Publications by authors named "Štěpán Horník"

7 Publications

  • Page 1 of 1

Early Detection of Pancreatic Cancer in Type 2 Diabetes Mellitus Patients Based on H NMR Metabolomics.

J Proteome Res 2021 03 22;20(3):1744-1753. Epub 2021 Feb 22.

Department of Internal Medicine, 1st Faculty of Medicine of Charles University and Military University Hospital, Prague 6 16902, Czech Republic.

The association of pancreatic cancer with type 2 diabetes mellitus was investigated by H NMR metabolomic analysis of blood plasma. Concentration data of 58 metabolites enabled discrimination of pancreatic cancer (PC) patients from healthy controls (HC) and long-term type 2 diabetes mellitus (T2DM) patients. A panel of eight metabolites was proposed and successfully tested for group discrimination. Furthermore, a prediction model for the identification of at-risk individuals for future development of pancreatic cancer was built and tested on recent-onset diabetes mellitus (RODM) patients. Six of 59 RODM samples were assessed as PC with an accuracy of more than 80%. The health condition of these individuals was re-examined, and in four cases, a correlation to the prediction was found. The current health condition can be retrospectively attributed to misdiagnosed pancreatogenic diabetes or to early-stage pancreatic cancer.
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http://dx.doi.org/10.1021/acs.jproteome.0c00990DOI Listing
March 2021

Nuclear Magnetic Resonance Aerosolomics: A Tool for Analysis of Polar Compounds in Atmospheric Aerosols.

ACS Omega 2020 Sep 3;5(36):22750-22758. Epub 2020 Sep 3.

Institute of Chemical Process Fundamentals, v.v.i., The Czech Academy of Sciences, Rozvojová 1/135, Prague 6 165 02, Czech Republic.

Nuclear magnetic resonance aerosolomics was proposed as a new approach to the analysis of the water-soluble organic compound fraction in aerosol particulate matter. The identification of individual compounds is based on a comparison of precise chemical shifts in the H NMR spectrum with the signals in the standards library. For this purpose, Chenomx metabolomics software and a comprehensive spectra library of 150 compounds known from chemistry of aerosols were used. This approach enabled the identification of 60 compounds in real aerosol samples collected at a suburban site in Prague. Using the metabolomic spectra library, three new compounds were identified in aerosols for the first time, and an association of four other compounds to the atmospheric particulate matter was confirmed. The obtained concentration profiles of all identified chemical individuals were subsequently subjected to advanced statistical analysis. NMR aerosolomics clearly differentiates between summer and winter aerosol samples via multivariate statistical analysis and revealed some interesting trends in composition, according to aerosol particle size. Furthermore, the univariate statistical analysis was applied to highlight compounds responsible for the group separation, and possible sources of these compounds were suggested.
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http://dx.doi.org/10.1021/acsomega.0c01634DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7495480PMC
September 2020

Diagnosis of pancreatic cancer viaH NMR metabolomics of human plasma.

Analyst 2018 Dec;143(24):5974-5978

Department of Analytical Chemistry, University of Chemistry and Technology Prague, Prague 6, Czech Republic.

Metabolic changes induced by pancreatic cancer were investigated by 1H NMR spectroscopy of plasma samples of patients and healthy controls. The acquired data were submitted to multivariate statistical analysis providing clear discrimination between both groups. The most significant differences were found in levels of 3-hydroxybutyrate and lactate. The obtained results (100% sensitivity, 90% specificity) clearly show the potential of 1H NMR spectroscopy in pancreatic cancer diagnosis. Therefore, the NMR-based metabolomics may contribute to the early diagnosis, prevention and/or therapy of diseases in the future. On the other hand, the number of samples in the presented pilot study is limited and has to be significantly increased in the future in order to obtain solid statistical models and to confirm the current findings.
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http://dx.doi.org/10.1039/c8an01310aDOI Listing
December 2018

Xanthones Content in D. Don from Nepal.

Molecules 2018 05 3;23(5). Epub 2018 May 3.

Institute of Chemical Process Fundamentals, Czech Academy of Sciences, Rozvojová 135, 165 02 Prague, Czech Republic.

The medicinal plant D. Don was collected in Rasuwa District (Nepal) and the xanthone content of its ethyl acetate extracts was studied. The total amount of xanthones in determined by HPLC reaches almost 13 g of xanthones per 1 kg of dry matter. The identification of xanthones in was achieved by a combination of HPLC, LC⁻MS and LC⁻NMR. The final assignment of the individual chemical structures was provided by NMR, supported by preparative HPLC. In eight chromatographic peaks, four major xanthones were identified—1,3-dihydroxy-5,8-dimethoxyxanthone, 1-hydroxy-3,5,8-trimethoxyxanthone, bellidifolin (1,5,8-tri-hydroxy-3-methoxyxanthone), and decussatin (1-hydroxy-3,7,8-trimethoxyxanthone).
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http://dx.doi.org/10.3390/molecules23051067DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6102544PMC
May 2018

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 20;12:750-9. Epub 2016 Apr 20.

Institute of Chemical Process Fundamentals of the CAS, Rozvojová 135, 165 02 Praha, Czech Republic.

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 work is focused on the synthesis of acetylated 3-deoxy-3-fluoro, 4-deoxy-4-fluoro and 3,4-dideoxy-3,4-difluoro analogs of D-glucosamine and D-galactosamine via 1,6-anhydrohexopyranose chemistry. Moreover, the cytotoxicity of the target compounds towards selected cancer cells is determined.

Results: Introduction of fluorine at C-3 was achieved by the reaction of 1,6-anhydro-2-azido-2-deoxy-4-O-benzyl-β-D-glucopyranose or its 4-fluoro analog with DAST. The retention of configuration in this reaction is discussed. Fluorine at C-4 was installed by the reaction of 1,6:2,3-dianhydro-β-D-talopyranose with DAST, or by fluoridolysis of 1,6:3,4-dianhydro-2-azido-β-D-galactopyranose with KHF2. The amino group was introduced and masked as an azide in the synthesis. The 1-O-deacetylated 3-fluoro and 4-fluoro analogs of acetylated D-galactosamine inhibited proliferation of the human prostate cancer cell line PC-3 more than cisplatin and 5-fluorouracil (IC50 28 ± 3 μM and 54 ± 5 μM, respectively).

Conclusion: A complete series of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine is now accessible by 1,6-anhydrohexopyranose chemistry. Intermediate fluorinated 1,6-anhydro-2-azido-hexopyranoses have potential as synthons in oligosaccharide assembly.
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http://dx.doi.org/10.3762/bjoc.12.75DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4901990PMC
June 2016

Various extraction methods for obtaining stilbenes from grape cane of Vitis vinifera L.

Molecules 2015 Apr 8;20(4):6093-112. Epub 2015 Apr 8.

Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, v.v.i., Rozvojová 2/135, 16502 Prague 6, Czech Republic.

Grape cane, leaves and grape marc are waste products from viticulture, which can be used to obtain secondary stilbene derivatives with high antioxidant value. The presented work compares several extraction methods: maceration at laboratory temperature, extraction at elevated temperature, fluidized-bed extraction, Soxhlet extraction, microwave-assisted extraction, and accelerated solvent extraction. To obtain trans-resveratrol, trans-ε-viniferin and r2-viniferin from grape cane of the V. vinifera variety Cabernet Moravia, various conditions were studied: different solvents, using powdered versus cut cane material, different extraction times, and one-step or multiple extractions. The largest concentrations found were 6030 ± 680 µg/g dry weight (d.w.) for trans-resveratrol, 2260 ± 90 µg/g d.w. for trans-ε-viniferin, and 510 ± 40 µg/g d.w. for r2-viniferin. The highest amounts of stilbenes (8500 ± 1100 µg/g d.w.) were obtained using accelerated solvent extraction in methanol.
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http://dx.doi.org/10.3390/molecules20046093DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6272250PMC
April 2015

LC-NMR Technique in the Analysis of Phytosterols in Natural Extracts.

J Anal Methods Chem 2013 23;2013:526818. Epub 2013 Dec 23.

Institute of Experimental Botany of the ASCR, v.v.i., Isotope Laboratory, Vídeňská 1083, 14220 Prague 4, Czech Republic ; Institute of Chemical Technology Prague, Faculty of Food and Biochemical Technology, Department of Chemistry of Natural Compounds, Technická 5, 16628 Prague 6, Czech Republic.

The ability of LC-NMR to detect simultaneously free and conjugated phytosterols in natural extracts was tested. The advantages and disadvantages of a gradient HPLC-NMR method were compared to the fast composition screening using SEC-NMR method. Fractions of free and conjugated phytosterols were isolated and analyzed by isocratic HPLC-NMR methods. The results of qualitative and quantitative analyses were in a good agreement with the literature data.
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http://dx.doi.org/10.1155/2013/526818DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884959PMC
January 2014