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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:
prof. Ing. František Kovanda, CSc. Ing. Michaela Dvořáková, Ph.D. Szabolcs Muráth, Ph.D.
Migration of heavy metals in the environment
Due to their structure and sorption properties, some inorganic materials are used to remove toxic substances that are undesirable in the environment. Such materials are clay minerals, iron oxides and hydroxides or zeolites, but also biosorbents, eg biochar.
What toxic substances are we investigating?
Especially arsenic, antimony and selenium, their geochemical properties, stability in waters and soils, transport through the environment.
Symptoms of arsenicosis
What materials do we use to decontaminate affected areas?
To decontaminate stressed areas, we use natural materials based on oxides of iron, aluminum and manganese, but especially aluminosilicates (clay minerals) in their original and modified form. Such materials are tested as selective sorbents suitable for removing toxic substances from soils and waters. We are also newly investigating biological sorbents (biochar), which promise perspective, cheap and ecological solutions in environmental protection.
Original and modified clay sorbents
Mechanism of Fe bonding to the surface of the clay matrix
The second research area is focused on finding the optimal conditions for decontamination of a specific loaded system and designing the appropriate remediation technology.
Leaks of acid mine waters in the Kutná Hora district (high concentrations of arsenic and iron)
How do we measure the concentrations of arsenic, antimony and selenium?
Concentrations of arsenic, antimony and selenium are measured by Atomic Fluorescence Spectrometry with Hydride Generation (HG-AFS) on a PSA 10.055 Millennium Excalibur instrument (manufactured by PSAnalytical, Kent, UK), which allows the determination of trace concentrations of these hydride-forming elements within the detection limit.
Semi-quantitative analysis of solid samples is performed by X-ray fluorescence spectroscopy (XRF) on a Rigaku NEX QC energy dispersive spectrometer (manufactured by Applied Rigaku Technologies, Inc., Austin, TX, USA) which allows the determination of elements from sodium (11Na) to uranium (92U) in solid substances, liquids, powders and alloys.
Zeolites
Zeolites are crystalline hydrated aluminosilicates of alkaline metals alkaline earth metals. The basic of zeolite structure is anionic frame of Si and Al T-atoms, which are tetrahedral coordinated with oxygen atoms. By reason of electrostatic forces it is not possible to make an Al-O-Al bond. Tetrahedrons form single or multipath circles, thereby cavities with diferent size originate in zeolite structure. These cavities are connected by channels. Non-frames cations are not fixed closely and can be changed for another cations. Zeolites are often used in ion-exchange reactions, have unique properties as sorbents and molecular sieves, and play important role in heterogenous catalysis. Zeolites offer in natural localities and a number of it was prepared synthetically.
Structure of zeolites
In the Department of Solid State Chemistry, a synthesis technology was developed based on the hydrothermal reaction of fly-ashes (from power plants) and certified many use-possibilities of these zeolites (heavy metal cations separation, radioactive isotopes separation from wastewater, use in agriculture, etc.).
What do we study about zeolites?
preparation of so-called geopolymer zeolites (zeolites A, X and P) from brick tablecloths
separation of water from the water-ethanol system (preparation of absolute alcohol)
influencing the sensory properties of wine by natural and synthetic zeolites
recirculation systems for fish farming.
Layered double hydroxides and mixed oxides
Layered double hydroxides (LDHs), known also as hydrotalcite-like compounds or anionic clays, represent a group of important inorganic materials usable in many applications. Their chemical composition can be expressed by the general formula MII1-xMIIIx(OH)2An-x/n·yH2O where MII and MIII are divalent and trivalent metal cations and An- is an n-valent anion. These compounds have a layered crystal structure composed of positively charged hydroxide layers [MII1-xMIIIx(OH)2]x+ and interlayers containing anions and water molecules. The value of x, usually in the range from 0.20 to 0.33, represents a portion of trivalent metal cations substituted in hydroxide layers. Layered double hydroxides exhibit anion-exchange properties; a weak bonding between the hydroxide sheets and interlayer anions enables their exchange for the other ones. At moderate temperatures (up to about 500 °C) layered double hydroxides are decomposed to form mixed oxides of MII and MIII metals. These mixed oxides are rehydrated in aqueous solutions; the rehydration process results in reconstruction of the layered LDH structure and intercalation of anions from the solution into interlayers. This unique property of layered double hydroxides can be employed for preparation of compounds intercalated with various anions and polar molecules or in removal of undesirable components from solutions. The delamination/restacking procedure, when LDHs are restacked from colloidal dispersion formed by their delamination in a suitable solvent, represents an interesting way for intercalation of water-insoluble components. The often used group name “hydrotalcite-like compounds” is related to the mineral hydrotalcite (Mg6Al2(OH)16CO3·4H2O). A group of other natural minerals with analogous crystal structure has been reported and a great number of synthetic compounds, combining various MII and MIII metal cations in hydroxide layers and various anions intercalated in the interlayers, can be prepared.
Structure of layered double hydroxides
Synthetic hydrotalcite is used mainly in the plastics industry, namely as a component of PVC stabilizing compositions and as a neutralizing agent (acid scavenger) in production of polyolefins. Layered double hydroxides can be applied also as nanofillers for synthesizing polymer-based nanocomposites, in which inorganic nanoparticles dispersed in relatively low concentration in the polymer matrix improve its properties. The representative pharmaceutical application of layered double hydroxides is the hydrotalcite-derived antacid. They are also studied as carriers for drugs and other bioactive substances. Layered double hydroxides are widely used in heterogeneous catalysis, mainly as precursors for preparation of mixed oxide-based catalysts. The anion-exchange properties of layered double hydroxides and their ability to recover the layered crystal structure during rehydration of thermally decomposed products may be utilized for adsorption of undesirable contaminants. Layered double hydroxides are often used also as host inorganic structure suitable for intercalation of various anions and molecules, resulting in the preparation of hybrid materials with interesting physical and chemical properties.
Our interests
Preparation of precursors and mixed oxides for heterogeneous catalysis
Our research is focused on preparation of layered double hydroxides and other precursors of desired chemical composition and thermal treatment of these precursors including a study of the thermal decomposition, formation of oxide phases and their transformation during heating. We are interested also in the deposition of precursors and mixed oxides on metal and ceramic supports. The obtained materials are then studied as catalysts for removal of gaseous pollutants, namely the volatile organic compounds and.
Preparation of layered double hydroxides intercalated with organic components
We are concerned with synthesis of the host structures and their intercalation with organic anions or molecules, especially the active pharmaceutical ingredients; this research is focused on development of new solid dosage forms. The layered double hydroxides intercalated with organic components are studied also in other applications such as preparation of LDH/polymer nanocomposites and photoactive materials. We are interested also in synthesis of other organic-inorganic hybrid materials.
Supported catalyst with active layer of Co-Mn-Al mixed oxide obtained by thermal decomposition of LDH precursor prepared on anodized aluminum mesh
Arrangement of paracetamol molecules intercalated in the LDH interlayer
Innovative plasma-chemical and chemical synthesis of nickel-containing mixed oxide catalysts for the oxidation of volatile organic pollutants (2021 – 2023) (project No. 21-04477S, Czech Science Foundation)
Bioaccesibility and environmental interaction of antimony near busy traffic nodes (2019 – 2021) (project No. 19-04682S, Czech Science Foundation)
Concrete slurry - hazardous waste or secondary raw material? (2019 – 2021) (project No. 19-11027S, Czech Science Foundation)
Advanced preparation of catalytically active oxides on metal supports using combination of plasma sputtering and chemical methods (2017 – 2019) (project No. 17-08389S, Czech Science Foundation)
Structured catalysts with active oxide layer for abatement of gaseous pollutants (2014 – 2016)
(project no. 14-13750S, Czech Science Foundation)
Abatement of N2O emissions from waste gas of nitric acid production (2011 – 2013) (Project no. TA01020336, Technology Agency of the Czech Republic)
Structured catalysts with low concentration of active components for total oxidation of VOC (2010 – 2012) (grant project No. 106/10/1762, Czech Science Foundation)
Supported oxidic catalysts containing low amount of active species as catalysts for N2O decomposition (2009 – 2011) (grant project No. 106/09/1664, Czech Science Foundation)
Topka P., Dvořáková M., Kšírová P., Perekrestov R., Čada M., Balabánová J., Koštejn M., Jirátová K., Kovanda F.: Structured cobalt oxide catalysts for VOC abatement: the effect of preparation method.Environ. Sci. Pollut. Res. 27 (2020) 7608–7617
Jirátová K., Perekrestov R., Dvořáková M., Balabánová J., Topka P., Koštejn M., Olejníček J., Čada M., Hubička Z., Kovanda F.: Cobalt oxide catalysts in the form of thin films prepared by magnetron sputtering on stainless-steel meshes: Performance in ethanol oxidation. Catalysts 806(9) (2019), 16 pp.
Dvořáková M., Perekrestov R., Kšírová P., Balabanová J., Jirátová K., Maixner J., Topka P., Rathouský J., Koštejn M., Čada M., Hubička Z., Kovanda F.: Preparation of cobalt oxide catalysts on stainless steel wire mesh by combination of magnetron sputtering and electrochemical deposition. Catal. Today 334 (2019) 13-23.
Jirátová K., Kovanda F., Balabánová J., Kšírová P.: Aluminum wire meshes coated with Co-Mn-Al and Co oxides as catalysts for deep ethanol oxidation. Catal. Today 304 (2018) 165-171.
Hynek J., Jurík S., Koncošová M., Zelenka J., Křížová I., Ruml T., Kirakci K., Jakubec I., Kovanda F., Lang K., Demel J.: The nanoscaled metal-organic framework ICR-2 as a carrier of porphyrins for photodynamic therapy. Beilstein J. Nanotechnol. 9 (2018) 2960-2967.
Klegová A., Pacultová K., Fridrichová D., Volodarskaja A, Kovanda F., Jirátová K.: Cobalt oxide catalysts on commercial supports for N2O decomposition. Chem. Eng. Technol. 40 (2017) 981-990.
Jirátová K., Balabánová J., Kovanda F., Klegová A., Obalová L., Fajgar R.: Cobalt oxides supported over ceria-zirconia coated cordierite monoliths as catalysts for deep oxidation of ethanol and N2O decomposition. Catal. Lett. 147 (2017) 1379-1391.
Jirátová K., Kovanda F., Balabánová J, Koloušek D., Klegová A., Pacultová K., Obalová L.: Cobalt oxide catalysts supported on CeO2-TiO2 for ethanol oxidation and N2O decomposition. React. Kinet. Mech. Catal. 121 (2017) 121-139.
Basag S., Kovanda F., Piwowarska Z., Kowalczyk A., Pamin K., Chmielarz L.: Hydrotalcite-derived Co-containing mixed metal oxide catalysts for methanol incineration. Role of cobalt content, Mg/Al ratio and calcination temperature. J. Therm. Anal. Calorim. 129 (2017) 1301-1317.
Jirátová K., Kovanda F., Ludvíková J., Balabánová J., Klempa J.: Total oxidation of ethanol over layered double hydroxide-related mixed oxide catalysts: Effect of cation composition. Catal. Today 277 (2016) 61-67.
Pacultová K., Karásková K., Kovanda F., Jirátová K., Šrámek J., Kustrowski P., Kotarba A., Chromčáková Z., Kočí K., Obalová L.: K-doped Co-Mn-Al mixed oxide catalyst for N2O abatement from nitric acid plant waste gases: Pilot plant studies. Ind. Eng. Chem. Res. 55 (2016) 7076-7084.
Ludvíková J., Jablonska M., Jirátová K., Chmielarz L., Balabánová J., Kovanda F., Obalová L.: Co-Mn-Al mixed oxides as catalysts for ammonia oxidation to N2O. Res. Chem. Intermed. 42 (2016) 2669-2690.
Chromčáková Ž., Obalová L., Kustrowski P., Drozdek M., Karásková K., Jirátová K., Kovanda F.: Optimization of Cs content in Co–Mn–Al mixed oxide as catalyst for N2O decomposition. Res. Chem. Intermed. 41 (2015) 9319-9332.
Chromčáková Ž., Obalová L., Kovanda F., Legut D., Titov A., Ritz M., Fridrichová D., Michalik S., Kuśtrowski P., Jirátová K.: Effect of precursor synthesis on catalytic activity of Co3O4 in N2O decomposition. Catal. Today 257 (2015) 18-25.
Klyushina A., Pacultová K., Krejčová S., Słowik G., Jirátová K., Kovanda F., Ryczkowski J., Obalová L.: Advantages of stainless steel sieves as support for catalytic N2O decomposition over K-doped Co3O4, Catal. Today 257 (2015) 2-10.
Lennerová D., Kovanda F., Brožek J.: Preparation of Mg–Al layered double hydroxide/polyamide 6 nanocomposites using Mg–Al–taurate LDH as nanofiller. Appl. Clay Sci. 114 (2015) 265-272.
Jablonska M., Chmielarz L., Wegrzyn A., Guzik K., Piwowarska Z., Witkowski S., Walton R.I., Dunne P.V., Kovanda F.: Thermal transformations of Cu–Mg (Zn)–Al(Fe) hydrotalcite-like materials into metal oxide systems and their catalytic activity in selective oxidation of ammonia to dinitrogen. J, Therm. Anal. Calorim. 114 (2013) 731-747.
Kovanda F., Jirátová K., Ludvíková J., Rabbová H.: Co-Mn-Al mixed oxides on anodized aluminum supports and their use as catalysts in the total oxidation of ethanol. Appl. Catal. A 464 (2013) 181-190.
Ludvíková J., Jirátová K., Kovanda F.: Mixed oxides of transition metals as catalysts for total ethanol oxidation. Chem. Pap. 66 (2012) 589-597.
Kovanda F., Maryskova Z. Kovar P.: Intercalation of paracetamol into the hydrotalcite-like host. J Solid State Chem 184 (2011), 3329-3335.
Kovanda F., Jiratova K.: Supported mixed oxide catalysts for the total oxidation of volatile organic compounds. Catal Today 176 (2011), 110-115.
Kovanda F., Jiratova K.: Supported layered double hydroxide-related mixed oxides and their application in the total oxidation of volatile organic compounds. Appl Clay Sci 53 (2011), 305-316.
Kovar P., Popisil M., Kafunkova E., Lang K., Kovanda F.: Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments. J Mol Model 16 (2010), 223-233.
Kovanda F., Jindova E., Lang K., Kubat P., Sedlakova Z.: Preparation of layered double hydroxides intercalated with organic anions and their application in LDH/poly(butyl methacrylate) nanocomposites.Appl Clay Sci 48 (2010), 260-270.
Karaskova K., Obalova L., Jiratova K., Kovanda F.: Effect of promoters in Co-Mn-Al mixed oxide catalyst on N2O decomposition. Chem Eng J 160 (2010), 480-487.
Kovanda F., Mašátová P., Novotná P., Jirátová K.: The formation of layered double hydroxides on alumina surface in aqueous solutions containing divalent metal cations. Clay Clay Miner 57 (2009), 425-432.
Obalová L., Karásková K., Jirátová K., Kovanda F.: Effect of potassium in calcined Co-Mn-Al layered double hydroxide on the catalytic decomposition of N2O. Appl Catal B 90 (2009), 132-140.
Jirátová K., Mikulová J., Klempa J., Grygar T., Bastl Z., Kovanda F.: Modification of Co-Mn-Al mixed oxide with potassium and its effect on deep oxidation of VOC. Appl Catal A 361 (2009), 106-116.
Kovanda F., Rojka T., Bezdička P., Jirátová K., Obalová L., Pacultová K., Bastl Z., Grygar T.: Effect of hydrothermal treatment on properties of Ni-Al layered double hydroxides and related mixed oxides. J Solid State Chem 182 (2009), 27-36.
Červený J., Šplíchalová J., Kačer P., Kovanda F., Kuzma M., Červený L.: Molecular shape selectivity of hydrotalcite in mixed aldol condensations of aldehydes and ketones. J Mol Catal A 285 (2008), 150-154.
Kovanda F., Káfuňková E., Rojka T., Lang K.: Intercalation of porphyrins into Mg-Al hydrotalcite. Mater Struct 15 (2008), 28-32.
Lang K., Bezdička P., Bourdelande J. L., Hernando J., Jirka I., Káfuňková E., Kovanda F., Kubát P., Mosinger J., Wagnerová D. M.: Layered double hydroxides with intercalated porphyrins as photofunctional materials: Subtle structural changes modify singlet oxygen production. Chem Mater 19 (2007), 3822-3829.
Obalová L., Jirátová K., Kovanda F., Valášková M., Balabánová J., Pacultová K.: Structure–activity relationship in the N2O decomposition over Ni-(Mg)-Al and Ni-(Mg)-Mn mixed oxides prepared from hydrotalcite-like precursors. J Mol Catal A 248 (2006), 210-219.
Kovanda F., Rojka T., Dobešová J., Machovič V., Bezdička P., Obalová L., Jirátová K., Grygar T.: Mixed oxides obtained from Co and Mn containing layered double hydroxides: Preparation, characterization, and catalytic properties. J Solid State Chem 179 (2006), 812-823.
Obalová L., Jirátová K., Kovanda F., Pacultová K., Lacný Z., Mikulová Z.: Catalytic decomposition of nitrous oxide over catalysts prepared from Co/Mg-Mn/Al hydrotalcite-like compounds. Appl Catal B 60(2005), 289-297.
Kovanda F., Grygar T., Dorničák V., Rojka T., Bezdička P., Jirátová K.: Thermal behaviour of Cu-Mg-Mn and Ni-Mg-Mn layered double hydroxides and characterization of formed oxides. Appl Clay Sci 28 (2005), 121-136.
Kovanda F., Koloušek D., Cílová Z., Hulínský V.: Crystallization of synthetic hydrotalcite under hydrothermal conditions. Appl Clay Sci 28 (2005), 101-109.
Kovanda F., Grygar T., Dorničák V.: Thermal behaviour of Ni-Mn layered double hydroxide and characterization of formed oxides. Solid State Sci 5 (2003), 1019-1026.
Kovanda F., Balek V., Dorničák V., Martinec P., Mašláň M., Bílková L., Koloušek D., Bountseva I.M.: Thermal behaviour of synthetic pyroaurite-like anionic clay. J Therm Anal Calorim 71 (2003), 727-737.
Kovanda F., Jirátová K., Rymeš J., Koloušek D.: Characterization of activated Cu/Mg/Al hydrotalcites and their catalytic activity in toluene combustion. Appl Clay Sci 18 (2001), 71-80.
Kovanda F., Koloušek D., Kalousková R., Vymazal Z.: Zahájení výroby syntetického hydrotalcitu v České republice. Chem Listy 95 (2001), 493-497.
Dousova B., Lhotka M., Grygar T., Machovic V., Herzogova L.: In situ co-adsorption of arsenic and iron/manganese ions on raw clays. Appl Clay Sci 54 (2011), 166-171.
Dousova B., Fuitova L., Herzogova L. et al.: Modified low-grade aluminosilicates as effective sorbents of hazardeous oxyanions from aqueous systems. Acta Geodyn Geomater 6 (2009), 193-200.
Dousova B., Fuitova L., Grygar T. et al.: Modified aluminosilicates as low-cost sorbents of As(III) from anoxic groundwater. J Hazard Mater 165 (2009), 134-140.
Erbanova L., Novak M., Fottova D., Dousova B.: Export of arsenic from forested catchments under easing atmospheric pollution. Environ Sci Technol 42 (2008), 7187-7192.
Dousova B., Martaus A., Fillipi M. et al.: Stability of arsenic species in soils contaminated naturally and in an anthropogenic manner. Water Air Soil Poll 187 (2008), 233-241.
Dousova B., Erbanova L., Novak M.: Arsenic in atmospheric deposition at the Czech-Polish border: Two sampling campaigns 20 years apart. Sci Total Environ 387 (2007), 185-193.
Grygar T., Hradil D., Bezdicka P., Dousova B., Capek L., Schneeweiss O.: Fe(III)-modified montmorillonite and bentonite: Synthesis, chemical and UV-vis spectral characterization, arsenic sorption, and catalysis of oxidative dehydrogenation of propane. Clay Clay Miner 55 (2007), 165-176.
Filippi M., Dousova B., Machovic V.: Mineralogical speciation of arsenic in soils above the Mokrsko-west gold deposit, Czech Republic. Geoderma 139 (2007), 154-170.
Dousova B., Grygar T., Martaus A. et al.: Sorption of As-V on alumino silicates treated with Fe-II nanoparticles. J Colloid Inter Sci 302 (2006), 424-431.
Dousova B., Kolousek D., Kovanda F. et al.: Removal of As(V) species from extremly contaminated mining water. Appl Clay Sci 28 (2005), 31-42.
Dousova B., Machovic V., Kolousek D., Kovanda F., Dornicak V.: Sorption of As(V) species from aqueous systems. Water Air Soil Poll 149 (2003), 251-267.
Dousova B., Kolousek D., Kovanda F. Způsob dvoustupňové dekontaminace důlní vody s vysokým obsahem arsenu a iontů železa. PV 2003-3445, 2003.
Kolousek D., Brus J., Urbanova M. et al.: Preparation, Structure and Hydrothermal Stability of Alternative (Sodium Silicate-free) Geopolymers. J Mater Sci 42 (2007), 9267-9275.
Koloušek D., Vorel J., Procházková E., Doušová B., Andertová J., Kovanda F., Pažout R., Brus J., Urbanová M., Drottnerová J., Holešínský R. Heat- and Alkali-induced Geopolymer Reactions in Systems: NaOH + Metakaoline + H2O, NaOH + Metakaoline (kaoline) + Fly Ash + H2O, NaOH + Slag + Metakaoline + H2O and NaOH + Slag + H2O Conf. World of Coal Ash, Kentucky, 11.4.-15.4., 2005.
Koloušek D., Vorel J., Doušová B., Andertová J., Kovanda F., Pažout R., Brus J., Urbanová M., Drottnerová J., Holešínský R. Hydrothermal stability of composites prepared from metakaoline activated with NaOH and KOH Conf. World Congress Geopolymer 2005, 29.6.-1.7. 2005, Saint-QuentinSorption of hazardeous arsenic from aqueous systems BIOGEOMON, Int. Symp., Reading, 2002.
Koloušek D., Vorel J., Doušová B. Andertová J., Kovanda F., Pažout R., Brus J., Urbanová M., Drottnerová J., Holešinský R.: Hydrothermal stability of composites prepared from metakaoline (geopolymer) and slag. Acta Miner Petr (Abstract series) 4 (2004), 54.
Koloušek D., Vorel J., Brus J., Urbanová M., Andertová J., Drottnerová J., Holešínský R., Doušová B., Kovanda F.: Hydrotermální stabilita geopolymerů. VIII. konference Ekologie a nové stavební hmoty a výrobky, Telč, 16.6.-18.6.2004.
Štyriaková I., Koloušek D., Štyriak I., Lengauer K., Tillmanns E. Bioleaching of natural zeolite – the processes of iron removal and chamfer of clinoptilolite grains. In: 15th International Biohydrometallurgy symposium, Athens-Hellas, 14.9. – 19.9. 2003, Book of Abstracts IBS, p.98.
Štyriaková I., Koloušek D., Štyriak I., Lengauer K., Tillmanns E. Bioleaching of natural zeolite – the processes of iron removal and chamfer of clinoptilolite grains. In: 15th International Biohydrometallurgy symposium, Athens-Hellas, 14.9. – 19.9. 2003.
Koloušek D., Štyriaková I., Kovanda F., Tannenbergerová R., Dorničák V.: Environmental aspects of zeolite synthesis from fly ashes. In: PROGERS Workshop on Novel Products from Combustion Residues. Morella, Spain, 2001, pp. 155-164.
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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Symptoms of arsenicosis
Original and modified clay sorbents
Leaks of acid mine waters in the Kutná Hora district (high concentrations of arsenic and iron)
