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Adsorption and Diffusion of C.

Langmuir : the ACS journal of surfaces and colloids

Rezlerová E, Zukal A, Čejka J, Siperstein FR, Brennan JK, Lísal M.
PMID: 28689411
Langmuir. 2017 Oct 24;33(42):11126-11137. doi: 10.1021/acs.langmuir.7b01772. Epub 2017 Jul 20.

We employ grand canonical Monte Carlo and molecular dynamics simulations to systematically study the adsorption and diffusion of C

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Rezlerová E, Zukal A, Čejka J, et al. Adsorption and Diffusion of C. Langmuir. 2017;33(42):11126-11137doi: 10.1021/acs.langmuir.7b01772.
Rezlerová, E., Zukal, A., Čejka, J., Siperstein, F. R., Brennan, J. K., & Lísal, M. (2017). Adsorption and Diffusion of C. Langmuir : the ACS journal of surfaces and colloids, 33(42), 11126-11137. https://doi.org/10.1021/acs.langmuir.7b01772
Rezlerová, Eliška, et al. "Adsorption and Diffusion of C." Langmuir : the ACS journal of surfaces and colloids vol. 33,42 (2017): 11126-11137. doi: https://doi.org/10.1021/acs.langmuir.7b01772
Rezlerová E, Zukal A, Čejka J, Siperstein FR, Brennan JK, Lísal M. Adsorption and Diffusion of C. Langmuir. 2017 Oct 24;33(42):11126-11137. doi: 10.1021/acs.langmuir.7b01772. Epub 2017 Jul 20. PMID: 28689411.
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Deep Airway Inflammation and Respiratory Disorders in Nanocomposite Workers.

Nanomaterials (Basel, Switzerland)

Pelclova D, Zdimal V, Komarc M, Vlckova S, Fenclova Z, Ondracek J, Schwarz J, Kostejn M, Kacer P, Dvorackova S, Popov A, Klusackova P, Zakharov S, Bello D.
PMID: 30223600
Nanomaterials (Basel). 2018 Sep 16;8(9). doi: 10.3390/nano8090731.

Thousands of researchers and workers worldwide are employed in nanocomposites manufacturing, yet little is known about their respiratory health. Aerosol exposures were characterized using real time and integrated instruments. Aerosol mass concentration ranged from 0.120 mg/m³ to 1.840 mg/m³...

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Pelclova D, Zdimal V, Komarc M, et al. Deep Airway Inflammation and Respiratory Disorders in Nanocomposite Workers. Nanomaterials (Basel). 2018;8(9)doi: 10.3390/nano8090731.
Pelclova, D., Zdimal, V., Komarc, M., Vlckova, S., Fenclova, Z., Ondracek, J., Schwarz, J., Kostejn, M., Kacer, P., Dvorackova, S., Popov, A., Klusackova, P., Zakharov, S., & Bello, D. (2018). Deep Airway Inflammation and Respiratory Disorders in Nanocomposite Workers. Nanomaterials (Basel, Switzerland), 8(9), . https://doi.org/10.3390/nano8090731
Pelclova, Daniela, et al. "Deep Airway Inflammation and Respiratory Disorders in Nanocomposite Workers." Nanomaterials (Basel, Switzerland) vol. 8,9 (2018). doi: https://doi.org/10.3390/nano8090731
Pelclova D, Zdimal V, Komarc M, Vlckova S, Fenclova Z, Ondracek J, Schwarz J, Kostejn M, Kacer P, Dvorackova S, Popov A, Klusackova P, Zakharov S, Bello D. Deep Airway Inflammation and Respiratory Disorders in Nanocomposite Workers. Nanomaterials (Basel). 2018 Sep 16;8(9). doi: 10.3390/nano8090731. PMID: 30223600; PMCID: PMC6164906.
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STRONG INADEQUATE, an experiment for detection of small J(C,C) couplings in symmetrical molecules.

Magnetic resonance in chemistry : MRC

Blechta V, Sýkora J.
PMID: 31134675
Magn Reson Chem. 2019 Dec;57(12):1107-1120. doi: 10.1002/mrc.4897. Epub 2019 Jul 01.

A new version of the two-dimensional INADEQUATE experiment was designed for detection of small couplings between equivalent carbon atoms separated in the molecule by several bonds, where other techniques fail due to rich line splitting and mutual peak cancellation...

