rss_2.0Polish Journal of Chemical Technology FeedSciendo RSS Feed for Polish Journal of Chemical Technologyhttps://sciendo.com/journal/PJCThttps://www.sciendo.comPolish Journal of Chemical Technology 's Coverhttps://sciendo-parsed-data-feed.s3.eu-central-1.amazonaws.com/60932451955e9e019fdc229b/cover-image.jpg?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Date=20220520T180545Z&X-Amz-SignedHeaders=host&X-Amz-Expires=604799&X-Amz-Credential=AKIA6AP2G7AKDOZOEZ7H%2F20220520%2Feu-central-1%2Fs3%2Faws4_request&X-Amz-Signature=97a1122c92ee49d0df4fa185496b81881ccc7bb185244fdaf43dbb8aa76c0076200300Molecular docking, theoretical calculations, synthesis of Ru(III), Pd(II) and VO(II) complexes and activity determination as antibacterial and antioxidanthttps://sciendo.com/article/10.2478/pjct-2022-0005<abstract> <title style='display:none'>Abstract</title> <p>Molecular modeling calculations were used to validate 3D structures of new complexes of Ru(III), Pd(II) and VO(II) ions chelated with (E)-2-(phenylamino)-N-(pyridine-2-yl)methylene)acetohydrazide ligand. Furthermore, the calculations were used to estimate selected electronic chemical descriptors which are responsible for the biological activity. The first insight of the compound activity as antibacterial was evaluated by molecular docking analysis. The titled models showed stable binding towards lanosterol 14 alpha-demethylase (CYP51) enzyme of <italic>E. coli</italic>, indicating their inhibition effect toward bacterial growth. Structural study of the ligand and Ru(III), Pd(II) and VO(II) chelates was done using elemental analysis, FT-IR, <sup>1</sup>H-NMR techniques. Furthermore, complexes were physically investigated based on magnetic moment, molar conductance, electronic spectroscopic and thermal analysis techniques. The antibacterial study of the synthesized compounds screened against both Gram-positive and Gram-negative bacteria revealed that these compounds display remarkable antibacterial activity and can be used as therapeutic drugs for pathogenic bacterial diseases. All complexes and ligand showed good scavenging activities which indicate a promising result for their applications as antioxidants.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00Synthesis, molecular modelling and antibacterial activity of 4-aryl-thiosemicarbazideshttps://sciendo.com/article/10.2478/pjct-2022-0006<abstract> <title style='display:none'>Abstract</title> <p>N-Substituted phenyl/cyclohexyl-2-(pyridine-4-carbonyl) hydrazine-1-carbothioamides (2a–r) were synthesized, characterized by spectral and analytical data. The compounds were evaluated for antibacterial activity by the disc diffusion method. Most of the compounds showed activity against Gram-positive bacteria. Compound 2h with 4-Sulfapyrimidine phenyl substitution was found to be the most promising candidate, active against Gram-positive and methicillin-resistant <italic>Staphylococcus aureus</italic> (MRSA) strains with minimum inhibitory concentration (MIC) of (2–7 μg/mL). From the docking study, we predicted that compounds (2r, 2g, 2h, 2o, 2p and 2e) possess better antibacterial activity by having a good binding affinity with target protein and they could be used as potential drugs as antimicrobials. Amongst all the docked compounds, the compound 2h presented near binding affinity &amp; interaction docking score with DNA gyrase enzymes with reference to ciprofloxacin.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00An analytical model for wicking in porous media based on statistical geometry theoryhttps://sciendo.com/article/10.2478/pjct-2022-0002<abstract> <title style='display:none'>Abstract</title> <p>In this work, an analytical model describing liquid wicking phenomenon in porous media was constructed, based on the statistical geometry theory and the fractal theory. In the model, a new structure-property relationship, depicted by specific surface, porosity, tortuosity, pore fractal dimension, maximum pore size of the porous media, was introduced into the energy conservation equation. According to the theoretical model, the accumulated imbibition weight in porous media was achieved, and the predictions were verified by available experimental data published in different literatures. Besides, structure parameters influencing the imbibition process upon approaching equilibrium height were discussed. The model and results in this work are useful for the application of porous media in scientific research and industry.