Hyperbranched Polyimide End-Capped with (+) or (-) – Isopinocampheylamine Used for Racemic Mixture Separation
Sysel, P.; Vychodilová, Hana; Červenková Šťastná, Lucie; Žitka, Jan; Brožová, Libuše; Randová, A.; Hovorka, Š.; Izák, Pavel
2014 - English In this work, the hyperbranched polyimides terminated with (+) or (-) – isopinocampheylamine were prepared and characterized. Their ability to separate of racemic mixtures of α-pinenes was also evaluated. Keywords: racemic mixture; polymeric membranes Available on request at various institutes of the ASCR Hyperbranched Polyimide End-Capped with (+) or (-) – Isopinocampheylamine Used for Racemic Mixture Separation

In this work, the hyperbranched polyimides terminated with (+) or (-) – isopinocampheylamine were prepared and characterized. Their ability to separate of racemic mixtures of α-pinenes was also ...

Sysel, P.; Vychodilová, Hana; Červenková Šťastná, Lucie; Žitka, Jan; Brožová, Libuše; Randová, A.; Hovorka, Š.; Izák, Pavel
Ústav chemických procesů, 2014

Selective Enantiomer Separation by Pertraction
Izák, Pavel; Kačírková, Marie; Vychodilová, Hana; Červenková Šťastná, Lucie; Žitka, Jan; Brožová, Libuše; Storch, Jan; Randová, A.; Hovorka, Š.
2014 - English Membrane processes are not commonly used in enantiomer separation due to insufficiency explication of separation mechanisms and because the results of chiral membrane separation are not quite satisfying, especially in comparison with other separation technics, namely HPLC. A new method for selective separation of enantiomers by membrane processes taking advantage of ionic liquids is present. The supported chiral room temperature ionic liquid membrane is used for separation of enantiomers. Volatile enantiomers are separated by pervaporation and non-volatile enantiomers by pertraction. Keywords: enantiomer mixture; chiral room temperature ionic liquids; pertraction Available on request at various institutes of the ASCR Selective Enantiomer Separation by Pertraction

Membrane processes are not commonly used in enantiomer separation due to insufficiency explication of separation mechanisms and because the results of chiral membrane separation are not quite ...

Izák, Pavel; Kačírková, Marie; Vychodilová, Hana; Červenková Šťastná, Lucie; Žitka, Jan; Brožová, Libuše; Storch, Jan; Randová, A.; Hovorka, Š.
Ústav chemických procesů, 2014

Comprehensive Suite of Coarse-grain Modeling Tools Formulated upon Dissipative Particle Dynamics.
Moore, J.D.; Larentzos, J.P.; Izvekov, S.; Lísal, Martin; Brennan, J.K.
2013 - English Keywords: dissipative particle dynamics; modeling tools Available at various institutes of the ASCR Comprehensive Suite of Coarse-grain Modeling Tools Formulated upon Dissipative Particle Dynamics.

Moore, J.D.; Larentzos, J.P.; Izvekov, S.; Lísal, Martin; Brennan, J.K.
Ústav chemických procesů, 2013

Exploration of 9-Bromo[7]helicene Reactivity
Žádný, Jaroslav; Jakubec, Martin; Velíšek, Petr; Sýkora, Jan; Storch, Jan
2012 - English Our new microwave assisted photodehydrocyclisation and completely reviewed synthetic approach for a multi-gram scale production of 9-bromo-[7]helicene led us to explore the reactivity of this compound mainly in Pd-catalysed reactions and to the further functionalization of this molecule. Next to other transformations, palladium catalysed carbon – heteroatom coupling reactions provide a large portfolio of racemic helicenes bearing different functional groups in good to excellent yields. Many of the reactions are performed in the microwave initiator saving reaction time to a minimum comparing with conventional and known synthetic methods. Such prepared compounds can undergo further synthetic reactions or can be used on a field of molecular electronics, surface chemistry or in other applications. The separation of racemic mixtures is under running in our lab. Optically pure compounds of such a type can open new possibilities in their use. Keywords: helicene; palladium cross-coupling; microwave synthesis Available at various institutes of the ASCR Exploration of 9-Bromo[7]helicene Reactivity

Our new microwave assisted photodehydrocyclisation and completely reviewed synthetic approach for a multi-gram scale production of 9-bromo-[7]helicene led us to explore the reactivity of this compound ...

Žádný, Jaroslav; Jakubec, Martin; Velíšek, Petr; Sýkora, Jan; Storch, Jan
Ústav chemických procesů, 2012

Preparation of Porphyrin Based HPLC Columns for the Separation of Fullerenes
Slavíček, J.; Šabata, Stanislav; Lang, Kamil; Lhoták, P.
2012 - English Keywords: fullerens; porphyrin; separation Available at various institutes of the ASCR Preparation of Porphyrin Based HPLC Columns for the Separation of Fullerenes

Slavíček, J.; Šabata, Stanislav; Lang, Kamil; Lhoták, P.
Ústav chemických procesů, 2012

Amidation of Oxidized Cellulose and Carboxymethyl Cellulose
Taubner, C.; Synytsya, A.; Sobek, Jiří; Čopíková, J.
2012 - English This paper deals with the preparation of amide derivatives of oxidized cellulose and carboxymethyl cellulose. The article compared the degree of substitution of products and purity of products. Keywords: amidation; oxidized cellulose; carboxymethyl cellulose Available at various institutes of the ASCR Amidation of Oxidized Cellulose and Carboxymethyl Cellulose

This paper deals with the preparation of amide derivatives of oxidized cellulose and carboxymethyl cellulose. The article compared the degree of substitution of products and purity of products.

