faculty of Natural Sciences, Comenius University, 2002-2003 - Seminars on organic chemistry - Excercises on organic chemistry - Excercises on laboratory methods - Seminars on molecular modeling Participation in projects 1. „Molecular Dynamics Simulations of PEO-Modified Surfaces Immersed in a Matrix of Homopolymer Melts or Solutions”, 2013-, principal investigator, Foundation for Science and Technology, Portugal 2. „Molecular dynamics simulations of tethered PEO layers as potential barriers to protein adhesion”, 2010-2013, principal investigator, Foundation for Science and Technology, Portugal 3. „Structural transitions of confined semiflexible macromolecules“, 2012-2015, participating investigator, VEGA 4. „Nanostructure in macromolecular systems induced by confinement“, 2012-2015, participating investigator, APVV 5. „Quantification of geometrically confined macromolecules in polymeric materials and processes“, 2008-2010, participating investigator, APVV 6. „Properties and utilization of semiflexible (bio)macromolecules confined in microchannels and micropores“, „Vlastnosti a využitie menej ohybných (bio)makromolekúl uväznených v mikrokanáloch a mikropóroch“, 2009-2011, participating investigator, VEGA 7. „Nanoscale simulations of (bio)macromolecular systems with special and phase interfaces”, “Nanoškálové simulácie (bio)makromolekulových systémov s priestorovými a fázovými rozhraniami”, 2006-2008, participating investigator, VEGA 8. „Advanced computational chemistry, CE SAV COMCHEM”, 2007-2010, participating investigator, Centrum of Excellence 9. „Semiflexible filamentous actin chain in biaxial confinement of microchannel”, 2007, principal investigator, Polymer Institute, Slovak Academy of Sciences 10. „Structure-nonlinear optical properties relationship of organic molecules”, 2005, principal investigator, Comenius University 11. „Theoretical study of nonlinear optical properties for organic molecules”, 2003, principal investigator, Comenius University Funding ID 1. SFRH/BPD/90265/2012 2. SFRH/BPD/63568/2009 2 3 Benková 3. 2/0093/12, VEGA 4. APVV-0451-11 5. APVV-0079-07 6. VEGA 2/0144/09 7. VEGA 2/6014/26 8. COMCHEM 9. 1224 Polymer Institute, Slovak Academy of Sciences 10. UK-125-2005 11. UK-125-2003 Achievement-Track Record Winner of Š. Schwarz Fund support of SAS for the 10 best PhD theses (2006-2010) Award of the junior researcher (till the age of 35 years) for the best work in 2012 at the Polymer Institute, Slovak Academy of Sciences Principal investigator of two international and three national projects 19 publications in CC journals Participation in international scientific conferences (talks, poster presentations) 165 SCI/WOS citations Publications without the presence of PhD supervisor 1. Comparison of linear and ring DNA macromolecules moderately and strongly confined in nanochannels, Benková Z., Cifra P., Biochemical Society Transaction 41, 625-629 (2013). 2. Simulation of semiflexible cyclic and linear chains moderately and strongly confined in nanochannels, Benková Z., Cifra P., Macromolecules 45, 2597-2608 (2012). 3. Molecular dynamics study of poly(ethylene oxide) chains densely grafted on siloxane surface in dry conditions, Benková Z., D. S. Cordeiro M. N., Journal of Physical Chemistry C 116, 3576-3584 (2012). 4. Molecular dynamics study of water interacting with siloxane surface modified by poly(ethylene oxide) chains, Benková Z., D. S. Cordeiro M. N., Journal of Physical Chemistry C 115, 18740-18751 (2011). 5. Molecular dynamics study of hydrated poly(ethylene oxide) chains grafted on siloxane surface, Benková Z., Szefczyk B., D. S. Cordeiro M. N., Macromolecules 44, 3639-3648 (2011). 