Publikace

@article{Zaoralová2021,

title = {Single Atom Catalysts: Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single‐Atom Catalysts.},

author = {Dagmar Zaoralová and Radim Mach and Petr Lazar and Miroslav Medved' and Michal Otyepka},

doi = {10.1002/admi.202170041},

year  = {2021},

date = {2021-04-23},

journal = {Adv. Mater. Interfaces},

volume = {8},

number = {8},

pages = {2170041},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Tantis2021,

title = {Covalently Interlinked Graphene Sheets with Sulfur‐Chains Enable Superior Lithium–Sulfur Battery Cathodes at Full‐Mass Level.},

author = {Iosif Tantis and Aristides Bakandritsos and Dagmar Zaoralová and Miroslav Medved' and Petr Jakubec and Jana Havláková and Radek Zbořil and Michal Otyepka},

doi = {10.1002/adfm.202101326},

year  = {2021},

date = {2021-04-15},

journal = {Adv. Funct. Mater.},

volume = {ASAP},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Malina2021,

title = {Carbon dots for in vivo fluorescence imaging of adipose tissue-derived mesenchymal stromal cells.},

author = {Tomáš Malina and Kateřina Poláková and Josef Skopalík and Věra Milotová and Kateřina Holá and Markéta Havrdová and Kateřina Tomanková and Vratislav Cmiel and Luděk Sefc and Radek Zbořil},

doi = {10.1016/j.carbon.2020.11.028},

year  = {2021},

date = {2021-04-15},

journal = {Carbon},

volume = {174},

pages = {771-771},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ženata2021,

title = {The impact of graphene oxide on androgen receptor signalling in prostate cancer cells.},

author = {Ondřej Ženata and Aleš Panáček and Libor Kvítek and Radim Vrzal},

doi = {10.1016/j.chemosphere.2020.128759},

year  = {2021},

date = {2021-04-15},

journal = {CHEMOSPHERE},

volume = {269},

pages = {128759},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gutten2021,

title = {Conformational energies and equilibria of cyclic dinucleotides in vacuo and in solution: computational chemistry vs. NMR experiments dagger.},

author = {Ondřej Gutten and Petr Jurečka and Zahra Aliakbar Tehrani and Miloš Budešínský and Jan Řezáč and Lubomír Rulíšek},

doi = {10.1039/d0cp05993e},

year  = {2021},

date = {2021-03-28},

journal = {Phys. Chem. Chem. Phys.},

volume = {23},

number = {12},

pages = {7280-7294},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Malá2021,

title = {The application of antimicrobial photodynamic inactivation on methicillin-resistant S. aureus and ESBL-producing K. pneumoniae using porphyrin photosensitizer in combination with silver nanoparticles.},

author = {Zuzana Malá and Ludmila Žárská and Robert Bajgar and Kateřina Bogdanová and Milan Kolář and Aleš Panáček and Svatopluk Binder and Hana Kolářová},

doi = {10.1016/j.pdpdt.2020.102140},

year  = {2021},

date = {2021-03-24},

journal = {Photodiagn. Photodyn. Ther.},

volume = {33},

pages = {102140},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Špičáková2021,

title = {in vitro and in silico Studies of Interaction of Synthetic 2,6,9-Trisubstituted Purine Kinase Inhibitors BPA-302, BP-21 and BP-117 With Liver Drug-Metabolizing Cytochromes P450.},

author = {Alena Špičáková and Petr Kraus and Tomáš Gucký and Vladimír Kryštof and Miroslav Strnad and Václav Bazgier and Michal Otyepka and Vendula Kubíčková and Martin Poruba and Zuzana Rácová and Iveta Zapletalová and Pavel Anzenbacher},

doi = {10.33549/physiolres.934611},

year  = {2021},

date = {2021-03-01},

journal = {Physiol. Res.},

volume = {69},

number = {4},

pages = {S627-S636},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Navrátil2021,

title = {Large Magnetic Anisotropy in OsIr Dimer Anchored in Defective Graphene},