Taubner, C.; Synytsya, A.; Sobek, Jiří; Čopíková, J.
Ústav chemických procesů, 2012

Thin Functional Films of TiO2 Nanoparticles
Morozová, Magdalena; Klusoň, Petr; Hejda, S.; Kment, Štěpán; Šolcová, Olga
2011 - English Magnetron Sputtering and the Modulated Hollow Cathode Plasma Jet Sputtering. As chemical method the sol-gel process carried out in the templating environment as dip-coating and piezo-jet printing was employed. The produced films differed in many structural characteristics and also in their photoelectrochemical behaviour, as the primary sought function. The produced layers were described by means of atomic force microscopy, scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet-visible spectroscopy, Raman spectroscopy, ellipsometry and profilometry. Then the films were used as electrodes in photoelectrochemical experiments. Keywords: spectroscopy; films; nanoparticles Available at various institutes of the ASCR Thin Functional Films of TiO2 Nanoparticles

Magnetron Sputtering and the Modulated Hollow Cathode Plasma Jet Sputtering. As chemical method the sol-gel process carried out in the templating environment as dip-coating and piezo-jet printing was ...

Morozová, Magdalena; Klusoň, Petr; Hejda, S.; Kment, Štěpán; Šolcová, Olga
Ústav chemických procesů, 2011

Titania Supported Co-Mn-Al Catalysts in Total Oxidation of Ethanol
Ludvíková, Jana; Jirátová, Květa; Klempa, Jan
2011 - English In pelletized mixed oxide catalysts prepared by calcination of coprecipitated precursors, a considerable part of the pellets is not utilized in case of very fast catalytic reaction, due to the effect of internal and external diffusion. Therefore, deposition of thin active layer on a supporting material is advantageous. In this contribution, the effect of the support (titania grains and extrudates) on properties and catalytic activity in VOC oxidation of both catalyst geometric forms were examined. Keywords: mixed oxide catalysts; voc oxidation; titania Available at various institutes of the ASCR Titania Supported Co-Mn-Al Catalysts in Total Oxidation of Ethanol

In pelletized mixed oxide catalysts prepared by calcination of coprecipitated precursors, a considerable part of the pellets is not utilized in case of very fast catalytic reaction, due to the effect ...

Ludvíková, Jana; Jirátová, Květa; Klempa, Jan
Ústav chemických procesů, 2011

Bond Indices in Solids. A Numerical Approach to Analytical Model
Ponec, Robert; Kohout, M.
2011 - English To overcome this problem we proposed as a feasible alternative the numerical calculations using the explicit summation over N/2 of low energy states. Such an approach gives for the index between nearest neighbour atoms the value 0.111, which well agrees with the exact value 0.12 reported in the study. This result is very important as it demonstrates that the numerical remedy of the problems with the specification of integration domains does indeed represents a feasible strategy for the calculation of bond indices in solids and examples of the applications to other types of unit cells will be discussed. Keywords: chemical bond; bond indices; solids Available at various institutes of the ASCR Bond Indices in Solids. A Numerical Approach to Analytical Model

To overcome this problem we proposed as a feasible alternative the numerical calculations using the explicit summation over N/2 of low energy states. Such an approach gives for the index between ...

Ponec, Robert; Kohout, M.
Ústav chemických procesů, 2011

Electronic Structure of Ni(0) Complexes Containing Ligands with Cumulative Double Bonds
Barcs, B.; Kollár, L.; Ponec, Robert; Kégl, T.
2011 - English In our previous study the electronic structure of the Ni(0) complex Ni(PH3)2(η2-CO2) (Figure 1) was elucidated within the framework of density functional theory by means of using domain-averaged Fermi hole (DAFH), quantum theory of atoms in molecules (QTAIM), electron localization function (ELF), charge decomposition analysis (CDA), and natural bond orbital (NBO) methods 8. It was shown, that the carbon dioxide ligand exhibits an unusual coordination behavior due to the highly polarized nature of the O=C bond. According to QTAIM and ELF analyses neither bond path nor V(C,O1) basin was found between Ni and O1. The back-donation from metal to carbon dioxide ligand is influenced by a direct charge transfer from phosphorus to carbon as it was revealed by DAFH and NBO studies. Keywords: Ni(0) complexes; nature of bonding Available at various institutes of the ASCR Electronic Structure of Ni(0) Complexes Containing Ligands with Cumulative Double Bonds

In our previous study the electronic structure of the Ni(0) complex Ni(PH3)2(η2-CO2) (Figure 1) was elucidated within the framework of density functional theory by means of using domain-averaged Fermi ...

Barcs, B.; Kollár, L.; Ponec, Robert; Kégl, T.
Ústav chemických procesů, 2011