26 (2020) Scientific papers, Series A
Permanentní URI k tomuto záznamuhttps://hdl.handle.net/10195/76706
Procházet
Článekpeer-reviewedpublished Otevřený přístup 50 years of high performance liquid chromatography: The contribution of the Department of Analytical Chemistry in Pardubice(University of Pardubice, 2020) Jandera, PavelThis article surveys the research activities and contributions of the Department of Analytical Chemistry (first at the Institute of Chemical Technology, later at the Faculty of Chemical Technology of the University of Pardubice), to the field of High Performance Liquid Chromatography in the half a century period between 1969 and 2018. The research topics investigated include various theoretical and practical analytical or preparative techniques, in agreement with the general development trends in the field. The attention is focused on the mechanism and predictive modelling of the retention and separation selectivity in the reversed-phase, organic and aqueous normal phase, ion-pairing, salting-out, micellar and mixed-mode liquid chromatography modes. The effects of the stationary phase, of the mobile phases, and of the sample structure on the retention were investigated in detail. The principal point of the research was the development and verification of the new theory of gradient elution. An important part of the recent research activities has been oriented on the theory and practical applications of the new two-dimensional liquid chromatography technique. During the past half a century, new applications of liquid chromatography were developed in the environmental analysis, in the analysis of drugs and their metabolite products, industrial dyes, intermediates, surfactants, of the phenolic antioxidants and plant oils in food and beverages; some attention being also paid to the separation of chiral compounds.Článekpeer-reviewedpublished Otevřený přístup Analysis and assessment of the achieved level of servitization in the selected chemical company – Case study(University of Pardubice, 2020) Vlčková, Vladimíra; Podškubková, LucieManufacturing companies on the B2B market are nowadays focussing more and more on servitization. Globally, 38 % of manufacturing companies have already approached it. Focusing on servitization may be advantageous for manufacturing companies because the area of services is more profitable than the area of products, and it provides more opportunities for growth. Services are also becoming a tool-facilitating sale of products, increasing the customer loyalty, and allowing companies to respond to the growing customer demands. In addition, for chemical companies in the Czech Republic, servitization represents a new opportunity of how to generate a competitive advantage; particularly, towards competitors from the South-East Asia region. Therefore, this paper first aims to assess, based on the literature search, the possibilities and concepts of new service-oriented business models in the chemical industry. Then, based on a case study, it is going to demonstrate the current servitization concept applied by a selected chemical company, perception of its importance, and potential for the future by the sales department staff.Článekpeer-reviewedpublished Otevřený přístup Application of the elements of the Industry 4.0 concept in chemical industry and comparison with other industrial areas in the Czech Republic(University of Pardubice, 2020) Košťálová, Jana; Vávra, Jan; Bergerová, VeronikaInformation and Communication Technologies (ICT) is one of the most dynamic developed areas, opening new business models and impacting efficiency and productivity. The use of ICT technology and its outcomes in other economic areas and their overall social impact is desirable to be continually evaluated. Intensive ICT developments is named as Industry 4.0 or the fourth industrial revolution, including the deployment of integrated ICT solutions, digitization, automation, robotics, intensive use of the Internet, including the Internet of Things or the Internet of Services, cyber-physical systems and artificial intelligence systems, additive printing, and other tools. The aim of the article is to determine the basic elements of Industry 4.0 and assess their use and impact on society; such an assessment being carried out in selected companies of the chemical, food, and automotive industry of the Czech Republic. The above industries are using automated systems available already for years. The specific use of elements of Industry 4.0 is influenced by industry specifications, both by using these elements and gradually introducing them to be adapted for expected conditions. In the chemical industry, the elements of Industry 4.0 are used; especially, in the digitization of the assesment of the value chain from the design phase of the product up to its production, management, and logistics. There are used elements that contribute to increased productivity, production planning tools and supply optimization. For monitoring and controlling of operational safety production operations data, such as data distributed via the Internet of Things, are shared and analyzed. Similar situation is in the food industry, whereas in the automotive industry, it is possible to take advantage of digitalisation and robotization. Based on the analysis reported herein, the situation in selected enterprises of the chemical, food and automotive industries is evaluated, a number of elements of Industry 4.0 presented and the expected trends of further development in this area outlined.