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[platne_od] => 31.10.2023 17:11:00
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[zmeneno_uzivatel_jmeno] => Jan Kříž
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FCT Dean’s Office,
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Department of International Relations,
Bursar
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Department of Economics and Management,
Department of Mathematics
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[paticka_adresa] => UCT Prague Technická 5 166 28 Prague 6 – Dejvice IČO: 60461373 / VAT: CZ60461373
Czech Post certified digital mail code: sp4j9ch
Copyright: UCT Prague 2015 Information provided by the Department of International Relations and the Department of R&D. Technical support by the Computing Centre.
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[nazev] => Department of Solid State Chemistry
[seo_title] => Department of Solid State Chemistry
[seo_desc] =>
[autor] =>
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[obsah] =>
Department of Solid State Chemistry is focused on materials, methods (X-ray diffraction analysis), and industry applications. A wide choice of Bc., MSc., and Ph.D. programs comprises chemistry and technology of inorganic materials, X-ray diffraction analysis for the pharmaceutical industry, and heavy metal migration in the environment.
The research work of the department deals with two basic topics:
Application of X-ray diffraction methods in pharmaceutical industry, research, production, and quality check
Applied mineralogy
History of Department
The staff of the Department follows the tradition of the former Department of Mineralogy. Professor F. X. M. Zippe has established mineralogical collections in 1835, which were later enriched and perfected by Professor A. Ondřej (1887-1956). The mineralogical collections are the well-known treasure of the institute. The X-ray diffraction methods were introduced to our department in 1945 and have remained the prime analytical method of our department.
Cooperation
The Department has an official cooperation with the company Teva Czech Industries s. r. o. since 1991.
Department of Solid State Chemistry is focused on materials, methodics (X-ray diffraction analysis) and industry applications. A wide choice of Bc., MSc., and Ph.D. programs comprises: chemistry and technology of inorganic materials, X-ray diffraction analysis for pharmaceutical industry and heavy metal migration in the environment.
The research work of the department deals with three topics:
Application of X-ray diffraction methods in pharmaceutical industry, research, production and quality check
Applied mineralogy
Migration of heavy metals in the environment
History of department
Staff of the Department follows the tradition of the former Department of Mineralogy. Professor F. X. M. Zippe has established mineralogical collections in 1835, which were later enriched and perfected by Professor A. Ondřej (1887-1956). The mineralogical collections are the well-known treasure of the institute. The X-ray diffraction methods were introduced to our department in 1945 and have remained the prime analytical method of our department.
Mineralogical collections at the Prague Institute of Chemical Technology belong to the oldest and best organized university collections. They are internationally registered in a list of world-known collections in Europe.
The first mineralogical collections was created by professor F. X. M. Zippe for pedagogic purposes of the Technical College in Prague in the year 1835. The basis of this collection has enlarged professor Jan Krejci, whose detailed catalogue of minerals issued in the year 1899 has been preserved till the present days. After the first world war the head of the Mineralogy Department was professor Augustin Ondrej. He made his life goal to finish and shape the mineralogical collections in such form which would well serve also to the next generation as a basis of science and pedagogic work. Purchases, donations, collecting expeditions and numerous exchanges have increased the collection from 2 102 to 23 861 inventory numbers. This was also the last entry of professor Ondrej, who passed away on 22 nd July 1956. His successor professor Jan Kaspar visited his life-time perhaps all continents of the world, studying minerals and their deposites. He collected minerals in all countries he visited.
Organization of collections
In the present form the mineralogical collections cover several units. In the first place is the systematic collection which is located in the main large collection hall. In an adjacent smaller room there is the collection of decorative and gem stones. Supplementary collections are located in the corridor in front of the main hall. They include crystalographical, terminological and petrographical collections and further the collections of industrial and technical raw materials. In the so called small collection hall geaochemical and genetic collectioons of minerals are installed. Here are also exhibited collections of meteorites and tektites.
Visiting of the collections
You can visit our mineralogical collections as follows:
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[nazev] => Application of X-ray diffraction methods in pharma industry
[seo_title] => Application of X-ray diffraction methods in pharmaceutical research, development, production and control
[seo_desc] =>
[autor] =>
[autor_email] =>
[obsah] =>
doc. Dr. Ing. Michal Hušák Ing. Jan Rohlíček, Ph.D.
Team description:
X-ray single-crystal diffraction and pharmaceutical screening
The group is engaged in the application of X-ray structural and phase analysis in pharmaceutical research, development, production and control. It is equipped with a modern X-ray single-crystal diffractometer (bought within the KvaLab program), Bruker D8 Venture with two Incoatec microfocus Mo and Cu sources, a Photon 100 detector (Figure 1) and an older Xcalibur PX diffractometer (Figure 2).
The group has access to X-ray powder diffractometers (Bruker AXS, Philips X'Pert), in collaboration with the UCT Prague Central Laboratories – the X-ray Diffractometry Laboratory (Dr. Jaroslav Maixner). The research group cooperates with several pharmaceutical manufacturers in the Czech Republic (Teva Czech Industries Ltd., Zentiva LP etc.).
