Carbon nanostructures, biomacromolecules and simulations
Graphene is an amazing two-dimensional carbon based material with numerous extraordinary properties, which predetermine it for exploitations in countless applications. The enormous application potential of graphene can be enhanced by its chemical functionalization. So far, only a few well-defined graphene …
Prof. RNDr. Michal Otyepka, Ph.D. won the 2014 Neuron Impuls competition in chemistry. He succeeded with project: Graphene interface – biomolecule as the way to cyborgs. Grant competition organizes Neuron – Fund for Support of
V. Georgakilas, A. Demeslis, E. Ntararas, A. Kouloumpis, K. Dimos, D. Gournis, M. Kocman, M. Otyepka, R. Zbořil: Hydrophilic Nanotube Supported Graphene-Water Dispersible Carbon Superstructure with Excellent Conductivity, ADVANCED FUNCTIONAL MATERIALS 25, 10, 2015.
The authors of RCPTM František Karlický, Kasibhatta Kumara Ramanatha Datta , Michal Otyepka , and Radek Zbořil have published paper in ACS Nano. The paper is entitled “Halogenated Graphenes: Rapidly Growing Family of Graphene Derivatives”
ACS Nano, 2013, 7 (8), pp 6434–6464, IF=12,062, DOI: 10.1021/nn4024027
One of the most prestigious journal of American Chemical Society accepted the paper of the authors from RCPTM: Lazar, Petr; Karlicky, Frantisek; Jurecka, Petr; Kocman, Mikulas; Otyepkova, Eva; Safarova, Klara; Otyepka, Michal. The paper is entitled “Adsorption of Small Organic Molecules on Graphene“.
J. Am. Chem. Soc., JA, , 135(16), 6372-6377, 2013
The authors of RCPTM Petr Lazar, Klara Safarova, Pavel Hobza, Radek Zboril and Michal Otyepka have just published paper in ACS Nano in the collaboration with Interdisciplinary Nanoscience Center, Aarhus University. Petr Lazar, Shuai Zhang, Klara Safarova, Qiang Li, Jens Peter Froning, Jaroslav Granatier, Pavel Hobza, Radek Zboril, Flemming Besenbacher, Mingdong Dong, and Michal Otyepka: Quantification of the Interaction Forces between Metals and Graphene by Quantum Chemical Calculations and Dynamic Force Measurements under Ambient Conditions. ACS Nano, 2013, 7 (2), pp 1646–1651. DOI: 10.1021/nn305608a
RCPTM is a partner in the Centre of Excellence project “Controlling Structure and Function of Biomolecules at the Molecular Scale: Theory Meets Experiments”. This project is coordinated by Institute of Organic Chemistry and Biochemistry of the AS CR (Link. Other partners of the project are Charles University in Prague, Faculty of Sciences and J.Heyrovský Institute of Physical Chemistry of the AS CR.
Scientific News In Carbon Nanostructures and Biomacromolecules
Head of the Division:
About the group:
Graphene and its derivatives (fluorographene, graphene oxide) belong to extensively studied compounds within the framework of our research. The research includes the development of novel methods for the functionalization and chemical modification of graphene and its derivatives. We benefit from a tight connection between both theoretical and experimental approaches. Other research directions include explorations of fluorescent carbon quantum dots and their application for cell imaging, along with the study of porous carbon nanostructures for environmental and catalytic applications. The group develops theoretical methods and tools for the study of biomacromolecules and nanomaterials. The focus is on the structure and dynamics of biomacromolecules and their functional components, on the interaction of biomacromolecules with membrane bilayers, on enzyme and RNA catalysis.
P. Trouillas, J. C. Sancho-García, V. De Freitas, J. Gierschner, M. Otyepka, O. Dangles: Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment,CHEMICAL REVIEWS vol. 116, iss. 9, pp. 4937-4982, 2016.
DOI: 10.1021/acs.chemrev.5b00507, IF = 46.568
M. H. Kolář, P. Hobza: Computer Modeling of Halogen Bonds and Other σ-Hole Interactions, CHEMICAL REVIEWS vol. 116, iss. 9, pp. 5155-5187, 2016.
DOI: 10.1021/acs.chemrev.5b00560, IF = 46.568
M. Dubecký, L. Mitas, P. Jurečka: Noncovalent Interactions by Quantum Monte Carlo, CHEMICAL REVIEWS vol. 116, iss. 9, pp. 5188-5215, 2016.
DOI: 10.1021/acs.chemrev.5b00577, IF = 46.568
X. Chia, A. Adriano, P. Lazar, Z. Sofer, J. Luxa, M. Pumera: Layered Platinum Dichalcogenides (PtS 2 , PtSe 2 , and PtTe 2 ) Electrocatalysis: Monotonic Dependence on the Chalcogen Size , ADV. FUNCT. MATER., 2016.