Článekpeer-reviewedpublished Otevřený přístup Brown pigments with perovskite structure of SrSnO3: The role of mineralizers(University of Pardubice, 2020) Hroch, Jan; Dohnalová, ŽanetaCeramic pigments of the type SrSn0.8Mn0.2O3 were prepared by classical method. Solidstate reaction of initial components was supported by molten salts that had played role of mineralizers. The selected mineralizers (Li2CO3, NaF:NaCl (1:1), KCl, KCl:K2CO3 (1:1), and Na3AlF6) in an amount of 5 % (w/w) were used. Effect of the type of mineralizer and the calcining temperature on the colour properties, particle size distribution, morphological properties and phase composition was studied. The singlephase product was obtained at calcining temperature of 1200°C and above. A particle size of d50 was varied in the range 1.1–6.5 μm. The pigments prepared were applied into the organic matrix. With a higher calcining temperature, the brown colour of application became darker. The most interesting brown colour of pigment was eventually obtained by calcination of the reaction mixture containing the NaF:NaCl mixture.Článekpeer-reviewedpublished Otevřený přístup Classification of the alcoholic beverages by using electronic nose technique based on ultra-fast GC(University of Pardubice, 2020) Surmová, Silvie; Wiśniewska, Paulina; Śliwińska, Magdalena; Dymerski, Tomasz; Wardencki, Waldemar; Namieśnik, Jacek; Ventura, Karel; Adam, Martin; Eisner, AlešEach alcoholic beverage has its own distinct aroma and unique flavor. An Electronic nose (E-nose) is an instrumental tool which allows one to analyze the aroma of samples. This work illustrates the use of E-nose for the determination of characteristic aromas of seven different alcoholic beverages (bourbon, brandy, cognac, vodka, liqueurs made from pears, and fruit spirits made from lemon). The following chemometrics methods for the data analysis were employed for the classification of alcoholic beverages: principal component analysis (PCA), discriminant factorial analysis (DFA, and soft independent modelling of class analogies (SIMCA). The results show that chemometrics methods PCA and DFA allow us the determination of the individual alcoholic groups of fruit spirits, bourbon, cognac, and brandy but there is a difficulty with separation of liqueur, gin, and vodka points from one group. Only the SIMCA method allowed to distinguish the point belonging to all groups without any approximation of graph fragments.Článekpeer-reviewedpublished Otevřený přístup Comparison of HPLC and electrochemical determination of 5-hydroxymethylfurfural in honey and mead samples(University of Pardubice, 2020) Pravcová, Kateřina; Mikysek, Tomáš; Česlová, LenkaThe content of 5-hydroxymethylfurfural (HMF) in honey and mead is strongly influenced by the technological process of these products and could be used as the parameter of choice to assess the quality of honey and mead. Therefore, the aim of this work was the comparison of well established reversed-phase high performance liquid chromatography (RP-HPLC) with voltammetric determination at the glassy carbon electrode. The final HPLC separation was performed on an Ascentis Express C18 column (150 × 3 mm, 2.7 μm) using isocratic elution with 10 % methanol in water. In total, 9 samples (6 honeys and 3 meads) were used for determination of the content of HMF.Článekpeer-reviewedpublished Otevřený přístup Comparison of two different approaches for determination of biomimetic activity of selected copper complexes(University of Pardubice, 2020) Sýs, Milan; Novák, Miroslav; Mikysek, TomášIn this article, an evaluation of the catecholase activity of the recently synthesized copper complexes towards dopamine is reported based on a comparison of the performance of two different techniques – UV-Vis spectrophotometry and hydrodynamic amperometry. The results obtained were confronted with those published for natural tyrosinase enzyme (isolated from mushroom 'Agaricus bisporus') and defined by Michaelis–Menten kinetics model. Besides a finding of comparable catalytic activity for the copper catalysts tested, it has to be emphasised that all the measurements have been performed in methanol, in which tyrosinase enzyme loses its catalytic activity.Článekpeer-reviewedpublished Otevřený přístup Determination and profiling of fatty acids in dried breast milk spot(University of Pardubice, 2020) Kopčil, Michal; Janeček, Radim; Fukasová, Petra; Kanďár, RomanA method was developed for the determination of fatty acids in dried breast milk spot and plasma using gas chromatography with mass spectrometry and flame ionization detection. The breast milk was sampled onto a collection paper treated with butylated hydroxytoluene. Fatty acids were derivatized with acetyl chloride in methanol to form fatty acids methyl esters. Our results indicate that the concentrations of fatty acids found in human milk can be used for assessing the intake and needs of infants.