6. Stiffening transition in semiflexible cyclic macromolecules, Benková Z., Cifra P., Macromol. Theory Simul. 20, 65-74 (2011). 7. Persistence length of DNA molecules confined in nanochannels, Cifra P., Benková Z., Bleha T., Physical Chemistry Chemical Physics 12, 8934-8942 (2010). 8. Chain Extension of DNA Confined in Channels, Cifra P., Benková Z., Bleha T., Journal of Physical Chemistry B 113, 1843-1851 (2009). 3 4 Benková 9. Fluxional behavior of methyl-substituted tricarbonyl(tropone)iron complexes and their different reactivity, Almássy A., Benková Z., Horváth B., Boháč A., Journal of Organometallic Chemistry 693, 3223-3232 (2008). 10. Persistence lengths and structure factors of wormlike polymers under confinement, Cifra P., Benková Z., Bleha T., Journal of Physical Chemistry B 112, 1367-1375 (2008). 11. Effect of confinement on properties of stiff biological macromolecules, Cifra P., Benková Z., Bleha T., Faraday Discussion 139, 377-392 (2008). 12. Reduced-size polarized basis sets for calculations of molecular electric properties. III. Second-row atoms, Benková Z., Sadlej A.J., Oakes R.E., Bell S.E.J., Theoretical Chemistry Accounts 113, 238-247 (2005). 13. Reduced-size polarized basis sets for calculations of molecular electric properties. II. Simulation of the Raman spectra, Oakes R.E., Bell S.E.J., Benková Z., Sadlej A.J., Journal of Computational Chemistry 26, 154-159 (2005). 14. Reduced-size polarized basis sets for calculations of molecular electric properties. I. the basis set generation, Benková Z., Sadlej A.J., Oakes R.E., Bell S.E.J., Journal of Computational Chemistry 26, 145-153 (2005). 15. Electric moments of carbon dichalcogenides, Benková Z., Sadlej A.J., Molecular Physics 102, 687-699 (2004). 16. Redox chemistry of organoselenium compounds: Ab initio and density functional theory calculations on model systems for transition states and intermediates of the redox cycle of selenoenzymes, Benková Z., Kóňa J., Gann G., Fabian W.M.F., International Journal of Quantum Chemistry 90, 555-565 (2002). Publications with the presence of PhD supervisor 17. Electric properties of formaldehyde, thioformaldehyde, urea, formamide, and thioformamide-Post-HF and DFT study, Benková Z., Černušák I., Záhradnik P., International Journal of Quantum Chemistry 107, 2133-2152 (2007). 18. Basis set and electron correlation effects on static electric properties of 1,3thiazoles and 1,3-benzothiazoles as potential fragments in push-pull NLO chromophores, Benková Z., Černušák I., Záhradnik P., Molecular Physics 104, 20112026 (2006). 19. Theoretical study of static electric properties of benzothiazole containing push-pull systems as potential candidates for NLO materials, Benková Z., Černušák I., Záhradnik P., Structural Chemistry 17, 287-300 (2006). Research monographs, chapters in collective volumes Granted patents Invited presentations at internationally established conferences and international advanced schools 4 5 Benková Molecular dynamics study of water interacting with siloxane surface modified by poly(ethylene oxide) chains, Z. Benková, M. N. D. S. Cordeiro, EMLG/JMLG Annual Meeting Hungary“Molecular Association in Fluid Phase and at Fluid Interfaces”, Eger, Hungary, September 5-9, 2012, Book of Abstracts, p. 24. (P) Research expeditions 3-year stay at the Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, Portugal, Supervisor: Prof. M. Natália D. S. Cordeiro February 2010-January 2013 3-month visiting research stay at the Department of Chemistry, Faculty of Science, Catholic University of Leuven, Belgium, Supervisor: Prof. Erik Nies, 2008 2-month