author = {Jan Navrátil and Piotr Blonski and Michal Otyepka},

doi = {10.1088/1361-6528/abe966},

year  = {2021},

date = {2021-02-24},

journal = {Nanotechnology},

volume = {32},

number = {23},

pages = {230001},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lapčíková2021,

title = {Effect of the rice flour particle size and variety type on water holding capacity and water diffusivity in aqueous dispersions.},

author = {Barbora Lapčíková and Lubomír Lapčík and Tomáš Valenta and Petr Majar and Kristýna Ondroušková},

doi = {10.1016/j.lwt.2021.111082},

year  = {2021},

date = {2021-02-11},

journal = {LWT},

volume = {142},

pages = {111082},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lo2021,

title = {Structure-directed formation of the dative/covalent bonds in complexes with C70MIDLINE HORIZONTAL ELLIPSISpiperidine.},

author = {Rabindranath Lo and Maximilian Lamanec and Weizhou Wang and Debashree Manna and Aristides Bakandritsos and Martin Dračínský and Radek Zbořil and Dana Nachtigallová and Pavel Hobza},

doi = {10.1039/d0cp06280d},

year  = {2021},

date = {2021-02-10},

journal = {Phys. Chem. Chem. Phys.},

volume = {23},

number = {7},

pages = {4365-4375},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Osella2021,

title = {The influence of lipid membranes on fluorescent probes' optical properties.},

author = {Silvio Osella and Stefan Knippenberg},

doi = {10.1016/j.bbamem.2020.183494},

year  = {2021},

date = {2021-02-10},

journal = {Biochim. Biophys. Acta, Biomembr.},

volume = {1863},

number = {2},

pages = {183494},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Balouch2021,

title = {In-silico screening of drug candidates for thermoresponsive liposome formulations},

author = {Martin Balouch and Martin Šrejber and Marek Šoltys and Petra Janská and František Štěpánek and Karel Berka},

doi = {10.1039/D0ME00160K},

year  = {2021},

date = {2021-02-08},

journal = {Mol. Syst. Des. Eng.},

volume = {6},

pages = {368-380},

abstract = {Liposomal formulations can be advantageous in many scenarios such as targeted delivery to reduce the systemic toxicity of highly potent active pharmaceutical ingredients (APIs), to increase drug bioavailability by prolonging systemic circulation, to protect labile APIs from degradation in the gastrointestinal tract, or to improve skin permeation in dermal delivery. However, not all APIs are suitable for encapsulation in liposomes. Some of the issues are too high permeability of the API across the lipid bilayer, which may lead to premature leakage, too low permeability, which may hinder the drug release process, or too strong membrane affinity, which may reduce the overall efficacy of drug release from liposomes. Since the most reliable way to test API encapsulation and release from liposomes so far has been experimental, an in silico model capable of predicting API transport across the lipid bilayer might accelerate formulation development. In this work, we demonstrate a new in silico approach to compute the temperature-dependent permeability of a set of compounds across the bilayer of virtual liposomes constructed by molecular dynamics simulation. To validate this approach, we have conducted a series of experiments confirming the model predictions using a homologous series of fluorescent dyes. Based on the performance of individual molecules, we have defined a set of selection criteria for identifying compatible APIs for stable encapsulation and thermally controlled release from liposomes. To further demonstrate the in silico-based methodology, we have screened the DrugBank database, identified potent drugs suitable for liposome encapsulation and successfully carried out the loading and thermal release of one of them – the antimicrobial compound cycloserine.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Mistrik2021,

title = {Microthermal-induced subcellular-targeted protein damage in cells on plasmonic nanosilver-modified surfaces evokes a two-phase HSP-p97/VCP response},

author = {Martin Mistrik and Zdeněk Skrott and Petr Muller and Aleš Panáček and Lucie Hochvaldová and Katarina Chroma and Tereza Buchtová and Veronika Vandová and Libor Kvítek and Jiří Bártek},