Článekpeer-reviewedpublished Otevřený přístup Determination of oleocanthal in extra virgin olive oils using high-performance liquid chromatography(University of Pardubice, 2020) Klikarová, Jitka; Jakubů, Klára; Česlová, Lenka; Fischer, JanThis work is focused on the determination of oleocanthal in nineteen extra virgin olive oils plus one sample of the olive pomace oil using reversed-phase high-performance liquid chromatography (RP-HPLC) coupled either with a spectrophotometric detector (set at λ = 275 nm) or a mass spectrometer. Sample pre-treatment including a two-step liquidliquid extraction by polar solvents was performed and thoroughly optimised. The extract of oleocanthal was analysed using Poroshell 120 EC-C18 column (150 × 3 mm, i.d. 2.7 μm) in combination with the binary mobile phases consisting of water and acetonitrile. The sum of oleocanthal hemiacetals was quantified by the calibration curve method and the standard addition method. The content of oleocanthal in the samples was found within a range of 2.8–27.2 mg/100 g. It is shown that the method can also be used for evaluation of the olive oil quality.Článekpeer-reviewedpublished Otevřený přístup Determination of selected pesticides in honey and mead by HPLC(University of Pardubice, 2020) Pravcová, Kateřina; Macháčková, Nikola; Česlová, LenkaThe aim of this study was to monitor selected pesticides (Carbendazim, Acetamiprid, Thiacloprid, Epoxiconazole, Metconazole, Prochloraz, Deltamethrin, and T-fluvalinate) in honey and mead samples by reversed-phase liquid chromatography with spectrophotometric detection after QuEChERS extraction. The final separation was performed on YMC triart C18 column with mobile phase consisting of water and acetonitrile. The identification of selected pesticides in samples of honey and mead was performed on the basis of retention times conformity with the standards and quantification using the calibration curve method.Článekpeer-reviewedpublished Otevřený přístup Effect of long-term storage on degradation of 21 phenolic compounds in green tea(University of Pardubice, 2020) Kalendová, Petra; Meloun, Milan; Česlová, LenkaThe storage resistance of 21 selected phenolic compounds present in ten samples of commercially available green tea was monitored using the HPLC/MS/MS over a 16 weeks period using multivariate statistical analysis to compare the different types of packaging. The HPLC/MS/MS method with the computer-aided analysis enabled the fast evaluation of the long-time storage resistance of valuable compounds present in green tea, yielding useful information to customers about their degradation, which affected the sensory properties of the green tea, such as taste and colour. An explanatory data analysis provided an initial visualization of the multivariate data matrix while a factor analysis, hierarchical cluster analysis and discriminant analysis enabled the classification of the green tea samples into clusters according to the storage resistance of the compounds of interest. A significant reduction in the content of all monitored compounds was indicated after 3 weeks of storage, which was also found to be dependent on the type of packaging used. The samples in a plastic box were more stable during long-time storage in comparison to the samples in a paper box.Článekpeer-reviewedpublished Otevřený přístup The effect of partial substitution on the hydroxyapatite properties(University of Pardubice, 2020) Šimková, Lenka; Šulcová, PetraThe aim of this research was the synthesis of hydroxyapatite powders of the (Ca10(PO4)6(OH)2) type by a precipitation method with the following synthesis conditions: the ratio of Ca/P = 1, pH 7). Another main target of this work was a partial substitution of calcium in the hydroxyapatite structure with selected doping elements (magnesium, zinc, aluminium, strontium) with the subsequent assessment of the effect of such replacements on the structure and physicochemical properties of hydroxyapatite. The synthesized powders were characterized by X-ray diffraction (XRD), in order to identify the phase composition and crystallinity, and by scanning electron microscopy (SEM) to study the morphology of synthesized powder. Finally, to define the anticorrosive purposes, preliminary corrosion tests were also performed.