Fig. 1.: Bruker D8 Venture Fig. 1.: Xcalibur PX
The group deals with the monitoring of polymorphism of active pharmaceutical substances by X-ray diffraction analysis and development of this methodology (newly: solution of crystalline structures of substances from X-ray powder diffraction data). The results of the studies are applied for molecular packing of polymorphs, for the research of the flexibility/rigidity of biologically active molecules, for the modeling of cavities in crystalline structures of substances and for their filling with solvent molecules, the development of specialized crystallographic software, the modeling of interactions of some substances with the receptors, in selected crystallizations, and microscopic observations.
Active pharmaceutical ingredient - API screening
Wide range of methods is used for the screening of new API forms, including crystalization from solution, slurry experiments, melt crystallization, post milling, sublimation (vapour deposition) and robotic screening.
Rtg. difrakce práškových materiálů, teoretické výpočty krystalové struktury
Structure solution of ixazomib and selexipag from powder diffraction data
We had successfully solved structures of 3 important pharmaceutical phases from data measured at European synchrotron radiation source (Grenoble). The mentioned phases are 2 modifications of ixazomib and crystal structure of selexipag. The solved structures complexity is on the edge of the used methodology.
Verification of crystal structure solution results based on DFT calculations
We work on method for verification of crystal structures solution based on the DFT calculation usage. The tested method is based on comparison between the experimental crystal structure and theoretical structure obtained as the result of lattice energy minimization. We are able to distinguish in this way e.g. cocrystal and salts or detect incorrectly solved structures. The calculation require extreme computation power - we use the national supercomputer Salomon (IT4innovations, Ostrava).
Nievergelt, P. P.; Babor, M.; Cejka, J.; Spingler, B. A high throughput screening method for the nano-crystallization of salts of organic cations.Chemical Science20189(15), 3716-3722.
Dolensky, B.; Kessler, J.; Jakubek, M.; Havlik, M.; Cejka, J.; Novotna, J.; Kral, V., Synthesis and characterisation of a new naphthalene tris-Troger's base derivative-a chiral molecular clip.Tetrahedron Letters2013,54, 308-311.
Skorepova, E.; Cejka, J.; Husak, M.; Eigner, V.; Rohlicek, J.; Sturc, A.; Kratochvil, B., Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder.Crystal Growth & Design2013,13, 5193-5203.
Urbanova, M.; Sturcova, A.; Brus, J.; Benes, H.; Skorepova, E.; Kratochvil, B.; Cejka, J.; Sedenkova, I.; Kobera, L.; Policianova, O.; Sturc, A., Characterizing crystal disorder of trospium chloride: A comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD study.Journal of Pharmaceutical Sciences2013,102, 1235-1248.
Skorepova, E.; Husak, M.; Cejka, J.; Zamostny, P.; Kratochvil, B., Increasing dissolution of trospium chloride by co-crystallization with urea.Journal of Crystal Growth2014,399, 19-26.
Pazout R., Maixner., Dusek M., Kratochvil B.: A new polymorph of succinylcholinium diiodide: comparison of succinylcholinium structures. Acta Crystallogr C 67 (2011), O391-O393.
Kratochvil B., Koupilova I.: Pharmaceutical amorphous hydrates.Chem Listy 105(2011), 3-7.
Kratochvil B.: Solid forms of pharmaceutical molecules. In: Glassy, amorphous and disordered materials: thermal physics, analysis, structure and properties. (Jaroslav Sestak, Jiri J. Mares and Pavel Hubik Eds.). Springer Verlag.
Okavoca L., Vetchy D., Franc A., Rabiskova M., Kratochvil B.: Increasing bioavailability of poorly water-soluble drugs by their modification.Chem Listy 104(2010), 21-26.
Kratochvil B., Husak M., Brynda J. et al.: What Can the Current X-Ray Structure Analysis Offer?Chem listy 102(2008), 889-901.
Hajkova M., Kratochvil B., Radl S.: Atorvastatin - the world´s best selling drug.Chem Listy 102(2008), 3-14.
Kratochvil B.: Crystallization of Pharmaceutical Substances.Chem listy 101(2007), 3-12.
Jegorov A., Petrickova H., Kratochvil B., Cisarova I.: An unusual cis-dichloro[17-(cyclobutylmethyl)3-methoxymorphinan-14-ol- N,O] palladium(II) complex.Collect Czech Chem C 71(2006), 434-442.
Chudik M., Jegorov A., Petrickova H., Kratochvil B., Cisarova I.: Crystal structure of 3-benzoylmorphin-6-one-17-carboxamide ethanol solvate (1 : 0.333), C24H20N2O5 center dot 0.333C(2)H(5)OH.Z Krist-New Cryst St 220(2005), 348-350.
Kratochvil B.: Crystal lattice - What with it?Chem Listy 99(2005), 258-259.
Kratochvil B., Belohlav Z.: Involvement of Institute of Chemical Technology Prague in the research and manufacturing of pharmaceuticals.Chem Listy 98(2004), 1140-1142.
Kratochvil B., Husak M., Jegorov A.: Polymorphism and solvatomorphism of solid substances in pharmacy.Chem listy 96(2002), 330-335.
Kamenicek J., Valach F., Kratochvil B., Zak Z.: Syntheses and structure of Ni(III) complexes with 1-toluene-3,4-dithiole. Bond-valence approach to the oxidation state of the central atom.Pol J Chem 76(2002), 483-490.