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Blechta V, Sýkora J. STRONG INADEQUATE, an experiment for detection of small J(C,C) couplings in symmetrical molecules. Magn Reson Chem. 2019;57(12):1107-1120doi: 10.1002/mrc.4897.
Blechta, V., & Sýkora, J. (2019). STRONG INADEQUATE, an experiment for detection of small J(C,C) couplings in symmetrical molecules. Magnetic resonance in chemistry : MRC, 57(12), 1107-1120. https://doi.org/10.1002/mrc.4897
Blechta, Vratislav, and Sýkora, Jan. "STRONG INADEQUATE, an experiment for detection of small J(C,C) couplings in symmetrical molecules." Magnetic resonance in chemistry : MRC vol. 57,12 (2019): 1107-1120. doi: https://doi.org/10.1002/mrc.4897
Blechta V, Sýkora J. STRONG INADEQUATE, an experiment for detection of small J(C,C) couplings in symmetrical molecules. Magn Reson Chem. 2019 Dec;57(12):1107-1120. doi: 10.1002/mrc.4897. Epub 2019 Jul 01. PMID: 31134675.
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6FDA-DAM:DABA Co-Polyimide Mixed Matrix Membranes with GO and ZIF-8 Mixtures for Effective CO.

Nanomaterials (Basel, Switzerland)

Jain A, Ahmad MZ, Linkès A, Martin-Gil V, Castro-Muñoz R, Izak P, Sofer Z, Hintz W, Fila V.
PMID: 33800502
Nanomaterials (Basel). 2021 Mar 08;11(3). doi: 10.3390/nano11030668.

This work presents the gas separation evaluation of 6FDA-DAM:DABA (3:1) co-polyimide and its enhanced mixed matrix membranes (MMMs) with graphene oxide (GO) and ZIF-8 (particle size of

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Jain A, Ahmad MZ, Linkès A, et al. 6FDA-DAM:DABA Co-Polyimide Mixed Matrix Membranes with GO and ZIF-8 Mixtures for Effective CO. Nanomaterials (Basel). 2021;11(3)doi: 10.3390/nano11030668.
Jain, A., Ahmad, M. Z., Linkès, A., Martin-Gil, V., Castro-Muñoz, R., Izak, P., Sofer, Z., Hintz, W., & Fila, V. (2021). 6FDA-DAM:DABA Co-Polyimide Mixed Matrix Membranes with GO and ZIF-8 Mixtures for Effective CO. Nanomaterials (Basel, Switzerland), 11(3), . https://doi.org/10.3390/nano11030668
Jain, Anand, et al. "6FDA-DAM:DABA Co-Polyimide Mixed Matrix Membranes with GO and ZIF-8 Mixtures for Effective CO." Nanomaterials (Basel, Switzerland) vol. 11,3 (2021). doi: https://doi.org/10.3390/nano11030668
Jain A, Ahmad MZ, Linkès A, Martin-Gil V, Castro-Muñoz R, Izak P, Sofer Z, Hintz W, Fila V. 6FDA-DAM:DABA Co-Polyimide Mixed Matrix Membranes with GO and ZIF-8 Mixtures for Effective CO. Nanomaterials (Basel). 2021 Mar 08;11(3). doi: 10.3390/nano11030668. PMID: 33800502; PMCID: PMC7999237.
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Hygroscopic growth and CCN activity of secondary organic aerosol produced from dark ozonolysis of γ-terpinene.

The Science of the total environment

Bouzidi H, Fayad L, Coeur C, Houzel N, Petitprez D, Faccinetto A, Wu J, Tomas A, Ondráček J, Schwarz J, Ždímal V, Zuend A.
PMID: 35026240
Sci Total Environ. 2022 Jan 10;153010. doi: 10.1016/j.scitotenv.2022.153010. Epub 2022 Jan 10.

The hygroscopic growth factor (GF) and cloud condensation nuclei (CCN) activity of secondary organic aerosol (SOA) particles produced during dark ozonolysis of γ-terpinene under different reaction conditions were investigated. The SOA particles were produced in the presence or absence...

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Bouzidi H, Fayad L, Coeur C, et al. Hygroscopic growth and CCN activity of secondary organic aerosol produced from dark ozonolysis of γ-terpinene. Sci Total Environ. 2022;153010doi: 10.1016/j.scitotenv.2022.153010.
Bouzidi, H., Fayad, L., Coeur, C., Houzel, N., Petitprez, D., Faccinetto, A., Wu, J., Tomas, A., Ondráček, J., Schwarz, J., Ždímal, V., & Zuend, A. (2022). Hygroscopic growth and CCN activity of secondary organic aerosol produced from dark ozonolysis of γ-terpinene. The Science of the total environment, 153010. https://doi.org/10.1016/j.scitotenv.2022.153010
Bouzidi, Hichem, et al. "Hygroscopic growth and CCN activity of secondary organic aerosol produced from dark ozonolysis of γ-terpinene." The Science of the total environment vol. (2022): 153010. doi: https://doi.org/10.1016/j.scitotenv.2022.153010
Bouzidi H, Fayad L, Coeur C, Houzel N, Petitprez D, Faccinetto A, Wu J, Tomas A, Ondráček J, Schwarz J, Ždímal V, Zuend A. Hygroscopic growth and CCN activity of secondary organic aerosol produced from dark ozonolysis of γ-terpinene. Sci Total Environ. 2022 Jan 10;153010. doi: 10.1016/j.scitotenv.2022.153010. Epub 2022 Jan 10. PMID: 35026240.
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Flavin-Helicene Amphiphilic Hybrids: Synthesis, Characterization, and Preparation of Surface-Supported Films.

ChemPlusChem

Jakubec M, Novák D, Zatloukalová M, Císařová I, Cibulka R, Favereau L, Crassous J, Cytryniak A, Bilewicz R, Hrbáč J, Storch J, Žádný J, Vacek J.
PMID: 33977667
Chempluschem. 2021 May 11;86(7):982-990. doi: 10.1002/cplu.202100092. Epub 2021 May 11.

This work reports on the preparation and structural characterization of flavo[7]helicene 1 (flavin-[7]helicene conjugate), which was subsequently characterized at the molecular level in either an aqueous environment or an organic phase, at the supramolecular level in the form of...

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Jakubec M, Novák D, Zatloukalová M, et al. Flavin-Helicene Amphiphilic Hybrids: Synthesis, Characterization, and Preparation of Surface-Supported Films. Chempluschem. 2021;86(7):982-990doi: 10.1002/cplu.202100092.
Jakubec, M., Novák, D., Zatloukalová, M., Císařová, I., Cibulka, R., Favereau, L., Crassous, J., Cytryniak, A., Bilewicz, R., Hrbáč, J., Storch, J., Žádný, J., & Vacek, J. (2021). Flavin-Helicene Amphiphilic Hybrids: Synthesis, Characterization, and Preparation of Surface-Supported Films. ChemPlusChem, 86(7), 982-990. https://doi.org/10.1002/cplu.202100092
Jakubec, Martin, et al. "Flavin-Helicene Amphiphilic Hybrids: Synthesis, Characterization, and Preparation of Surface-Supported Films." ChemPlusChem vol. 86,7 (2021): 982-990. doi: https://doi.org/10.1002/cplu.202100092
Jakubec M, Novák D, Zatloukalová M, Císařová I, Cibulka R, Favereau L, Crassous J, Cytryniak A, Bilewicz R, Hrbáč J, Storch J, Žádný J, Vacek J. Flavin-Helicene Amphiphilic Hybrids: Synthesis, Characterization, and Preparation of Surface-Supported Films. Chempluschem. 2021 May 11;86(7):982-990. doi: 10.1002/cplu.202100092. Epub 2021 May 11. PMID: 33977667.
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Markers of Oxidative Stress in the Exhaled Breath Condensate of Workers Handling Nanocomposites.

Nanomaterials (Basel, Switzerland)

Pelclova D, Zdimal V, Schwarz J, Dvorackova S, Komarc M, Ondracek J, Kostejn M, Kacer P, Vlckova S, Fenclova Z, Popov A, Lischkova L, Zakharov S, Bello D.
PMID: 30103442
Nanomaterials (Basel). 2018 Aug 10;8(8). doi: 10.3390/nano8080611.

Researchers in nanocomposite processing may inhale a variety of chemical agents, including nanoparticles. This study investigated airway oxidative stress status in the exhaled breath condensate (EBC). Nineteen employees (42.4 ± 11.4 y/o), working in nanocomposites research for 18.0 ±...

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Pelclova D, Zdimal V, Schwarz J, et al. Markers of Oxidative Stress in the Exhaled Breath Condensate of Workers Handling Nanocomposites. Nanomaterials (Basel). 2018;8(8)doi: 10.3390/nano8080611.
Pelclova, D., Zdimal, V., Schwarz, J., Dvorackova, S., Komarc, M., Ondracek, J., Kostejn, M., Kacer, P., Vlckova, S., Fenclova, Z., Popov, A., Lischkova, L., Zakharov, S., & Bello, D. (2018). Markers of Oxidative Stress in the Exhaled Breath Condensate of Workers Handling Nanocomposites. Nanomaterials (Basel, Switzerland), 8(8), . https://doi.org/10.3390/nano8080611
Pelclova, Daniela, et al. "Markers of Oxidative Stress in the Exhaled Breath Condensate of Workers Handling Nanocomposites." Nanomaterials (Basel, Switzerland) vol. 8,8 (2018). doi: https://doi.org/10.3390/nano8080611
Pelclova D, Zdimal V, Schwarz J, Dvorackova S, Komarc M, Ondracek J, Kostejn M, Kacer P, Vlckova S, Fenclova Z, Popov A, Lischkova L, Zakharov S, Bello D. Markers of Oxidative Stress in the Exhaled Breath Condensate of Workers Handling Nanocomposites. Nanomaterials (Basel). 2018 Aug 10;8(8). doi: 10.3390/nano8080611. PMID: 30103442; PMCID: PMC6116291.
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Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations.

Physical chemistry chemical physics : PCCP

Moučka F, Svoboda M, Lísal M.
PMID: 28613298
Phys Chem Chem Phys. 2017 Jun 28;19(25):16586-16599. doi: 10.1039/c7cp02121f.

To address the high salinity of flow-back water during hydraulic fracturing, we have studied the equilibrium partitioning of NaCl and water between the bulk phase and clay pores. In shale rocks, such a partitioning can occur between fractures with...

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Moučka F, Svoboda M, Lísal M. Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations. Phys Chem Chem Phys. 2017;19(25):16586-16599doi: 10.1039/c7cp02121f.
Moučka, F., Svoboda, M., & Lísal, M. (2017). Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations. Physical chemistry chemical physics : PCCP, 19(25), 16586-16599. https://doi.org/10.1039/c7cp02121f
Moučka, Filip, et al. "Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations." Physical chemistry chemical physics : PCCP vol. 19,25 (2017): 16586-16599. doi: https://doi.org/10.1039/c7cp02121f
Moučka F, Svoboda M, Lísal M. Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations. Phys Chem Chem Phys. 2017 Jun 28;19(25):16586-16599. doi: 10.1039/c7cp02121f. PMID: 28613298.
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Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation.

Journal of hazardous materials

Veselská V, Fajgar R, Číhalová S, Bolanz RM, Göttlicher J, Steininger R, Siddique JA, Komárek M.
PMID: 27450335
J Hazard Mater. 2016 Nov 15;318:433-442. doi: 10.1016/j.jhazmat.2016.07.002. Epub 2016 Jul 04.

This study investigates the mechanisms of Cr(VI) adsorption on natural clay (illite and kaolinite) and synthetic (birnessite and ferrihydrite) minerals, including its speciation changes, and combining quantitative thermodynamically based mechanistic surface complexation models (SCMs) with spectroscopic measurements. Series of...

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Veselská V, Fajgar R, Číhalová S, et al. Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation. J Hazard Mater. 2016;318:433-442doi: 10.1016/j.jhazmat.2016.07.002.
Veselská, V., Fajgar, R., Číhalová, S., Bolanz, R. M., Göttlicher, J., Steininger, R., Siddique, J. A., & Komárek, M. (2016). Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation. Journal of hazardous materials, 318433-442. https://doi.org/10.1016/j.jhazmat.2016.07.002
Veselská, Veronika, et al. "Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation." Journal of hazardous materials vol. 318 (2016): 433-442. doi: https://doi.org/10.1016/j.jhazmat.2016.07.002
Veselská V, Fajgar R, Číhalová S, Bolanz RM, Göttlicher J, Steininger R, Siddique JA, Komárek M. Chromate adsorption on selected soil minerals: Surface complexation modeling coupled with spectroscopic investigation. J Hazard Mater. 2016 Nov 15;318:433-442. doi: 10.1016/j.jhazmat.2016.07.002. Epub 2016 Jul 04. PMID: 27450335.
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Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements.

The Journal of chemical physics

Nakajima K, Nakanishi S, Lísal M, Kimura K.
PMID: 27004888
J Chem Phys. 2016 Mar 21;144(11):114702. doi: 10.1063/1.4943887.

Elemental depth profiles of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnMIM][TFSI], n = 4, 6, 8) are measured using high-resolution Rutherford backscattering spectroscopy (HRBS). The profiles are compared with the results of molecular dynamics (MD) simulations. Both MD simulations and HRBS measurements show...