visiting research stay at the Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic in Prague, Czech Republic, Supervisor: Prof. M. Lísal, 2007 10-month visiting study stay at the Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University of Torun, Poland, Supervisor: Prof. A. J. Sadlej, 2003-2004 2-month visiting study stay at the Department of Organic Chemistry, Institute of Chemistry, Karl-Franzes University of Graz, Austria, Supervisor: Prof. W. M. F. Fabian, 2003 2-month visiting study stay at the Department of Organic Chemistry, Institute of Chemistry, Karl-Franzes University of Graz, Austria, Supervisor: Prof. W. M. F. Fabian, 2000 Organization of International conferences International Prizes/Awards Memberships to Editorial Boards of International Journals Participation at Conferences (selected) 1. Comparison of linear and ring DNA chains moderately and strongly confined in nanochannels, Benková Z., Bleha T., Cifra P., VII. Slovak-Czech conference Polymers 2012, November 2012, Smolenice, L19, poster. 2. Molecular dynamics study of water interacting with siloxane surface modified by poly(ethylene oxide) chains, Benková Z., D. S. Cordeiro M. N., EMLG/JMLG Annual Meeting Hungary“Molecular Association in Fluid Phase and at Fluid Interfaces”, Eger, Hungary, 5-9 September, 2012, Book of Abstracts, p. 24, lecture. 3. Simulation of semiflexible cyclic and linear chains moderately and strongly confined in nanochannels, Benková Z., Cifra P., Gordon Research Conference – Biopolymers, 3-8 June, 2012, Newport, RI, USA, poster. 4. Simulation of cyclic and linear DNA chains moderately and strongly confined in nanochannels, Z. Benková, P. Cifra, workshop „Topology aspects of DNA function and protein folding“,3-7 September 2012, Cambridge, UK, poster. 5. .Molecular dynamics study of hydrated poly(ethylene oxide) chains grafted on siloxane surface, Benková Z., Szefczyk B., D. S. Cordeiro M. N., MMSD 2011, Mainz, Germany, 25-27 May 2011, Proceedings, P4, poster. 5 6 Benková 6. Molecular dynamics simulations of tethered PEO layers as potential barriers to protein adhesion, Benková Z., D. S. Cordeiro M. N., Cifra P., CCP5 Annual Meeting 2010, 13-15 September 2010, Sheffield, UK, Proceedings, P2, poster. 7. Structural modification of cyclic and linear macromolecules induced by chain stiffness, Benková Z., Cifra P., Macro2010, 12-16 July 2010, Glasgow, UK, Proceedings, E16_O07, poster. 8. Chain Extension of DNA Confined in Channels, Cifra P., Benková Z., Bleha T. Frontiers in polymer science, 7-9 June 2009, Mainz, Germany, Proceedings, P1-119, poster. 9. Structural and dimensional properties of DNA under confinement, Benková Z., Cifra P., Bleha T., 2nd Bratislava Young Polymer Scientist Workshop BYPOS 09, Proceedings 2-6 February 2009, Krompachy, Slovakia, Book of Abstracts, p. 49, lecture. 10. Extension of a DNA chain induced by the biaxial confinement, Benková Z., Cifra P., Bleha T., 5th Slovak-Czech Conference Polymers 2008, 28 September-1 October 2008, Stará Lesná, Slovakia, Proceedings, L19, lecture. 11. Simulations of dimensional properties of DNA-like biopolymers confined in nanochannels, Bleha T., Cifra P., Benková Z., Conf. Physics Meets Biology, Oxford, UK, 13-16 July 2008, Proceedings, p.108, poster. 12. Densely packed semi-rigid chains in a spherical cavity, Benková Z., Cifra P., Bleha T., Mainz Materials Simulation Days 2007, Mainz, Germany, 13-15 June 2007, Proceedings, p. 50, poster. 13. Theoretical study of static electric properties of conjugated molecules, Benková Z., Černušák I., Zahradník P., EUCO-06, Tále, Slovakia, 3-7 September 2006, Proceedings, p. 70, poster. 6