url = {https://www.nature.com/articles/s41467-021-20989-9},

doi = {10.1038/s41467-021-20989-9},

year  = {2021},

date = {2021-01-29},

journal = {Nat. Commun.},

volume = {12},

pages = {713},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sillitoe2020,

title = {CATH: increased structural coverage of functional space},

author = {Ian Sillitoe and Nicola Bordin and Natalie Dawson and Vaishali P Waman and Paul Ashford and ... and Karel Berka and Ivana Hutařová Vařeková and Radka Svobodová and Jon Lees and Christine A Orengo},

doi = {10.1093/nar/gkaa1079},

year  = {2021},

date = {2021-01-01},

journal = {Nucl Acids Res},

volume = {49},

pages = {266–273},

abstract = {CATH (https://www.cathdb.info) identifies domains in protein structures from wwPDB and classifies these into evolutionary superfamilies, thereby providing structural and functional annotations. There are two levels: CATH-B, a daily snapshot of the latest domain structures and superfamily assignments, and CATH+, with additional derived data, such as predicted sequence domains, and functionally coherent sequence subsets (Functional Families or FunFams). The latest CATH+ release, version 4.3, significantly increases coverage of structural and sequence data, with an addition of 65,351 fully-classified domains structures (+15%), providing 500 238 structural domains, and 151 million predicted sequence domains (+59%) assigned to 5481 superfamilies. The FunFam generation pipeline has been re-engineered to cope with the increased influx of data. Three times more sequences are captured in FunFams, with a concomitant increase in functional purity, information content and structural coverage. FunFam expansion increases the structural annotations provided for experimental GO terms (+59%). We also present CATH-FunVar web-pages displaying variations in protein sequences and their proximity to known or predicted functional sites. We present two case studies (1) putative cancer drivers and (2) SARS-CoV-2 proteins. Finally, we have improved links to and from CATH including SCOP, InterPro, Aquaria and 2DProt.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kaszonyiová2020,

title = {The effect of long-term natural aging on the iPB-1 structure and the II – I phase transformation rate.},

author = {M. Kaszonyiová and F. Rybnikář and Lubomír Lapčík and J Vilčáková},

doi = {10.1016/j.polymdegradstab.2020.109437},

year  = {2021},

date = {2021-01-01},

journal = {Polym. Degrad. Stab.},

volume = {183},

pages = {109437},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Diachkov2021,

title = {Synthesis and Biological Activity of Brassinosteroid Analogues with a Nitrogen-Containing Side Chain.},

author = {Mikhail V. Diachkov and Karoll Ferrer and Jana Oklešťková and Lucie Rarová and Václav Bazgier and Miroslav Kvasnica},

doi = {10.3390/ijms22010155},

year  = {2021},

date = {2021-01-01},

journal = {Int. J. Mol. Sci.},

volume = {22},

number = {1},

pages = {155},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Langer2021,

title = {Progress and challenges in understanding of photoluminescence properties of carbon dots based on theoretical computations.},

author = {Michal Langer and Markéta Paloncýová and Miroslav Medved' and Martin Pykal and Dana Nachtigallová and Baimei Shi and Adélia J. A. Aquino and Hans Lischka and Michal Otyepka},

doi = {10.1016/j.apmt.2020.100924},

year  = {2021},

date = {2021-01-01},

journal = {Appl. Mater. Today},

volume = {22},

pages = {100924},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lapčík2020b,

title = {Study of the material engineering properties of high-density poly(ethylene)/perlite nanocomposite materials},

author = {Lubomír Lapčík and Martin Vašina and Barbora Lapčíková and Michal Staněk and Martin Ovsík and Yousef Murtaja},

doi = {10.1515/ntrev-2020-0113},

year  = {2020},

date = {2020-12-31},

journal = {Nanotechnol. Rev.},

volume = {9},

number = {1},

pages = {1491–1499},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Malá2020,

title = {The Application of Antimicrobial Photodynamic Inactivation on methicillin-resistant S. aureus and ESBL-producing K. pneumoniae using porphyrin photosensitizer in combination with silver nanoparticles},

author = {Zuzana Malá and Ludmila Žárská and Robert Bajgar and Kateřina Bogdanová and Milan Kolář and Aleš Panáček and Svatopluk Binder and Hana Kolářová},

doi = {10.1016/j.pdpdt.2020.102140},

year  = {2020},

date = {2020-12-08},

journal = {Photodiagn. Photodyn. Ther.},

volume = {33},

pages = {102140},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sehnal2020,

title = {High-performance macromolecular data delivery and visualization for the web},

author = {David Sehnal and Radka Svobodová and Karel Berka and Alexandr S Rose and S K Burley and Sameer Velankar and Jaroslav Koča},

doi = {10.1107/S2059798320014515},

issn = {2059-7983},

year  = {2020},

date = {2020-11-26},

journal = {Acta Cryst D},

volume = {76},

number = {12},

pages = {D76},

abstract = {Biomacromolecular structural data make up a vital and crucial scientific resource that has grown not only in terms of its amount but also in its size and complexity. Furthermore, these data are accompanied by large and increasing amounts of experimental data. Additionally, the macromolecular data are enriched with value-added annotations describing their biological, physicochemical and structural properties. Today, the scientific community requires fast and fully interactive web visualization to exploit this complex structural information. This article provides a survey of the available cutting-edge web services that address this challenge. Specifically, it focuses on data-delivery problems, discusses the visualization of a single structure, including experimental data and annotations, and concludes with a focus on the results of molecular-dynamics simulations and the visualization of structural ensembles.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lapčík2020,

title = {Effect of rapeseed oil on the rheological, mechanical and thermal properties of plastic lubricants.},

author = {Lubomír Lapčík and Martin Vašina and Barbora Lapčíková and Adam Bureček and Lumír Hružík},

doi = {10.1007/s11043-020-09474-w},

year  = {2020},

date = {2020-10-23},

journal = {Mech Time-Depend Mater},

volume = {213},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Porubská2020,

title = {Radiation-modified wool for adsorption of redox metals and potentially for nanoparticles.},

author = {Mária Porubská and Klaudia Jomová and Ľubomír Lapčík and Jana Braniša},

doi = {10.1515/ntrev-2020-0080 |},

year  = {2020},

date = {2020-10-23},

journal = {Nanotechnol. Rev.},

volume = {9},

number = {I},

pages = {1017–1026},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Vermisoglou2020,

title = {Human virus detection with graphene-based materials.},

author = {Eleni Vermisoglou and David Panáček and Kolleboyina Jayaramulu and Martin Pykal and Ivo Frebort and Milan Kolář and Marian Hajduch and Radek Zbořil and Michal Otyepka},

doi = {10.1016/j.bios.2020.112436},

year  = {2020},

date = {2020-10-15},

journal = {Biosens. Bioelectron.},

volume = {166},

pages = {112436},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Han2020,

title = {Stretch-Healable Molecular Nanofibers.},

author = {Yanxiao Han and Michal Langer and Miroslav Medved' and Michal Otyepka and Petr Kral},

doi = {10.1002/adts.202000094},

year  = {2020},

date = {2020-10-15},

journal = {Adv. Theor. Simul.},

volume = {3},

number = {10},

pages = {2000094},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kupka2020,

title = {Well-Blended PCL/PEO Electrospun Nanofibers with Functional Properties Enhanced by Plasma Processing.},

author = {Vojtěch Kupka and Eva Dvořáková and Anton Manakhov and Miroslav Michlíček and josef Petrus and Lucy Vojtová and Lenka Zajíčková},

doi = {10.3390/polym12061403},

year  = {2020},

date = {2020-10-05},

journal = {Polymers},

volume = {12},

number = {6},

pages = {1403},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Rautela2020,

title = {Mechanistic Insight into the Limiting Factors of Graphene-Based Environmental Sensors.},