Krarochvil B., Husak M., Jegorov A.: Conformational flexibility of cyclosporins.Chem Listy 95(2001), 9-17.
Pohl R., Sykora J., Malon P., Bohm S., Kratochvil B., Kuthan J.: Sterically crowded heterocycles. XIII. An insight into the absolute stereochemistry of atropisomeric (Z)-3-(imidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ones.Collect Czech Chem C 65(2000), 1643-1652.
Kratochvil B., Jegorov A., Pakhomova S., Husak M., Bulej P., Cvak L., Sedmera P., Havlicek V.: Crystal structures of cyclosporin derivatives: O-acetyl-(4R)-4-(E-2-butyl)-4,N-dimethyl-L-threonyl-cyclosporin A and O-acetyl-(4R)-4-[E-2-(4-bromobutyl)]-4,N-dimethyl-L-threonyl-cyclosporin A.Collect Czech Chem C 64(1999), 89-98.
Husak M., Gabriel R.: Case Study of Polymorphic Transformation.Chem Listy 105(2011), 381-384.
Husak M., Kratochvil B., Jegorov A. et al.: Simvastatin: Structure Solution of Two New Low-Temperature Phases from Synchrotron Powder Diffraction and ss-NMR.Struct Chem 21(2010), 511-518.
Husak M., Jegorov A., Brus J. et al.: Metergoline II: Structure Solution from Powder Diffraction Data with Preferred Orientation and from Microcrystal.Struct Chem 19(2008), 517 - 525.
Husak M., Rohlicek J., Cejka J., Kratochvil B.: Structure determination from powder diffraction data - It is unrealizable dream or daily use?Chem Listy 101(2007), 697-705.
Jegorov A., Cvak L., Bednar R., Cejka J., Husak M., Kratochvil B., Cisarova I.: Structures of cabergoline anhydrate form II and novel cabergoline solvates.Struct Chem 17(2006), 131-137.
Husak M., Kratochvil B., Cisarova I. et al.: Crystal structure of (1-ethoxycarbonyl-pentadecyl)-trimethyl ammonium bromide, (C21H44NO2)Br, form I.Z Krist - New Cryst St 219(2004), 439 - 441.
Bulej P., Kuchar M., Husak M., Kratochvil B., Jegorov A.: Crystal structure of 4-(2 ',4 '-difluorobiphenyl-4-yl)-2-methylbutanoic acid, F2C16H15COOH, deoxoflobufen. Z Krist - New Cryst St 219(2004), 297-298.
Husak M., Kratochvil B., Cisarova I., Cvak L., Jegorov A., Bohm S.: Crystal forms of semisynthetic ergot alkaloid terguride.Collect Czech Chem C 67(2002), 479-489.
Husak M., Kratochvil B., Cisarova I., Jegorov A.: Crystal structures of two new cyclosporin clathrates.Collect Czech Chem C 65(2000), 1950-1958.
Jegorov A., Cvak L., Husek A., Simek P., Heydova A., Ondracek J., Pakhomova S., Husak M., Kratochvil B., Sedmera P., Havlicek V.: Synthesis and crystal structure determination of cyclosporin H.Collect Czech Chem C 65(2000), 1317-1328.
Jegorov A., Pakhomova S., Husak M., Kratochvil B., Zak Z., Cvak L., Buchta M.: Cyclosporins of symmetry P2(1) - a series of clathrates.J Incl Phenom Macro 37(2000), 137-153.
Husak M., Kratochvil B., Jegorov A.: Crystal structure of ergometrine ethyl acetate solvate (2 : 1), (C19H23N3O2)(2)(C4H8O2). Z Krist - New Cryst St 213 (1998), 195-196.
Husak M., Kratochvil B., Sedmera P., Havlicek V., Votavova H., Cvak L., Bulej P., Jegorov A.: Molecular structure of cis- and trans-tergurides.Collect Czech Chem C 63(1998).
Husak M., Kratochvil B., Buchta M., Cvak L., Jegorov A.: Crystal structure of cyclosporin E.Collect Czech Chem C 63(1998), 115-120.
Rohlíček J., Hušák M.: MCE2005 – a new version of a program for fast interactive visualization of electron and similar densitymaps optimized for small molecules.J Appl Crystallogr 40(2007), 600-601.
Rohlicek J., Maixner J., Pazout R. et al.: Alaptide from Synchrotron Powder Diffraction Data.Acta Crystallogr E 66(2010), O821-U2229.
Rohlicek J., Husak M., Kratochvil B. et al.: Methylergometrine Maleate from Synchrotron Powder Diffraction Data. Acta Crystallogr E 65(2009), O3252-U1981.
Rohlicek J., Husak M., Gavenda A. et al.: Capecitabine from X-Ray Powder Synchrotron Data. Acta Crystallogr E 65(2009), O1325-U2267.
Dolensky B., Kvicala J., Paleta O., Lang J., Dvorakova H., Cejka J.: Trifluoromethylated (tetrahydropyrrolo) quinazolinones by a new three-component reaction and facile assignment of the regio- and stereoisomers formed by NMR spectroscopy.Magn Reson Chem 48(2010), 375-385.
Tatar A., Cejka J., Kral V., Dolensky B.: Spiro Troger's Base Derivatives: Another Structural Phoenix?Org Lett 12(2010), 1872-1875.
Sergeyev S., Stas S., Remacle A., Velde CMLV, Dolensky B., Havlik M., Kral V., Cejka J.: Enantioseparations of non-benzenoid and oligo-Troger's bases by HPLC on Whelk O1 column.Tetrahedron-Asymmetr 20(2009), 1918-1923.
Valik M., Cejka J., Havlik M., Kral V., Dolensky B.: Calix-Tris-Troger's bases - a new cavitand family.Chem Commun 37(2007), 3835-3837.
Jegorov A., Cvak L., Bednar R., Cejka J., Husak M., Kratochvil B., Cisarova I.: Structures of cabergoline anhydrate form II and novel cabergoline solvates.Struct Chem 17(2006), 131-137.
Cejka J., Kratochvil B., Cvak L. et al.: Crystal structure of 2-bromo-1 '-alpha beta-dehydro-ergokryptam acetone sesquisolvate, C32H38BrN5O4 center dot 1.5 (CH3)(2)CO.Z Krist - New Cryst St 220(2005), 345-347.
Klepetarova B., Cejka J., Kratochvil B., Pakhomova S., Cisakova I., Cvak L., Jegorov A.: Interesting solvent area in crystal structures of two natural ergot alkaloids.Collect Czech Chem C 70(2005), 41-50.
Cejka J., Kratochvil B., Cisarova I. et al.: Simvastatin.Acta Crystallogr C 59(2003), O428-O430.
Cejka J., Kratochvil B., Bohm S. et al.: Structural Study of Dopamine Agonist Lisuride.Collect Czech Chem C 68(2003), 2150-2158.
Petrickova H., Cejka J., Husak M., Kratochvil B., Cisarova I., Jegorov A., Cvak L.: Structure types of dihydroergotoxine mesylates.Collect Czech Chem C 67(2002), 490-501.
Curinova P., Pojarova M., Budka J., Lang K., Stibor I., Lhotak P.: Binding of neutral molecules by p-nitrophenylureido substituted calix[4]arenes.Tetrahedron 66(2010), 8047-8050.
Holakovsky R., Pojarova M., Dusek M., Cejka J., Cisarova I.: (R)-2,2 '-Bis[N '-(3,5-dichlorophenyl)ureido]-1,1 '-binaphthalene chloroform disolvate.Acta Crystalogr E - Structure Reports Online 67(2011), O384-U806.
Kundrat O., Dvorakova H. Cisarova I., Pojarova M., Lhotak P.: Unusual Intramolecular Bridging Reaction in Thiacalix[4]arene Series.Org Lett 11(2009), 4188-4191.
Machar A., Kozmik V., Pojarova M. et al.: Preparation and Rearrangement Study of Novel Thiophenium- and Selenophenium-Ylides.Collect Czech Chem C 74(2009), 785-798.
Kundrat O., Cisarova I., Bohm S., Pojarova M., Lhotak P.: Uncommon Regioselectivity in Thiacalix[4]arene Formylation.J Org Chem 74(2009), 4592-4596.
Kroupa J., Stibor I.,Pojarova M. Tkadlecova M., Lhotak P.: Anion receptors based on ureido-substituted thiacalix[4]arenes and calix[4]arenes. Tetrahedron 64 (2008), 10075-10079.
Lhotak P., Bila A., Budka J., Pojarova M., Stibora I.: Simple synthesis of calix[4]arenes in a 1,2-alternate conformation.Chem Commun 14(2008), 1662-1664.
Lang K., Proskova P., Kroupa J., Moravek J., Stibor I., Pojarova M., Lhotak P.: The synthesis and complexation of novel azosubstituted calix[4]arenes and thiacalix[4]arenes.Dyes Pigments 77(2008), 646-652.
Pojarova M., Kaufmann D., Gaspar R., Nishino T., Reszka P., Bednarski P.J., von Angerer E.: [(2-Phenylindol-3-yl)methylene]propanedinitriles inhibit the growth of breast cancer cells by cell cycle arrest in G(2)/M phase and apoptosis. Bioorgan Med Chem 15 (2007), 7368-7379.
Pojarova M., Ananchenko G.S., Udachin K.A. et al.: Alpha-C=O Provides Access to the Cavity in Acyl Calix[4]arenes Nanocapsules.New J Chem 31(2007), 871-878.
Ananchenko G.S., Udachin K.A., Pojarova M. et al.: Van der Waals Nanocapsuler Complexes of Amphiphilic Calixarenes.Cryst Growth Des 6(2006), 2141-2148.
Seilerova L., Brusova H., Kratochvil B.: Polymorphs and Other Solid Forms of Pharmaceutical Excipients.Chem Listy 105(2011), 438-444.
Eliška Skořepová, Jan Čejka, Michal Hušák, Václav Eigner, Jan Rohlíček, Antonín Šturc, and Bohumil Kratochvíl.: Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder. Crystal Growth & Design 2013 13 (12), 5193-5203
M. Urbanova, A. Sturcova, J. Brus, H. Benes, E. Skorepova, B. Kratochvil, et al. Characterizing crystal disorder of trospium chloride: A comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD study. J. Pharm. Sci. (2013).
Menova, P.; Eigner, V.; Cejka, J.; Dvorakova, H.; Sanda, M.; Cibulka, R., Synthesis and structural studies of flavin and alloxazine adducts with O-nucleophiles.Journal of Molecular Structure2011,1004, 178-187.
Skalicka, V.; Rybackova, M.; Skalicky, M.; Kvicalova, M.; Cvacka, J.; Brezinova, A.; Cejka, J.; Kvicala, J., Polyfluoroalkylated tripyrazolylmethane ligands: Synthesis and complexes.Journal of Fluorine Chemistry2011,132, 434-440.
Dolensky, B.; Kessler, J.; Jakubek, M.; Havlik, M.; Cejka, J.; Novotna, J.; Kral, V., Synthesis and characterisation of a new naphthalene tris-Troger's base derivative-a chiral molecular clip.Tetrahedron Letters2013,54, 308-311.
Klecka, M.; Pohl, R.; Cejka, J.; Hocek, M., Direct C-H sulfenylation of purines and deazapurines.Organic & Biomolecular Chemistry2013,11, 5189-5193.
Skorepova, E.; Cejka, J.; Husak, M.; Eigner, V.; Rohlicek, J.; Sturc, A.; Kratochvil, B., Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder.Crystal Growth & Design2013,13, 5193-5203.
Urbanova, M.; Sturcova, A.; Brus, J.; Benes, H.; Skorepova, E.; Kratochvil, B.; Cejka, J.; Sedenkova, I.; Kobera, L.; Policianova, O.; Sturc, A., Characterizing crystal disorder of trospium chloride: A comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD study.Journal of Pharmaceutical Sciences2013,102, 1235-1248.
Hanzlova, E.; Navratil, R.; Cejka, J.; Boehm, S.; Martinu, T., Evidence for the Cyclic CN2 Carbene in Solution.Organic Letters2014,16, 852-855.
Skorepova, E.; Husak, M.; Cejka, J.; Zamostny, P.; Kratochvil, B., Increasing dissolution of trospium chloride by co-crystallization with urea.Journal of Crystal Growth2014,399, 19-26.
Šimek M., Grünwaldová V., Kratochvíl B.: A new way of solid dosage form samples preparation for SEM and FTIR using microtome,Pharm. Dev. Technol. 2014, 19 (4) 411–416.
Šimek M., Grünwaldová V., Kratochvíl B.: Current Methods of Measurement of Pharmaceutical Particles Size and Their Restrictions,Chem. Listy2014, 108 (1) 50-55.
Šimek M., Grünwaldová V., Kratochvíl B.: Hot-Stage Microscopy for Determination of API Particles in a Formulated Tablet,BioMed Res. Int.2014, Article ID 832452
Sládková V., Skalická T., Skořepová E., Eigner V., Čejka J., Kratochvíl B.; Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical, CrystEngComm, 2015,17, 4712-4721.
Sládková, V.; Cibulková, J.; Eigner, V.; Šturc, A.; Kratochvíl, B.; Rohlíček, J. Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals. Crystal Growth and Design 2014, 14 (6), 2931–2936.
Sládková, V.; Kratochvíl, B.; Krasnokutskaya, E. Kokrystalizační screening: výhody a úskalí jednotlivých kokrystalizačních technik. Chem. Listy 2014, 11.
Šimek M., Grünwaldová V., Kratochvíl B.: Hot-stage microscopy for Determination of API fragmentation: Comparison with other methods.Pharm. Dev. Technol., 2015 early online 1-7
Šimek M., Kratochvíl B.: Mikroskopie s vyhřívaným stolkem ve farmaceutickém průmyslu, Chem. Listy2015, 109 (9) 687-692.
Šimek M., Vyňuchal J., Tomášová L.: Kneading: Alternative sizing of active pharmaceutical ingredients?,Pharm. Dev. Technol.2015, early online 1-7.
Czech Science Foundation, 21-05926X - Nanocrystallography of molecular crystals (2021-2025)
Czech Science Foundation, 20-01417J - GC20-01417J: New approaches preventing passivation in monitoring of evinronmental organic pollutants (2020-2022)
Czech Science Foundation, 16-10035S - Preparation of pharmaceutical co-crystals and their structural characterization by combination of electron single-crystal and x-ray powder diffraction (2016-2018)
Czech Science Foundation, 14-03636S - Preparation and characterization of advanced multicomponent pharmaceutical solids with targeted physicochemical properties (2014-2016)
Ministry of Education, Youth and Sports, Project 2B08021 - NMR crystallography of active pharmaceuticals ingredients for industrial applications (2008-2011, MSM/2B)
Nievergelt, P. P.; Babor, M.; Cejka, J.; Spingler, B. A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical Science2018 9(15), 3716-3722.
Dolensky, B.; Kessler, J.; Jakubek, M.; Havlik, M.; Cejka, J.; Novotna, J.; Kral, V., Synthesis and characterisation of a new naphthalene tris-Troger's base derivative-a chiral molecular clip. Tetrahedron Letters 2013,54, 308-311.
Skorepova, E.; Cejka, J.; Husak, M.; Eigner, V.; Rohlicek, J.; Sturc, A.; Kratochvil, B., Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder. Crystal Growth & Design 2013,13, 5193-5203.
Urbanova, M.; Sturcova, A.; Brus, J.; Benes, H.; Skorepova, E.; Kratochvil, B.; Cejka, J.; Sedenkova, I.; Kobera, L.; Policianova, O.; Sturc, A., Characterizing crystal disorder of trospium chloride: A comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD study. Journal of Pharmaceutical Sciences 2013,102, 1235-1248.
Skorepova, E.; Husak, M.; Cejka, J.; Zamostny, P.; Kratochvil, B., Increasing dissolution of trospium chloride by co-crystallization with urea. Journal of Crystal Growth 2014,399, 19-26.
Pazout R., Maixner., Dusek M., Kratochvil B.: A new polymorph of succinylcholinium diiodide: comparison of succinylcholinium structures. Acta Crystallogr C 67 (2011), O391-O393.
Kratochvil B.: Solid forms of pharmaceutical molecules. In: Glassy, amorphous and disordered materials: thermal physics, analysis, structure and properties. (Jaroslav Sestak, Jiri J. Mares and Pavel Hubik Eds.). Springer Verlag.
Okavoca L., Vetchy D., Franc A., Rabiskova M., Kratochvil B.: Increasing bioavailability of poorly water-soluble drugs by their modification. Chem Listy 104 (2010), 21-26.
Kratochvil B., Husak M., Brynda J. et al.: What Can the Current X-Ray Structure Analysis Offer? Chem listy 102 (2008), 889-901.
Hajkova M., Kratochvil B., Radl S.: Atorvastatin - the world´s best selling drug. Chem Listy 102 (2008), 3-14.
Kratochvil B.: Crystallization of Pharmaceutical Substances. Chem listy 101 (2007), 3-12.
Jegorov A., Petrickova H., Kratochvil B., Cisarova I.: An unusual cis-dichloro[17-(cyclobutylmethyl)3-methoxymorphinan-14-ol- N,O] palladium(II) complex. Collect Czech Chem C 71 (2006), 434-442.
Chudik M., Jegorov A., Petrickova H., Kratochvil B., Cisarova I.: Crystal structure of 3-benzoylmorphin-6-one-17-carboxamide ethanol solvate (1 : 0.333), C24H20N2O5 center dot 0.333C(2)H(5)OH. Z Krist-New Cryst St 220 (2005), 348-350.
Kratochvil B.: Crystal lattice - What with it? Chem Listy 99 (2005), 258-259.
Kratochvil B., Belohlav Z.: Involvement of Institute of Chemical Technology Prague in the research and manufacturing of pharmaceuticals. Chem Listy 98 (2004), 1140-1142.
Kratochvil B., Husak M., Jegorov A.: Polymorphism and solvatomorphism of solid substances in pharmacy.Chem listy 96 (2002), 330-335.
Kamenicek J., Valach F., Kratochvil B., Zak Z.: Syntheses and structure of Ni(III) complexes with 1-toluene-3,4-dithiole. Bond-valence approach to the oxidation state of the central atom. Pol J Chem 76(2002), 483-490.
Krarochvil B., Husak M., Jegorov A.: Conformational flexibility of cyclosporins. Chem Listy 95 (2001), 9-17.
Pohl R., Sykora J., Malon P., Bohm S., Kratochvil B., Kuthan J.: Sterically crowded heterocycles. XIII. An insight into the absolute stereochemistry of atropisomeric (Z)-3-(imidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ones.Collect Czech Chem C 65 (2000), 1643-1652.
Kratochvil B., Jegorov A., Pakhomova S., Husak M., Bulej P., Cvak L., Sedmera P., Havlicek V.: Crystal structures of cyclosporin derivatives: O-acetyl-(4R)-4-(E-2-butyl)-4,N-dimethyl-L-threonyl-cyclosporin A and O-acetyl-(4R)-4-[E-2-(4-bromobutyl)]-4,N-dimethyl-L-threonyl-cyclosporin A. Collect Czech Chem C 64(1999), 89-98.
Husak M., Gabriel R.: Case Study of Polymorphic Transformation. Chem Listy 105 (2011), 381-384.
Husak M., Kratochvil B., Jegorov A. et al.: Simvastatin: Structure Solution of Two New Low-Temperature Phases from Synchrotron Powder Diffraction and ss-NMR. Struct Chem 21 (2010), 511-518.
Husak M., Jegorov A., Brus J. et al.: Metergoline II: Structure Solution from Powder Diffraction Data with Preferred Orientation and from Microcrystal. Struct Chem 19 (2008), 517 - 525.
Husak M., Rohlicek J., Cejka J., Kratochvil B.: Structure determination from powder diffraction data - It is unrealizable dream or daily use? Chem Listy 101 (2007), 697-705.
Jegorov A., Cvak L., Bednar R., Cejka J., Husak M., Kratochvil B., Cisarova I.: Structures of cabergoline anhydrate form II and novel cabergoline solvates. Struct Chem 17 (2006), 131-137.
Husak M., Kratochvil B., Cisarova I. et al.: Crystal structure of (1-ethoxycarbonyl-pentadecyl)-trimethyl ammonium bromide, (C21H44NO2)Br, form I. Z Krist - New Cryst St 219 (2004), 439 - 441.
Bulej P., Kuchar M., Husak M., Kratochvil B., Jegorov A.: Crystal structure of 4-(2 ',4 '-difluorobiphenyl-4-yl)-2-methylbutanoic acid, F2C16H15COOH, deoxoflobufen. Z Krist - New Cryst St 219 (2004), 297-298.
Husak M., Kratochvil B., Cisarova I., Cvak L., Jegorov A., Bohm S.: Crystal forms of semisynthetic ergot alkaloid terguride. Collect Czech Chem C 67 (2002), 479-489.
Husak M., Kratochvil B., Cisarova I., Jegorov A.: Crystal structures of two new cyclosporin clathrates.Collect Czech Chem C 65 (2000), 1950-1958.
Jegorov A., Cvak L., Husek A., Simek P., Heydova A., Ondracek J., Pakhomova S., Husak M., Kratochvil B., Sedmera P., Havlicek V.: Synthesis and crystal structure determination of cyclosporin H. Collect Czech Chem C 65 (2000), 1317-1328.
Jegorov A., Pakhomova S., Husak M., Kratochvil B., Zak Z., Cvak L., Buchta M.: Cyclosporins of symmetry P2(1) - a series of clathrates. J Incl Phenom Macro 37 (2000), 137-153.
Husak M., Kratochvil B., Jegorov A.: Crystal structure of ergometrine ethyl acetate solvate (2 : 1), (C19H23N3O2)(2)(C4H8O2). Z Krist - New Cryst St 213 (1998), 195-196.
Husak M., Kratochvil B., Sedmera P., Havlicek V., Votavova H., Cvak L., Bulej P., Jegorov A.: Molecular structure of cis- and trans-tergurides. Collect Czech Chem C 63 (1998).
Husak M., Kratochvil B., Buchta M., Cvak L., Jegorov A.: Crystal structure of cyclosporin E. Collect Czech Chem C 63 (1998), 115-120.
Rohlíček J., Hušák M.: MCE2005 – a new version of a program for fast interactive visualization of electron and similar densitymaps optimized for small molecules. J Appl Crystallogr 40 (2007), 600-601.
Rohlicek J., Maixner J., Pazout R. et al.: Alaptide from Synchrotron Powder Diffraction Data. Acta Crystallogr E 66 (2010), O821-U2229.
Rohlicek J., Husak M., Kratochvil B. et al.: Methylergometrine Maleate from Synchrotron Powder Diffraction Data. Acta Crystallogr E 65 (2009), O3252-U1981.
Rohlicek J., Husak M., Gavenda A. et al.: Capecitabine from X-Ray Powder Synchrotron Data. Acta Crystallogr E 65 (2009), O1325-U2267.
Dolensky B., Kvicala J., Paleta O., Lang J., Dvorakova H., Cejka J.: Trifluoromethylated (tetrahydropyrrolo) quinazolinones by a new three-component reaction and facile assignment of the regio- and stereoisomers formed by NMR spectroscopy. Magn Reson Chem 48 (2010), 375-385.
Tatar A., Cejka J., Kral V., Dolensky B.: Spiro Troger's Base Derivatives: Another Structural Phoenix? Org Lett 12 (2010), 1872-1875.
Sergeyev S., Stas S., Remacle A., Velde CMLV, Dolensky B., Havlik M., Kral V., Cejka J.: Enantioseparations of non-benzenoid and oligo-Troger's bases by HPLC on Whelk O1 column. Tetrahedron-Asymmetr 20 (2009), 1918-1923.
Valik M., Cejka J., Havlik M., Kral V., Dolensky B.: Calix-Tris-Troger's bases - a new cavitand family.Chem Commun 37 (2007), 3835-3837.
Jegorov A., Cvak L., Bednar R., Cejka J., Husak M., Kratochvil B., Cisarova I.: Structures of cabergoline anhydrate form II and novel cabergoline solvates. Struct Chem 17 (2006), 131-137.
Cejka J., Kratochvil B., Cvak L. et al.: Crystal structure of 2-bromo-1 '-alpha beta-dehydro-ergokryptam acetone sesquisolvate, C32H38BrN5O4 center dot 1.5 (CH3)(2)CO. Z Krist - New Cryst St 220 (2005), 345-347.
Klepetarova B., Cejka J., Kratochvil B., Pakhomova S., Cisakova I., Cvak L., Jegorov A.: Interesting solvent area in crystal structures of two natural ergot alkaloids. Collect Czech Chem C 70 (2005), 41-50.
Cejka J., Kratochvil B., Cisarova I. et al.: Simvastatin. Acta Crystallogr C 59 (2003), O428-O430.
Cejka J., Kratochvil B., Bohm S. et al.: Structural Study of Dopamine Agonist Lisuride. Collect Czech Chem C 68 (2003), 2150-2158.
Petrickova H., Cejka J., Husak M., Kratochvil B., Cisarova I., Jegorov A., Cvak L.: Structure types of dihydroergotoxine mesylates. Collect Czech Chem C 67 (2002), 490-501.