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Nakajima K, Nakanishi S, Lísal M, et al. Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements. J Chem Phys. 2016;144(11):114702doi: 10.1063/1.4943887.
Nakajima, K., Nakanishi, S., Lísal, M., & Kimura, K. (2016). Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements. The Journal of chemical physics, 144(11), 114702. https://doi.org/10.1063/1.4943887
Nakajima, Kaoru, et al. "Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements." The Journal of chemical physics vol. 144,11 (2016): 114702. doi: https://doi.org/10.1063/1.4943887
Nakajima K, Nakanishi S, Lísal M, Kimura K. Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements. J Chem Phys. 2016 Mar 21;144(11):114702. doi: 10.1063/1.4943887. PMID: 27004888.
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Synthesis and in vitro cytotoxicity of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine.

Beilstein journal of organic chemistry

Horník Š, Červenková Šťastná L, Cuřínová P, Sýkora J, Káňová K, Hrstka R, Císařová I, Dračínský M, Karban J.
PMID: 27340467
Beilstein J Org Chem. 2016 Apr 20;12:750-9. doi: 10.3762/bjoc.12.75. eCollection 2016.

BACKGROUND: Derivatives of D-glucosamine and D-galactosamine represent an important family of the cell surface glycan components and their fluorinated analogs found use as metabolic inhibitors of complex glycan biosynthesis, or as probes for the study of protein-carbohydrate interactions. This...

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Horník Š, Červenková Šťastná L, Cuřínová P, et al. Synthesis and in vitro cytotoxicity of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine. Beilstein J Org Chem. 2016;12:750-9doi: 10.3762/bjoc.12.75.
Horník, �. �., Červenková Šťastná, L., Cuřínová, P., Sýkora, J., Káňová, K., Hrstka, R., Císařová, I., Dračínský, M., & Karban, J. (2016). Synthesis and in vitro cytotoxicity of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine. Beilstein journal of organic chemistry, 12750-9. https://doi.org/10.3762/bjoc.12.75
Horník, Štěpán, et al. "Synthesis and in vitro cytotoxicity of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine." Beilstein journal of organic chemistry vol. 12 (2016): 750-9. doi: https://doi.org/10.3762/bjoc.12.75
Horník Š, Červenková Šťastná L, Cuřínová P, Sýkora J, Káňová K, Hrstka R, Císařová I, Dračínský M, Karban J. Synthesis and in vitro cytotoxicity of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine. Beilstein J Org Chem. 2016 Apr 20;12:750-9. doi: 10.3762/bjoc.12.75. eCollection 2016. PMID: 27340467; PMCID: PMC4901990.
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The effect of deoxyfluorination and .

Organic & biomolecular chemistry

Hamala V, Červenková Šťastná L, Kurfiřt M, Cuřínová P, Balouch M, Hrstka R, Voňka P, Karban J.
PMID: 33949602
Org Biomol Chem. 2021 May 26;19(20):4497-4506. doi: 10.1039/d1ob00497b.

Fully acetylated deoxyfluorinated hexosamine analogues and non-fluorinated 3,4,6-tri-O-acylated N-acetyl-hexosamine hemiacetals have previously been shown to display moderate anti-proliferative activity. We prepared a set of deoxyfluorinated GlcNAc and GalNAc hemiacetals that comprised both features: O-acylation at the non-anomeric positions with...

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Hamala V, Červenková Šťastná L, Kurfiřt M, et al. The effect of deoxyfluorination and . Org Biomol Chem. 2021;19(20):4497-4506doi: 10.1039/d1ob00497b.
Hamala, V., Červenková Šťastná, L., Kurfiřt, M., Cuřínová, P., Balouch, M., Hrstka, R., Voňka, P., & Karban, J. (2021). The effect of deoxyfluorination and . Organic & biomolecular chemistry, 19(20), 4497-4506. https://doi.org/10.1039/d1ob00497b
Hamala, Vojtěch, et al. "The effect of deoxyfluorination and ." Organic & biomolecular chemistry vol. 19,20 (2021): 4497-4506. doi: https://doi.org/10.1039/d1ob00497b
Hamala V, Červenková Šťastná L, Kurfiřt M, Cuřínová P, Balouch M, Hrstka R, Voňka P, Karban J. The effect of deoxyfluorination and . Org Biomol Chem. 2021 May 26;19(20):4497-4506. doi: 10.1039/d1ob00497b. PMID: 33949602.
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Showing 1 to 12 of 34 entries