Článekpeer-reviewedpublished Otevřený přístup Electrochemical behaviour of substances responsible for the vanilla aroma and a study of their structural analogues at the glassy carbon electrode(University of Pardubice, 2020) Farag, Amir Shaaban; Švancara, Ivan; Sýs, MilanIn this article, the electrochemical behaviour of vanillin, ethylvanilin, and of their structural analogues has been studied at the glassy carbon electrode using cyclic voltammetry. Based on experimental observations and information from literature, the respective electrode reaction pathways were proposed according to the ECE mechanisms in all cases, when up to three oxidation products were identified from one reactant. It has been found that the electrode oxidation of vanillin and ethylvanillin occurs in one single step, followed by hydrolysis in ortho-position and/or cleavage of the corresponding alcohol, giving rise to two electrochemically reversible oxidation products.Článekpeer-reviewedpublished Otevřený přístup Influence of aniline oxidative-polymerization conditions and the type of dopant on PANI particles morphology(University of Pardubice, 2020) Chmelík, Jan; Machotová, Jana; Slang, Stanislav; Zelenka, Jiří; Vlček, MiroslavThe oxidative polymerization of aniline was studied in order to determine a favourable combination of reaction conditions leading to polyaniline (PANI) nano-sized particles of high aspect ratio and narrow polydispersity. The dimensions and morphology of PANI particles were tuned by the following reaction conditions: oxidant type, reaction temperature, reaction time, way of stirring the reaction mixture, and dopant type. The desired rod-shaped PANI morphology was achieved in the case of aniline oxidative polymerization carried out at 50 °C for 24 h and at constant stirring with a magnetic unit, when using (NH4)2S2O8 as the oxidant. The best aspect ratio under the above-mentioned conditions was reached by using HCl, p-toluenesulphonic acid, and H2SO4; all being used as dopants.Článekpeer-reviewedpublished Otevřený přístup Life cycle assessment of Ni-alumina and V-alumina catalysts for catalytic oxidative dehydrogenation of ethane(University of Pardubice, 2020) Audrlická Vavrušová, Lenka; Krejčová, Anna; Baťa, Robert; Pouzar, MiloslavIn this work, the Life Cycle Assessment (LCA) analysis “from the gate to the gate” is used to compare environmental effects of the Ni- or V-alumina catalyst preparation and their use in heterogeneous catalytic oxidative dehydrogenation of ethane (C2-ODH) as the way of ethane production in laboratory conditions. The system boundary was defined as “laboratory production of catalysts and ethylene”, the functional unit set up as “one-year production of ethene under specific laboratory conditions”. The TRACI methodology and ILCD database, as well as laboratory data, were used in the study. The inputs of the product system were found to be higher for the V-alumina, then for Ni-alumina for resources, deposited goods, radioactive waste, and stockpiles. Results of the Life cycle impact analysis (LCIA) revealed worse environmental impacts for the V-alumina in all evaluated end-points. The V-alumina was more demanding in the view of total emission from the product system to the environmental compartments, as groups of emission to air or categories as Global Warming Potential (GWP), Acidification, Ozone Depletion and Human Health Cancer (HHC) parameters. The LCA analysis of the laboratory catalytic dehydrogenation of ethane has indicated that the Ni-alumina is a better choice in terms of environmental impacts.Článekpeer-reviewedpublished Otevřený přístup Multi-element analysis of urine using octopole collision cell ICP-Q-MS(University of Pardubice, 2020) Patočka, Jan; Husáková, LenkaThis study presents an octopole collision cell ICP-Q-MS methodology for interferencefree multi-element analysis of urine. The attention was paid to the performance of the 4th generation octopole-based collision cell in the Agilent 7900 Series ICP-MS in He-mode with kinetic energy discrimination (KED) for the elimination of polyatomic ions that are the main source of spectral interferences during the analysis of numerous elements, such as V, Cr, Fe, Co, Ni, Cu, As, Se, etc. However, collision mode using helium gas had the additional benefit of reducing the response for major matrix elements, thereby effectively raising the upper linear calibration range for these elements. Afterwards, the major elements could be determined in the same analytical run as the trace elements in the range of analytes typically reported in urine samples. The analysis was carried out after the initial 10-fold dilution of the urine samples and Rh was used as an internal standard to diminish non-spectral interferences originating from the sample matrix. Due to the excellent detection capability and practically no interferences, the method could be finally employed for analysis of 26 elements. Accuracy of the method was checked by the regular use of certified reference materials SeronormTM Trace Elements Urine Blank Lot OK4636 and SeronormTM Trace Elements Urine L-1 Lot 1011644, as well as by accurate isotope ratios measurements if possible.