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Faculty of Science

Department of Chemistry

About the site People Statistics Publications Projects Teaching Methodology

Total number of titles in2013:48

129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent

STANDARA, Stanislav - KULHÁNEK, Petr - MAREK, Radek - STRAKA, Michal.
129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent. J Comput Chem. ISSN 1096-987X, 2013.

A Photo-Favorskii Ring Contraction Reaction: The Effect of Ring Size

KAMMATH, Viju Balachandran - ŠOLOMEK, Tomáš - NGOY, Bokolombe Pitchou - HEGER, Dominik - KLÁN, Petr - RUBINA, Marina - GIVENS, Richard.
A Photo-Favorskii Ring Contraction Reaction: The Effect of Ring Size. Journal of Organic Chemistry, Columbus, OH, USA, the American Chemical Society, USA. ISSN 0022-3263, 2013, vol. 78, no. 5, 1718–1729-12 pp.

A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes

VÍCHA, Jan - PATZSCHKE, Michael - MAREK, Radek.
A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes. Physical Chemistry Chemical Physics, , Royal Society of Chemistry, Great Britain. ISSN 1463-9076, 2013, vol. 15, no. 20, pp. 7740-7754.

Adamantane-bearing benzylamines and benzylamides: novel building blocks for supramolecular systems with finely tuned binding properties towards beta-cyclodextrin

ROUCHAL, Michal - MATELOVÁ, Alena - CARVALHO, Fabiana Pires de - BERNAT, Robert - GRBIĆ, Dragan - KUŘITKA, Ivo - BABINSKÝ, Martin - MAREK, Radek - ČMELÍK, Richard - VÍCHA, Robert.
Adamantane-bearing benzylamines and benzylamides: novel building blocks for supramolecular systems with finely tuned binding properties towards beta-cyclodextrin. Supramolecular Chemistry, USA, Taylor & Francis, USA. ISSN 1061-0278, 2013, vol. 25, no. 2013, pp. 999-1012.

Analysis of the Formation Process of Gold Nanoparticles by Surface-Assisted Laser Desorption/Ionization Mass Spectrometry

TOMALOVÁ, Iva - LEE, Chia-Hsin - CHEN, Wen-Tsen - CHIANG, Cheng-Kang - CHANG, Huan-Tsung - PREISLER, Jan.
Analysis of the Formation Process of Gold Nanoparticles by Surface-Assisted Laser Desorption/Ionization Mass Spectrometry. Journal of The American Society for Mass Spectrometry, NEW YORK, Springer-Verlag, USA. ISSN 1044-0305, 2013, vol. 24, no. 2, pp. 305-308.

Apoptosis in chronic myeloid leukemia cells transiently treated with imatinib or dasatinib is caused by residual BCR-ABL kinase inhibition.

ŠIMARA, Pavel - STEJSKAL, Stanislav - KRONTORÁD KOUTNÁ, Irena - POTĚŠIL, David - TESAŘOVÁ, Lenka - POTĚŠILOVÁ, Michaela - ZDRÁHAL, Zbyněk - MAYER, Jiří.
Apoptosis in chronic myeloid leukemia cells transiently treated with imatinib or dasatinib is caused by residual BCR-ABL kinase inhibition. American Journal of Hematology. ISSN 1096-8652, 2013, vol. Neuveden, no. Neuveden, Neuveden-9 pp.

Artificial neural networks in medical diagnosis

AMATO, Filippo - LÓPEZ RODRÍGUEZ, Alberto - PENA-MÉNDEZ, Eladia María - VAŇHARA, Petr - HAMPL, Aleš - HAVEL, Josef.
Artificial neural networks in medical diagnosis. Journal of Applied Biomedicine, , University of South Bohemia. ISSN 1214-0287, 2013, vol. 11, no. 2, pp. 47-58.

Atlas minerálů (in Czech)

VÁVRA, Václav - ŠTELCL, Jindřich - LOSOS, Zdeněk.
Atlas minerálů. 2013.

Bioinformatics and Molecular Dynamics Simulation Study of L1 Stalk Non-Canonical rRNA Elements: Kink-turns, Loops, and Tetraloops

KREPL, Miroslav - RÉBLOVÁ, Kamila - KOČA, Jaroslav - ŠPONER, Jiří.
Bioinformatics and Molecular Dynamics Simulation Study of L1 Stalk Non-Canonical rRNA Elements: Kink-turns, Loops, and Tetraloops. JOURNAL OF PHYSICAL CHEMISTRY B, Washington, American Chemical Society, USA. ISSN 1520-6106, 2013.

Comparative Voltammetric Analysis of Adenine and Xanthine on a Pencil Graphite Electrode in the Presence of Copper Ions

NAVRÁTIL, Rudolf - PILAŘOVÁ, Iveta - JELEN, František - TRNKOVÁ, Libuše.
Comparative Voltammetric Analysis of Adenine and Xanthine on a Pencil Graphite Electrode in the Presence of Copper Ions. Int. J. Electrochem. Sci., , , Serbia. ISSN 1452-3981, 2013, vol. 8, no. 4, pp. 4397-4408.

Debromination of 2,4,6-tribromophenol coupled with biodegradation

WEIDLICH, Tomáš - PROKEŠ, Lubomír - POSPÍŠILOVÁ, Dagmar.
Debromination of 2,4,6-tribromophenol coupled with biodegradation. Central European Journal of Chemistry, , Versita, Springer-Verlag, Germany. ISSN 1895-1066, 2013, vol. 11, no. 6, pp. 979-987.

Determination of antibiotics (tetracyclines and sulfonamides) in biosolids by pressurized liquid extraction and liquid chromatography-tandem mass spectrometry

PAMREDDY, Annapurna - HIDALGO, Manuela - HAVEL, Josef - VICTORIA, Salvadó.
Determination of antibiotics (tetracyclines and sulfonamides) in biosolids by pressurized liquid extraction and liquid chromatography-tandem mass spectrometry. Journal of Chromatography A. 2013.

Development and validation of a general appoach to predict and quantify the synergism of anti-cancer drugs using experimental design and artificial neural networks

PIVETTA, Tiziana - ISAIA, Francesco - TRUDU, Federica - PANI, Alessandra - MANCA, Matteo - PERRA, Daniela - AMATO, Filippo - HAVEL, Josef.
Development and validation of a general appoach to predict and quantify the synergism of anti-cancer drugs using experimental design and artificial neural networks. Talanta, , Elsevier, The Nederlands. ISSN 0039-9140, 2013, vol. 2013, no. 2013, pp. in press-in press.

Diode laser thermal vaporization inductively coupled plasma mass spectrometry for analysis of biological microsamples

FOLTYNOVÁ, Pavla - KANICKÝ, Viktor - PREISLER, Jan.
Diode laser thermal vaporization inductively coupled plasma mass spectrometry for analysis of biological microsamples. 2013.

Does external wind impact the speleothem growth in cave?

LANG, Marek - FAIMON, Jiří.
Does external wind impact the speleothem growth in cave?. 2013.

Effects of Crystal Packing on NMR Chemical Shift Tensors : Interpretation and Visualization

BABINSKÝ, Martin - BOUZKOVÁ, Kateřina - NOVOSADOVÁ, Lucie - PIPÍŠKA, Matej - MAREK, Radek.
Effects of Crystal Packing on NMR Chemical Shift Tensors : Interpretation and Visualization. 2013.

Elemental mapping in fossil tooth root section of Ursus arctos by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS)

VAŠINOVÁ GALIOVÁ, Michaela - NÝVLTOVÁ FIŠÁKOVÁ, Miriam - KYNICKÝ, Jindřich - PROKEŠ, Lubomír - NEFF, Hector - MASON, Andrew Zed - GADAS, Petr - KOŠLER, Jan - KANICKÝ, Viktor.
Elemental mapping in fossil tooth root section of Ursus arctos by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). Talanta, , Elsevier, The Nederlands. ISSN 0039-9140, 2013, vol. 105, pp. 235-243.

Fast sampling mode for MALDI TOF mass spectrometry imaging using scanning desorption laser beam

BEDNAŘÍK, Antonín - KUBA, Pavel - HOUŠKA, Pavel - MOSKOVETS, Eugene - TOMALOVÁ, Iva - KRÁSENSKÝ, Pavel - PREISLER, Jan.
Fast sampling mode for MALDI TOF mass spectrometry imaging using scanning desorption laser beam. 2013.

Ferrous iron oxidation by sulfur-oxidizing Acidithiobacillus ferrooxidans and analysis of the process at the levels of transcription and protein synthesis

KUČERA, Jiří - BOUCHAL, Pavel - LOCHMAN, Jan - POTĚŠIL, David - JANICZEK, Oldřich - ZDRÁHAL, Zbyněk - MANDL, Martin.
Ferrous iron oxidation by sulfur-oxidizing Acidithiobacillus ferrooxidans and analysis of the process at the levels of transcription and protein synthesis. Antonie van Leeuwenhoek International Journal of General and Molecular Microbiology, Dordrecht, Springer, The Nederlands. ISSN 0003-6072, 2013, vol. 103, no. 4, pp. 905-919.

Fluorescein Analogues as Photoremovable Protecting Groups Absorbing at 520 nm

ŠEBEJ, Peter - WINTNER, Jürgen - MÜLLER, Pavel - SLANINA, Tomáš - AL ANSHORI, Jamaludin - ANGEL P. A., Lovely - KLÁN, Petr - WIRZ, Jakob.
Fluorescein Analogues as Photoremovable Protecting Groups Absorbing at 520 nm. Journal of Organic Chemistry, Columbus, OH, USA, the American Chemical Society, USA. ISSN 0022-3263, 2013, vol. 78, no. 5, 1833–1843-11 pp.

Homoallenyl azines in criss-cross cycloaddition reactions

GALETA, Juraj - MAN, Stanislav - VALOUŠKOVÁ, Aneta - POTÁČEK, Milan.
Homoallenyl azines in criss-cross cycloaddition reactions. Monatshefte fur Chemie, Austria, Springer-Verlag, Austria. ISSN 0026-9247, 2013, vol. 144, no. 2, pp. 205-216.

Hydrodebromination of 2,4,6-tribromophenol in aqueous solution using Devarda’s alloy

WEIDLICH, Tomáš - KREJČOVÁ, Anna - PROKEŠ, Lubomír.
Hydrodebromination of 2,4,6-tribromophenol in aqueous solution using Devarda’s alloy. Monatshefte fuer Chemie, Chemical Monthly, Wien, Springer-Verlag. ISSN 0026-9247, 2013, vol. 144, no. 2, pp. 155-162.

Hypothetical soil/epikarstic PCO2 derived from dripwater composition (Punkva Caves, Moravian Karst)

PRACNÝ, Pavel - FAIMON, Jiří.
Hypothetical soil/epikarstic PCO2 derived from dripwater composition (Punkva Caves, Moravian Karst). 2013.

CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue

KOZMON, Stanislav - MATUŠKA, Radek - KOČA, Jaroslav.
CH-pi Interaction between Carbohydrates and Aromatic Moieties: Electron Density Issue. 2013.

Interpretation of Crystal Effects on NMR Chemical Shift Tensors: Electron and Shielding Deformation Densities

BABINSKÝ, Martin - BOUZKOVÁ, Kateřina - PIPÍŠKA, Matej - NOVOSADOVÁ, Lucie - MAREK, Radek.
Interpretation of Crystal Effects on NMR Chemical Shift Tensors: Electron and Shielding Deformation Densities. The Journal of Physical Chemistry A, , American Chemical Society, USA. ISSN 1089-5639, 2013, vol. 117, no. 2, pp. 497-503.

Laser desorption ionisation quadrupole ion trap time-of-flight mass spectrometry of titanium-carbon thin films

AMATO, Filippo - PANYALA, Nagender Reddy - VAŠINA, Petr - SOUČEK, Pavel - HAVEL, Josef.
Laser desorption ionisation quadrupole ion trap time-of-flight mass spectrometry of titanium-carbon thin films. Rapid Communications in Mass Spectrometry. ISSN 1097-0231, 2013, vol. 27/2013, no. 11/2013, pp. 1-7.

Luminescent Sensor for Carbonate Ion Based on Lanthanide (III) Complexes of 1,4,7,10-Tetraazacyclododecane-1, 4,7-Triacetic Acid (DO3A)

VANĚK, Jakub - LUBAL, Přemysl - HERMANN, Petr - ANZENBACHER JR., Pavel.
Luminescent Sensor for Carbonate Ion Based on Lanthanide (III) Complexes of 1,4,7,10-Tetraazacyclododecane-1, 4,7-Triacetic Acid (DO3A). Journal of fluorescence, , Springer, Germany. ISSN 1053-0509, 2013, vol. 23, no. 1, pp. 57-69.

Mechanical properties of nano-silver – copper solder joints

PEŠINA, Zbyněk - PALCUT, Marian - SOPOUŠEK, Jiří.
Mechanical properties of nano-silver – copper solder joints. 2013.

Modulation of spin-orbit induced NMR shielding by trans-effect in iridium complexes

VÍCHA, Jan - MUNZAROVÁ, Markéta - STRAKA, Michal - MAREK, Radek.
Modulation of spin-orbit induced NMR shielding by trans-effect in iridium complexes. 2013.

Nádorová onemocnění jako závažný celospolečenský problém (in Czech)

KIZEK, René - MASAŘÍK, Michal - GUMULEC, Jaromír - ADAM, Vojtěch - TRNKOVÁ, Libuše - HUBÁLEK, Jaromír - ECKSCHLAGER, Tomáš.
Nádorová onemocnění jako závažný celospolečenský problém. 2013.

New Laser Desorption Sample Introduction Techniques for Inductively Coupled Plasma Mass Spectrometry

PREISLER, Jan - FOLTYNOVÁ, Pavla - KANICKÝ, Viktor - TOMALOVÁ, Iva - VACULOVIČ, Tomáš.
New Laser Desorption Sample Introduction Techniques for Inductively Coupled Plasma Mass Spectrometry. 2013.

New PAH derivatives functionalized by cyclic nitrone framework: Synthetic design, anti-proliferative activity and interaction with DNA

BUCHLOVIČ, Marian - KŘÍŽ, Zdeněk - HOFR, Ctirad - POTÁČEK, Milan.
New PAH derivatives functionalized by cyclic nitrone framework: Synthetic design, anti-proliferative activity and interaction with DNA. Bioorganic & Medicinal Chemistry, , Elsevier, Great Britain. ISSN 0968-0896, 2013, vol. 2013, no. 21, pp. 1078-1081.

Off-line MALDI and ICP MS detection of a single record of metallothionein separation

TOMALOVÁ, Iva - POLANSKÝ, Ondřej - FOLTYNOVÁ, Pavla - MILLIONOVÁ, Radka - PREISLER, Jan.
Off-line MALDI and ICP MS detection of a single record of metallothionein separation. 2013.

Origin of the Conformational Modulation of the 13C NMR Chemical Shift of Methoxy Groups in Aromatic Natural Compounds

TOUŠEK, Jaromír - STRAKA, Michal - SKLENÁŘ, Vladimír - MAREK, Radek.
Origin of the Conformational Modulation of the 13C NMR Chemical Shift of Methoxy Groups in Aromatic Natural Compounds. The Journal of Physical Chemistry A, , American Chemical Society, USA. ISSN 1089-5639, 2013, vol. 117, no. 3, pp. 661-669.

Phase transformations in Higher Manganese Silicides

ALLAM, Ali - BOULET, Pascal - NUNES, Carlos Angelo - SOPOUŠEK, Jiří - BROŽ, Pavel - RECORD, Marie-Christine.
Phase transformations in Higher Manganese Silicides. Journal of Alloys and Compounds, , Elsevier, The Nederlands. ISSN 0925-8388, 2013, vol. 551, no. neuveden, pp. 30-36.

Proteome Analysis in Arabidopsis Reveals Shoot- and Root-Specific Targets of Cytokinin Action and Differential Regulation of Hormonal Homeostasis

ŽĎÁRSKÁ, Markéta - ZATLOUKALOVÁ, Pavlína - BENITEZ KEINRAD, Mariana - ŠEDO, Ondrej - POTĚŠIL, David - NOVÁK, Ondřej - SVAČINOVÁ, Jana - PEŠEK, Bedřich - MALBECK, Jiří - VAŠÍČKOVÁ, Jana - ZDRÁHAL, Zbyněk - HEJÁTKO, Jan.
Proteome Analysis in Arabidopsis Reveals Shoot- and Root-Specific Targets of Cytokinin Action and Differential Regulation of Hormonal Homeostasis. Plant Physiology, USA, American Society of Plant Physiologists, USA. ISSN 0032-0889, 2013, vol. 161, no. 2, pp. 918-930.

Provenance study of volcanic glass using 266-1064 nm orthogonal double pulse laser induced breakdown spectroscopy

HRDLIČKA, Aleš - PROKEŠ, Lubomír - VAŠINOVÁ GALIOVÁ, Michaela - NOVOTNÝ, Karel - VITEŠNÍKOVÁ, Anna - HELEŠICOVÁ, Tereza - KANICKÝ, Viktor.
Provenance study of volcanic glass using 266-1064 nm orthogonal double pulse laser induced breakdown spectroscopy. Chemical Papers, , Versita, Great Britain. ISSN 0366-6352, 2013, vol. 67/2013, no. 5, pp. 546-555.

Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines

BRAHMKSHATRIYA, Pathik S. - DOBEŠ, Petr - FANFRLÍK, Jindřich - ŘEZÁČ, Jan - PARUCH, Kamil - BRONOWSKA, Agnieszka - LEPŠÍK, Martin - HOBZA, Pavel.
Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines. Current Computer-Aided Drug Design, , Bentham Science Publishers, United Arab Emirates. ISSN 1573-4099, 2013, vol. 9, no. 1, pp. 118-129.

Relativistic NMR shielding effects in heavy element complexes

VÍCHA, Jan.
Relativistic NMR shielding effects in heavy element complexes. 2013.

ReviewPhotoremovable Protecting Groups in Chemistry and Biology: Reaction Mechanisms and Efficacy

KLÁN, Petr - ŠOLOMEK, Tomáš - BOCHET, Christian G. - BLANC, Aurélien - GIVENS, Richard - RUBINA, Marina - POPIK, Vladimir - KOSTIKOV, Alexey - WIRZ, Jakob.
ReviewPhotoremovable Protecting Groups in Chemistry and Biology: Reaction Mechanisms and Efficacy. Chemical Reviews, Baltimore, American Chemical Society, USA. ISSN 0009-2665, 2013, vol. 113, no. 1, 119–191-73 pp.

Substituted homoallenyl aldehydes and their derivatives. Part 1: Homoallenyl aldehydes and protected hydrazones

GALETA, Juraj - MAN, Stanislav - POTÁČEK, Milan.
Substituted homoallenyl aldehydes and their derivatives. Part 1: Homoallenyl aldehydes and protected hydrazones. Chemical Papers, , , Slovakia. ISSN 0366-6352, 2013, vol. 67, no. 1, pp. 29-39.

Substituted homoallenyl aldehydes and their derivatives. Part 2: Azines

GALETA, Juraj - MAN, Stanislav - VALOUŠKOVÁ, Aneta - POTÁČEK, Milan.
Substituted homoallenyl aldehydes and their derivatives. Part 2: Azines. Chemical Papers, , , Slovakia. ISSN 0366-6352, 2013, vol. 67, no. 1, pp. 40-50.

Terénní prospekce povodí říčky Únanovky/Těšetičky, okr. Znojmo (in Czech)

KUČA, Martin - BARTÍK, Jaroslav - MATOUŠEK, Jakub - KOVÁŘ, Josef Jan - PROKEŠ, Lubomír - ČEREVKOVÁ, Alžběta - ŠTOHANDLOVÁ, Jitka - KROLLOVÁ, Soňa - KOSTIHOVÁ, Barbora - NIKOLAJEV, Pavel.
Terénní prospekce povodí říčky Únanovky/Těšetičky, okr. Znojmo. 2013.

The impact of coniferous forest soils on karst processes

JABŮRKOVÁ, Marika - FAIMON, Jiří.
The impact of coniferous forest soils on karst processes. 2013.

The power is in detail - Structural analysis of an Aleuria aurantia lectin mutant

HOUSER, Josef - MATUŠKA, Radek - KOZMON, Stanislav - ROMANO, Patric - KOČA, Jaroslav - WIMMEROVÁ, Michaela.
The power is in detail - Structural analysis of an Aleuria aurantia lectin mutant. 2013.

The system Ta–V–Si: Thermodynamic modeling

BROŽ, Pavel - KHAN, Atta Ullah - NIU, Haiyang Y. - CHEN, Xing Qiu - LI, Dianzhong - VŘEŠŤÁL, Jan - BURŠÍK, Jiří - ROGL, Peter Franz.
The system Ta–V–Si: Thermodynamic modeling. Journal of Solid State Chemistry, , Elsevier, The Nederlands. ISSN 0022-4596, 2013, vol. 199, no. neuveden, pp. 171-180.

Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations

PŘECECHTĚLOVÁ, Jana - MUNZAROVÁ, Markéta - VAARA, Juha - NOVOTNÝ, Jan - DRAČÍNSKÝ, Martin - SKLENÁŘ, Vladimír.
Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations. Journal of Chemical Theory and Computation, WASHINGTON, AMER CHEMICAL SOC, USA. ISSN 1549-9618, 2013, vol. 9, no. 3, pp. 1641-1656.

Vztah proměn společnosti a klimatu v moravském neolitu (in Czech)

KUČA, Martin - KOVÁŘ, Josef Jan - NÝVLTOVÁ FISÁKOVÁ, Miriam - ŠKRDLA, Petr - PROKEŠ, Lubomír - VAŠKOVÝCH, Miroslav - SCHENK, Zdeněk.
Vztah proměn společnosti a klimatu v moravském neolitu. 2013.

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