author = {Ranjana Rautela and Samantha Scarfe and Jean-Michel Guay and Petr Lazar and Martin Pykal and Saied Azimi and Cedric Grenapin and Justin Boddison-Chouinard and Alexei Halpin and Weixiang Wang and Lukasz Andrzejewski and Ryan Plumadore and Jeongwon Park and Jean-Michel Menard and Michal Otyepka and Adina Luican-Mayer},

doi = {10.1021/acsami.0c09051},

year  = {2020},

date = {2020-09-30},

journal = {ACS Appl. Mater. Interfaces},

volume = {12},

number = {35},

pages = {39764-39771},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Shao2020,

title = {Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorization via valence bond theory and high-level computational approaches.},

author = {Xin Shao and Adelia J. A. Aquino and Michal Otyepka and Dana Nachtigallová and Hans Lischka},

doi = {10.1039/D0CP02688C},

year  = {2020},

date = {2020-09-18},

journal = {Phys. Chem. Chem. Phys.},

volume = {22},

pages = {22003-22015},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{delaTorre2020,

title = {Tailoring pi-conjugation and vibrational modes to steer on-surface synthesis of pentalene-bridged ladder polymers .},

author = {Bruno Torre and Adam Matěj and Ana Sánchez-Grande and Borja Cirera and Benjamin Mallada and Eider Rodríguez-Sánchez and José Santos and Jesus Mendieta-Moreno and Shayan Edalatmanesh and Koen Lauwaet and Michal Otyepka and Miroslav Medved' and Alvaro Buendía and Rodolfo Miranda and Nazario Martín and Pavel Jelínek and David Écija},

doi = {10.1038/s41467-020-18371-2},

year  = {2020},

date = {2020-09-11},

journal = {Nat. Commun.},

volume = {11},

pages = {4567},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kubiasová2020,

title = {Cytokinin fluoroprobe and receptor CRE1/AHK4 localize to both plasma membrane and endoplasmic reticulum},

author = {Karolina Kubiasová and Juan Carlos Montesinos and Olga Šamajová and Jaroslav Nisler and Václav Mik and Hana Semerádová and Lucie Plíhalová and Ondřej Novák and Peter Marhavý and Nicola Cavallari and David Zalabák and Karel Berka and Karel Doležal and Petr Galuszka and Jozef Šamaj and Miroslav Strnad and Eva Benková and Ondřej Plíhal and Lukáš Spíchal},

doi = {10.1038/s41467-020-17949-0},

year  = {2020},

date = {2020-08-27},

journal = {Nat Commun},

volume = {11},

pages = {4285},

abstract = {Plant hormone cytokinins are perceived by a subfamily of sensor histidine kinases (HKs), which via a two-component phosphorelay cascade activate transcriptional responses in the nucleus. Subcellular localization of the receptors proposed the endoplasmic reticulum (ER) membrane as a principal cytokinin perception site, while study of cytokinin transport pointed to the plasma membrane (PM)-mediated cytokinin signalling. Here, by detailed monitoring of subcellular localizations of the fluorescently labelled natural cytokinin probe and the receptor ARABIDOPSIS HISTIDINE KINASE 4 (CRE1/AHK4) fused to GFP reporter, we show that pools of the ER-located cytokinin receptors can enter the secretory pathway and reach the PM in cells of the root apical meristem, and the cell plate of dividing meristematic cells. Brefeldin A (BFA) experiments revealed vesicular recycling of the receptor and its accumulation in BFA compartments. We provide a revised view on cytokinin signalling and the possibility of multiple sites of perception at PM and ER.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Langer2020b,

title = {Molecular Fluorophores Self-Organize into C-Dot Seeds and Incorporate into C-Dot Structures.},

author = {Michal Langer and Markéta Paloncýová and Miroslav Medved' and Michal Otyepka},

doi = {10.1021/acs.jpclett.0c01873},

year  = {2020},

date = {2020-08-17},

journal = {J. Phys. Chem. Lett.},

volume = {11},

number = {19},

pages = {8252–8258},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Berka2020,

title = {Dextrans as Permeation Markers and Carriers for Oral Transmucosal Drug Delivery},

author = {Pavel Berka and Karel Berka and Pavel Doležal},

url = {http://chemicke-listy.cz/ojs3/index.php/chemicke-listy/article/view/3673},

year  = {2020},

date = {2020-08-15},

journal = {Chem Listy},

volume = {114},

number = {8},

pages = {552-558},

abstract = {Dextrans are studied as markers of oral transmucosal permeability and as possible drug carriers. The therapeutic use of dextrans is primarily limited to the intravenous route of administration. This work focuses on extending the knowledge of dextran permeation by the sublingual route. First, it is documented that non-keratinized sublingual membranes are very sensitive to heat treatment and storage conditions (more than skin membranes). Slow freezing disrupts them seriously, leading to disproportionately high permeability values, even for dextrans with a molecular weight higher than 20 kDa, which, however, may well serve as permeation markers. The dextran gyration radius reflects in vitro oral transmucosal permeability characteristics more appropriately than the pertinent molecular weight values. Macromolecular systems with a gyration radius analogous to 4 kDa dextran, possibly coupled with low molecular weight drugs, have sufficient potential for sublingual systemic drug delivery.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Šedajová2020,

title = {New Limits for Stability of Supercapacitor Electrode Material Based on Graphene Derivative.},

author = {Veronika Šedajová and Petr Jakubec and Aristides Bakandritsos and Vaclav Ranc and Michal Otyepka},

doi = {10.3390/nano10091731},

year  = {2020},

date = {2020-08-12},

journal = {Nanomaterials},

volume = {10},

number = {9},

pages = {1731},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Wychowaniec2020,

title = {Unique cellular network formation guided by heterostructures based on reduced graphene oxide - Ti3C2Tx MXene hydrogels.},

author = {Jacek Wychowaniec and Jagoda Litowczenko and Krzysztof Tadyszak and Varun Natu and Claudia Aparicio and Barbara Peplińska and Michel Barsoum and Michal Otyepka and Blazej Scheibe},

doi = {10.1016/j.actbio.2020.08.010},

year  = {2020},

date = {2020-08-11},

journal = {Acta Biomater.},

volume = {115},

pages = {104-115},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Vermisoglou2020b,

title = {Hierarchical Porous Graphene-Iron Carbide Hybrid Derived From Functionalized Graphene-Based Metal-Organic Gel as Efficient Electrochemical Dopamine Sensor.},

author = {Eleni C. Vermisoglou and Petr Jakubec and Ondřej Malina and Vojtěch Kupka and Andreas Schneemann and Roland A. Fischer and Radek Zbořil and Kolleboyina Jayaramulu and Michal Otyepka},

doi = {10.3389/fchem.2020.00544},

year  = {2020},

date = {2020-07-30},

journal = {Front. Chem.},

volume = {8},

pages = {544},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Langer2020,

title = {Tailoring Electronic and Magnetic Properties of Graphene by Phosphorus Doping.},

author = {Rostislav Langer and Piotr Blonski and Christoph Hofer and Petr Lazar and Kimmo Mustonen and Jannik C. Meyer and Toma Susi and Michal Otyepka},

url = {https://pubs.acs.org/doi/full/10.1021/acsami.0c07564},

doi = {10.1021/acsami.0c07564},

year  = {2020},

date = {2020-07-03},

journal = {ACS Appl. Mater. Interfaces},

volume = {12},

number = {30},

pages = {34074-34085},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sen2020,

title = {Thermally induced intra-molecular transformation and metalation of free-base porphyrin on Au(111) surface steered by surface confinement and ad-atoms.},

author = {Dipayan Sen and Piotr Blonski and Bruno Torre and Pavel Jelínek and Michal Otyepka},

doi = {10.1039/d0na00401d},

year  = {2020},

date = {2020-07-01},

journal = {Nanoscale Adv.},

volume = {2},

number = {7},

pages = {2986-2991},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Martincová2020,