Článekpeer-reviewedpublished Otevřený přístup Optimization of synthesis and basic characterization of 55PbO-10ZnO-35P2O5 glass modified by CoO(University of Pardubice, 2020) Smolík, Jan; Knotek, Petr; Schwarz, Jiří; Kutálek, Petr; Pouzar, Miloslav; Černošková, EvaThis work is focused on the optimization of preparation of Pb-rich 55PbO-10ZnO-35P2O5 phosphate glass modified by cobalt(II) dioxide, CoO, exhibiting the absorption bands in the visible region. The most suitable glasses were obtained using so-called wet method, which means using dilute H3PO4 and Co(NO3)2∙6H2O. The prepared glasses were optically transparent, homogeneous in the whole volume, without bubbles, defects, cracks or crystals. Consequently, the glasses have been characterized using different methods in order to determine properties, such as the density, molar volume, structure, thermal properties (glass transition temperature and coefficient of thermal expansion), optical properties (colour change and absorption in the visible region), or electrical properties (DC conductivity). The influence of the content of CoO (0–3.55 mol. %) on the selected properties is discussed in detail. In practical applications, CoO-modified glasses are used especially in blue coloured glasses or as optical filters, acid-base or radiation-sensitive indicators, and as possible candidate for tunable solid-state lasers matrix and the materials suitable for direct laser writing at a wavelength of 532 nm.Článekpeer-reviewedpublished Otevřený přístup Oxidative dehydrogenation of propane over the boron-nitride catalysts(University of Pardubice, 2020) Sajad, MehranBoron nitride (BN) has been found as a competitor for currently used catalysts employed in the oxidative dehydrogenation (ODH) of light alkanes, offering a high productivity of their transformation into olefins, low CO2 emission, and thermal stability under the oxidative atmosphere. In this research, different BNs were synthesized by thermal treatment of different mixtures of precursors at different temperatures. For comparison, commercial BNs were tested as well. Catalytic behavior in propane ODH was investigated for the reaction mixture at atmospheric pressure. BN-based catalysts were characterized by powder XRD, SEM, EDS, XPS, Raman spectroscopy, and N2-adsorption/desorption isotherms, in order to obtain details on crystallinity, morphology, surface chemistry, chemical analysis, textural properties, etc. The productivity obtained for the prepared catalysts reached 1.4 golefins h−1 gcat −1, exhibiting higher values for the desired products, compared to the other studies with commercial products.Článekpeer-reviewedpublished Otevřený přístup Possibilities of reducing the volume of plastic packaging for consumer chemicals(University of Pardubice, 2020) Paták, Michal; Branská, Lenka; Pecinová, ZuzanaOne of the most significant environmental problems currently addressed is an effort to reduce the volume of plastic used for packaging. Theoretically, the volume of plastic packaging can be reduced in a number of ways, but not all of them are practically applicable. So far, it is not yet clear which savings options for primary plastic packaging are suitable for consumer chemicals (detergents, washing and sanitary products). This article offers one of the possible approaches for such savings. It presents the results of primary qualitative research whose main objective was to reveal innovations of primary plastic packaging for consumer chemicals that would be feasible by the manufacturer and, at the same, appreciated by customers. The research reported herein was carried out in two consecutive stages. The first one was realized in a company which can be considered a typical producer of consumer chemicala focused on the identification of possibilities to save plastic waste from primary packaging from the manufacturer's point of view. In this research, the method of semi-structured interview was used; the main respondent being the process engineer of the company. The second stage was carried out with final consumers with a focus on revealing the main environmental requirements of the final customers for primary packaging for consumer chemicals. Data collection at this stage of the research was carried out using the group discussion method. The subsequent comparison of the results from both phases of the research enabled to identify suitable environmental innovations of primary plastic packaging, as well as barriers that will have to be overcome when implementing these innovations.Článekpeer-reviewedpublished Otevřený přístup Terminal falling velocity of spherical particles moving through a Carreau purely viscous fluid(University of Pardubice, 2020) Šiška, Bedřich; Machač, IvanThe paper deals with the determination of the terminal falling velocity of solid spherical particles moving slowly through an unbounded time-independent purely viscous Carreau liquid. The relationships based on the Carreau four-parametric viscosity model are given for calculation of a sphere terminal velocity falling in the creeping flow region. The comparison of terminal velocities calculated according to these relationships with those obtained experimentally is presented. In experiments, the terminal velocity of spheres in the aqueous solutions of polymers was measured. A good agreement between the calculated and experimental values of terminal falling velocities was found.