DOI: 10.1002/adfm.201505402, IF = 10.4
C. C. Givelet, P. I. Dron, J. Wen, T. F. Magnera, M. Zamadar, K. Čépe, H. Fujiwara, Y. Shi, M. R. Tuchband, N. Clark, R. Zboril, J. Michl: Challenges in the Structure Determination of Self-Assembled Metallacages. What Do Cage Cavities Contain, Solvent or Internal Vapor Bubbles?, J. AM. CHEM. SOC., ASAP, 2016.
DOI: 10.1021/jacs.5b12050, IF = 12.113
V. Georgakilas, A. Demeslis, E. Ntararas, A. Kouloumpis, K. Dimos, D. Gournis, M. Kocman, M. Otyepka, R. Zbořil: Hydrophilic Nanotube Supported Graphene-Water Dispersible Carbon Superstructure with Excellent Conductivity, ADVANCED FUNCTIONAL MATERIALS vol. 25, iss. 10, pp. 1481-1487, 2015.
DOI: 10.1002/adfm.201403801, IF = 10.4
V. Urbanová, K. Holá, A. B. Bourlinos, K. Čépe, A. Ambrosi, A. H. Loo, M. Pumera, F. Karlický, M. Otyepka, R. Zbořil: Thiofluorographene-Hydrophilic Graphene Derivative with Semiconducting and Genosensing Properties, ADV. MATER., vol. 27, iss. 14, pp. 2305-2310, 2015.
DOI: 10.1002/adma.201500094, IF = 15.409
K. Hola, Y. Zhang, Y. Wang, E. P. Giannelis, R. Zboril, A. L. Rogach: Carbon dots—Emerging light emitters for bioimaging, cancer therapy and optoelectronics, NANO TODAY 9, 5, (2014).
DOI: 10.1016/j.nantod.2014.09.004, IF=18.432
J. Fanfrlík, A. Přáda, Z. Padělková, A. Pecina, J. Macháček, M. Lepšík, J. Holub, A. Růžička, D. Hnyk and P. Hobza: “The Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics”, ANGEW. CHEM. INT. ED., vol. 53, iss. 38, pp. 10139-10142, 2014.
DOI: 10.1002/anie.201405901, IF=11.336
P. Lazar, C. K. Chua, K. Holá, R. Zbořil, M. Otyepka, M. Pumera: Dichlorocarbene-Functionalized Fluorographene: Synthesis and Reaction Mechanism, SMALL, 2015.
J. Sponer, P. Banáš, P. Jurecka, M. Zgarbova, P. Kührová, M. Havrila, M. Krepl, P. Stadlbauer and M. Otyepka: “Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome.”, J. PHYS. CHEM. LETT., vol. 5, iss. 10, pp. 1771-1782, 2014.
DOI: 10.1021/jz500557y, IF=6.687
P. Lazar, E. Otyepková, P. Banáš, A. Fargašová, K. Šafářová, L. Lapčík, J. Pechoušek, R. Zbořil and M. Otyepka: “The nature of high surface energy sites in graphene and graphite”, CARBON, vol. 73, pp. 448-453, 2014.
DOI: 10.1016/j.carbon.2014.03.010, IF=6.160
K. Hola, A. Bourlinos, O. Kozak, K. Berka, K. Siskova, M. Havrdova, J. Tucek, K. Safarova, M. Otyepka, E. Giannelis and R. Zboril: “Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission”, CARBON, vol. 70, pp. 279-286, 2014.
DOI: 10.1016/j.carbon.2014.01.008, IF=6.160
X. Chia, A. Ambrosi, M. Otyepka, R. Zbořil and M. Pumera: “Fluorographites (CFx)n Exhibit Improved Heterogeneous Electron-Transfer Rates with Increasing Level of Fluorination: Towards the Sensing of Biomolecules “, CHEMISTRY – A EUROPEAN JOURNAL, vol. 20, iss. 22, pp. 6665-6671, 2014.
DOI: 10.1002/chem.201402132, IF=5.696
M. Paloncýová, G. Fabre, R. H. DeVane, P. Trouillas, K. Berka and M. Otyepka: “Benchmarking of Force Fields for Molecule–Membrane Interactions”,J. CHEM. THEORY COMPUT., 10 (9), pp. 4143-4151, 2014.
DOI: 10.1021/ct500419b, IF=5.310
DOI: 10.1021/la503289v, IF=4.384
Lazar, P; Zhang, S; Safarova, K; Li, Q; Froning, JP; Granatier, J; Hobza, P; Zboril, R; Besenbacher, F; Dong, MD; 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.
DOI: 10.1021/nn305608a, IF=12.062
DOI: 10.1021/nn4024027, IF=12.062
DOI: 10.1021/ja403162r, IF=11.444
Vasilios Georgakilas, Michal Otyepka, Athanasios B. Bourlinos, Vimlesh Chandra, Namdong Kim, K. Christian Kemp, Pavel Hobza, Radek Zboril, and Kwang S. Kim: Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications CHEMICAL REVIEWS, 112 (11), 6156-6214, 2012.
DOI: 10.1021/cr3000412 , IF=45.661
Visiting scientists – Team leaders: