Národní úložiště šedé literatury Nalezeno 4 záznamů.  Hledání trvalo 0.01 vteřin. 
Mathematical method for submolecular resolution of helicene-based macrocycles by atomic force microscopy in air
Ukraintsev, Egor ; Houska, Václav ; Vacek, Jaroslav ; Starý, Ivo ; Stará, Irena G. ; Rezek, B.
We introduce a straightforward mathematical method for improving the AFM image resolution, applied to image analysis of helicene-based macrocycles adsorbed on HOPG. The method reveals structural details from insufficiently resolved AFM images and attributes them to internal structure and ordering of the macrocycles. Our findings are also corroborated by molecular mechanics simulations, validating that the structure provided by the method has lower potential energy compared to other tested macrocycle arrangements.
Investigation of acid-based properties of mono- and diaza[5]helicenes by non-aqueous capillary electrophoresis and quantum chemical calculations
Šolínová, Veronika ; Štěpánová, Sille ; Jančařík, Andrej ; Klívar, Jiří ; Šámal, Michal ; Stará, Irena G. ; Vacek Chocholoušová, Jana ; Vacek, Jaroslav ; Starý, Ivo ; Kašička, Václav
Non-aqueous capillary electrophoresis (NACE) using methanol (MeOH) as a solvent of the background electrolytes was used to determine the thermodynamic acidity (ionization) constants (pKa) of a series of monoaza[5]helicenes and diaza[5]helicenes protonated to the first degree in MeOH and water. Depending on the number and position of the nitrogen atoms in their molecules, the analyzed aza[5]helicenes were found to be weak to moderate bases with methanolic pKa,MeOH in the range 3.90-8.75 and with aqueous pKa,H2O in the range 3.53-8.28.

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7 Stará, Iveta
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