Curinova P., Pojarova M., Budka J., Lang K., Stibor I., Lhotak P.: Binding of neutral molecules by p-nitrophenylureido substituted calix[4]arenes. Tetrahedron 66 (2010), 8047-8050.
Holakovsky R., Pojarova M., Dusek M., Cejka J., Cisarova I.: (R)-2,2 '-Bis[N '-(3,5-dichlorophenyl)ureido]-1,1 '-binaphthalene chloroform disolvate. Acta Crystalogr E - Structure Reports Online 67 (2011), O384-U806.
Kundrat O., Dvorakova H. Cisarova I., Pojarova M., Lhotak P.: Unusual Intramolecular Bridging Reaction in Thiacalix[4]arene Series. Org Lett 11 (2009), 4188-4191.
Machar A., Kozmik V., Pojarova M. et al.: Preparation and Rearrangement Study of Novel Thiophenium- and Selenophenium-Ylides. Collect Czech Chem C 74 (2009), 785-798.
Kundrat O., Cisarova I., Bohm S., Pojarova M., Lhotak P.: Uncommon Regioselectivity in Thiacalix[4]arene Formylation. J Org Chem 74 (2009), 4592-4596.
Kroupa J., Stibor I.,Pojarova M. Tkadlecova M., Lhotak P.: Anion receptors based on ureido-substituted thiacalix[4]arenes and calix[4]arenes. Tetrahedron 64 (2008), 10075-10079.
Lhotak P., Bila A., Budka J., Pojarova M., Stibora I.: Simple synthesis of calix[4]arenes in a 1,2-alternate conformation. Chem Commun 14 (2008), 1662-1664.
Lang K., Proskova P., Kroupa J., Moravek J., Stibor I., Pojarova M., Lhotak P.: The synthesis and complexation of novel azosubstituted calix[4]arenes and thiacalix[4]arenes. Dyes Pigments 77 (2008), 646-652.
Pojarova M., Kaufmann D., Gaspar R., Nishino T., Reszka P., Bednarski P.J., von Angerer E.: [(2-Phenylindol-3-yl)methylene]propanedinitriles inhibit the growth of breast cancer cells by cell cycle arrest in G(2)/M phase and apoptosis. Bioorgan Med Chem 15 (2007), 7368-7379.
Pojarova M., Ananchenko G.S., Udachin K.A. et al.: Alpha-C=O Provides Access to the Cavity in Acyl Calix[4]arenes Nanocapsules. New J Chem 31 (2007), 871-878.
Ananchenko G.S., Udachin K.A., Pojarova M. et al.: Van der Waals Nanocapsuler Complexes of Amphiphilic Calixarenes. Cryst Growth Des 6 (2006), 2141-2148.
Seilerova L., Brusova H., Kratochvil B.: Polymorphs and Other Solid Forms of Pharmaceutical Excipients.Chem Listy 105 (2011), 438-444.
Eliška Skořepová, Jan Čejka, Michal Hušák, Václav Eigner, Jan Rohlíček, Antonín Šturc, and Bohumil Kratochvíl.: Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder. Crystal Growth & Design 2013 13 (12), 5193-5203
M. Urbanova, A. Sturcova, J. Brus, H. Benes, E. Skorepova, B. Kratochvil, et al. Characterizing crystal disorder of trospium chloride: A comprehensive,13C CP/MAS NMR, DSC, FTIR, and XRPD study. J. Pharm. Sci. (2013).
Šimek M., Grünwaldová V., Kratochvíl B.: A new way of solid dosage form samples preparation for SEM and FTIR using microtome, Pharm. Dev. Technol. 2014, 19 (4) 411–416.
Šimek M., Grünwaldová V., Kratochvíl B.: Current Methods of Measurement of Pharmaceutical Particles Size and Their Restrictions, Chem. Listy 2014, 108 (1) 50-55.
Šimek M., Grünwaldová V., Kratochvíl B.: Hot-Stage Microscopy for Determination of API Particles in a Formulated Tablet, BioMed Res. Int. 2014, Article ID 832452
Sládková V., Skalická T., Skořepová E., Eigner V., Čejka J., Kratochvíl B.; Systematic solvate screening of trospium chloride: discovering hydrates of a long-established pharmaceutical, CrystEngComm, 2015,17, 4712-4721.
Sládková, V.; Cibulková, J.; Eigner, V.; Šturc, A.; Kratochvíl, B.; Rohlíček, J. Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals. Crystal Growth and Design 2014, 14 (6), 2931–2936.
Sládková, V.; Kratochvíl, B.; Krasnokutskaya, E. Kokrystalizační screening: výhody a úskalí jednotlivých kokrystalizačních technik. Chem. Listy 2014, 11.
Šimek M., Grünwaldová V., Kratochvíl B.: Hot-stage microscopy for Determination of API fragmentation: Comparison with other methods. Pharm. Dev. Technol., 2015 early online 1-7
Šimek M., Kratochvíl B.: Mikroskopie s vyhřívaným stolkem ve farmaceutickém průmyslu, Chem. Listy2015, 109 (9) 687-692.
Šimek M., Vyňuchal J., Tomášová L.: Kneading: Alternative sizing of active pharmaceutical ingredients?,Pharm. Dev. Technol. 2015, early online 1-7.
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