title = {Oxidation of metallic two-dimensional transition metal dichalcogenides: 1T-MoS2 and 1T-TaS2.},

author = {Jana Martincová and Michal Otyepka and Petr Lazar},

url = {https://iopscience.iop.org/article/10.1088/2053-1583/ab9dd4/pdf},

doi = {10.1088/2053-1583/ab9dd4},

year  = {2020},

date = {2020-06-17},

journal = {2D Mater},

volume = {7},

number = {4},

pages = {045005},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Siddique2020,

title = {Conformational Behavior and Optical Properties of a Fluorophore Dimer as Model of Luminescent Centers in Carbon Dots.},

author = {Farhan Siddique and Michal Langer and Markéta Paloncýová and Miroslav Medved and Michal Otyepka and Dana Nachtigallová and Hans Lischka and Adelia J. A. Aquino},

url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c02175},

doi = {10.1021/acs.jpcc.0c02175},

year  = {2020},

date = {2020-06-03},

journal = {J. Phys. Chem. C},

volume = {124},

number = {26},

pages = {14327–14337},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Raček2020,

title = {Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges.},

author = {Tomáš Raček and Ondřej Schindler and Dominik Toušek and Vladimír Horský and Karel Berka and Jaroslav Koča and Radka Svobodová},

url = {https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gkaa367/5836772},

doi = {10.1093/nar/gkaa367},

year  = {2020},

date = {2020-05-13},

journal = {Nucleic Acids Res.},

volume = {gkaa367},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Urbanová2020,

title = {Positive and Negative Effects of Dopants toward Electrocatalytic Activity of MoS2 and WS2: Experiments and Theory.},

author = {Veronika Urbanová and Petr Lazar and Nikolas Antonatos and Zdeněk Sofer and Michal Otyepka and Martin Pumera},

url = {https://pubs.acs.org/doi/full/10.1021/acsami.0c00983},

doi = {10.1021/acsami.0c00983},

year  = {2020},

date = {2020-04-23},

journal = {ACS Appl. Mater. Interfaces},

volume = {12},

number = {18},

pages = {20383-20392},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Šponer2020,

title = {Formic acid, a ubiquitous but overlooked component of the early Earth atmosphere.},

author = {Judit E. Šponer and Elmira Mohammadi and Lukáš Petera and Homa Saeidfirozeh and Antonín Knížek and Petr Kubelík and Miroslav Krůs and Libor Juha and Svatopluk Civiš and Rémi Coulon and Ondřej Malina and Juri Ugolotti and Ranc Václav and Michal Otyepka and Jiří Šponer and Martin Ferus and Roman Dudzak},

url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202000323},

doi = {10.1002/chem.202000323},

year  = {2020},

date = {2020-04-15},

journal = {Chem. Eur. J.},

volume = {26},

number = {52},

pages = {12075-12080},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Seelajaroen2020c,

title = {Immobilized Enzymes on Graphene as Nanobiocatalyst.},

author = {Hathaichanok Seelajaroen and Aristides Bakandritsos and Michal Otyepka and Radek Zbořil and Niyazi Serdar Sariciftci},

url = {https://pubs.acs.org/doi/abs/10.1021/acsami.9b17777},

doi = {10.1021/acsami.9b17777},

year  = {2020},

date = {2020-03-30},

journal = {ACS Appl. Mater. Interfaces},

volume = {12},

number = {1},

pages = {250-259},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bouša2020,

title = {Surface Energy of Black Phosphorus Alloys with Arsenic.},

author = {Daniel Bouša and Eva Otyepková and Petr Lazar and Michal Otyepka and Zdeněk Sofer},

url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/cnma.202000143},

doi = {10.1002/cnma.202000143},

year  = {2020},

date = {2020-03-14},

journal = {ChemNanoMat},

volume = {6},

number = {5},

pages = {821-826},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Černý2020,

title = {A new approach to the structure–properties relationship evaluation for porous polymer composites.},

author = {Miroslav Černý and Josef Petruš and František Kučera and Veronika Pavliňáková and Vojtěch Kupka and Petr Poláček and Ivana Chamradová},

url = {https://link.springer.com/article/10.1007/s42452-020-2479-8},

doi = {10.1007/s42452-020-2479-8},

year  = {2020},

date = {2020-03-13},

journal = {SN Appl. Sci.},

volume = {2},

pages = {640},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Alechinsky2020,

title = {Tannic Acid Improves Renal Function Recovery after Renal Warm Ischemia–Reperfusion in a Rat Model.},

author = {Louise Alechinsky and Frederic Favreau and Petra Čechová and Sofiane Inal and Pierre-Antoine Faye and Cecile Ory and Raphaël Thuillier and Benoit Barrou and Patrick Trouillas and Jerome Guillard and Thierry Hauet},

doi = {10.3390/biom10030439},

year  = {2020},

date = {2020-03-12},

journal = {Biomolecules},

volume = {10},

number = {3},

pages = {439},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Langer2019b,

title = {Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory.},

author = {Rostislav Langer and Edvin Fako and Piotr Blonski and Miroslav Vavrečka and Aristides Bakandritsos and Michal Otyepka and Núria López},

url = {https://www.sciencedirect.com/science/article/pii/S2352940719305803?via%3Dihub#!},

doi = {10.1016/j.apmt.2019.100462},

year  = {2020},

date = {2020-03-01},

journal = {Appl. Mater. Today},

volume = {18},

pages = {100462},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Zaoralová2020,

title = {Tunable Synthesis of Nitrogen Doped Graphene from Fluorographene under Mild Conditions.},

author = {Dagmar Zaoralová and Vítězslav Hrubý and Veronika Šedajová and Radim Mach and Vojtěch Kupka and Juri Ugolotti and Aristides Bakandritsos and Miroslav Medved and Michal Otyepka},

url = {https://pubs.acs.org/doi/full/10.1021/acssuschemeng.9b07161},

doi = {10.1021/acssuschemeng.9b07161},

year  = {2020},

date = {2020-02-25},

journal = {ACS Sustainable Chem. Eng.},

volume = {8},

number = {12},

pages = {4764-4772},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Senthamarai2020,

title = {Ultra-small cobalt nanoparticles from molecularly-defined Co–salen complexes for catalytic synthesis of amines.},

author = {Thirusangumurugan Senthamarai and Vishwas G. Chandrashekhar and Manoj B. Gawande and Narayana V. Kalevaru and Radek Zbořil and Paul C. J. Kamer and Rajenahally V. Jagadeesh and Matthias Beller},

url = {https://pubs.rsc.org/en/content/articlehtml/2020/sc/c9sc04963k},

doi = {10.1039/C9SC04963K},

year  = {2020},

date = {2020-02-21},

journal = {Chem. Sci.},

volume = {11},

pages = {2973-2981},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Paloncýová2020,

title = {The Photoisomerization of DiD: Molecular Dynamics Calculations Reveal the Influence of the Tail Lengths.},

author = {Markéta Paloncýová and Johan Tornmalm and Saptaswa Sen and Joachim Piguet and Jerker Widengren and Stefan Knippenberg},

url = {https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b10322},

doi = {10.1021/acs.jpcc.9b10322},

year  = {2020},

date = {2020-02-17},

journal = {J. Phys. Chem. C},

volume = {124},

number = {10},

pages = {5829-5837},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Goswami2020,

title = {Fe(0)-embedded thermally reduced graphene oxide as efficient nanocatalyst for reduction of nitro compounds to amines.},

author = {Anandarup Goswami and Ravishankar G. Kadam and Jiří Tuček and Zdeněk Sofer and Daniel Bouša and Rajender S Varma and Manoj B. Gawande and Radek Zbořil},

doi = {10.1016/j.cej.2019.122469},

year  = {2020},

date = {2020-02-15},

journal = {Chem. Eng. J.},

volume = {382},

pages = {122469},

keywords = {},

pubstate = {published},

tppubtype = {article}

}