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00Preparation of hexamethylol melamine resin with low crystallization water and low viscosity for hexamethylol melamine/polyvinyl alcohol composite membranehttps://sciendo.com/article/10.2478/pjct-2022-0007<abstract> <title style='display:none'>Abstract</title> <p>Hexamethylol melamine resins (HMM) with low crystallization water content and low viscosity were prepared by inhibiting the condensation polymerization of low hexamethylol melamine. The effects of catalyst, pH, formalde-hyde/melamine ratio, reaction temperature and time on the synthesis parameters of HMM were investigated. The results showed that the sample (HMM8) synthesized with Na<sub>2</sub>CO<sub>3</sub>-NaHCO<sub>3</sub> as catalyst had the crystallization water content lower than 10%, being with a viscosity of about 0.26 Pa·s. The melting temperature of HMM8/polyvinyl alcohol (PVA) curing system was about 164.3 °C. It was found that the higher the amount of formaldehyde, the greater the hydroxyl methyl bounded to each triazine ring. Compared with the traditional melamine formaldehyde resin which had the crystallization water content of about 20–30%, the production of this resin was expected to reduce the energy consumption of industrial reaction, while the resin with 10% crystallization water content was more conducive to the development of alloying HMM/PVA composite membrane.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00Electrochemical synthesis of Zinc oxide/polymer/phosphotungstic acid composites for a UV detectorhttps://sciendo.com/article/10.2478/pjct-2022-0003<abstract> <title style='display:none'>Abstract</title> <p>ZnO is an ideal material for UV detection. However, due to the surface effect of ZnO, the photosensitivity of the ZnO based UV detector needs to be improved. In this study, we deposited a hydroxyl group functionalized (3,4-propylenethiophene) polymer (PProDOT-OH) film onto a hydrothermally grown ZnO nanoarray by electro-chemical deposition method to prevent the corrosion of ZnO by phosphotungsten acid (PWA), and then PWA was drip-coated on the composite film to prepare the ZnO/PProDOT-OH/PWA composite based UV detector. The structure and morphology of the composite were characterized by SEM, UV–vis, FT-IR, XRD, Raman, EDS, XPS analysis, illustrating the phosphotungstic acid was uniformly coated on ZnO/PProDOT-OH surface and confirming the composite was successfully synthesized. The UV detection performance was studied through preparing a UV detector with the composite material and results indicate that the introduction of PWA could enhance the responsivity of the ZnO/PProDOT-OH composite-based UV detector.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00Facile synthesis and anticancer activity of novel dihydropyrimidinone derivativeshttps://sciendo.com/article/10.2478/pjct-2022-0004<abstract> <title style='display:none'>Abstract</title> <p>The enaminone, (2<italic>E</italic>)-3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl) prop-2-en-1-one was prepared by refluxing 3,4,5-trimethoxy acetophenone with dimethylformamide dimethylacetal (DMF–DMA) without solvent for 12 h. The dihydropyrimidinone derivatives (1–9) were prepared by reacting enaminone, substituted benzaldehydes and urea in glacial acetic acid. The compounds (1–9) were synthesized in significant yield using one step multicomponent reaction. Structures of all the novel synthesized compounds were characterized and confirmed by various spectroscopic methods. The compounds were evaluated for their anti-cancer activity against HepG2 cancer cell line. Compound 9 displayed significant anti-cancer activity. During the apoptotic assay, it showed a significant increase in necrosis from 1.97% to 12.18% as compared to the control. Mechanism of anti-proliferation was performed by cell cycle distribution assay, which showed a decrease in G2+M from 12.90 to 8.13 as compared to control.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00Study on NH-SCR of Cerium-based Substances in Rare Earth Concentrates from Bayan Obohttps://sciendo.com/article/10.2478/pjct-2022-0001<abstract> <title style='display:none'>Abstract</title> <p>In this paper, CePO<sub>4</sub> and CeCO<sub>3</sub>F were prepared by hydrothermal synthesis based on the ratio of bastnaesite to monazite in the process mineralogy of Baiyun Ebo rare earth concentrate. A comparison of the two treatments, ball milling and ball milling sulphation, revealed that the denitrification efficiency of the catalysts treated with ball milling sulphation increased by 20 percentage points, compared to those treated without sulphation, with denitrification efficiencies of up to 80%. The surface properties, redox properties and catalytic mechanism of the samples before and after the sulphation treatment were analyzed, by using XRD, NH<sub>3</sub>-TPD, H<sub>2</sub>-TPR, XPS and in situ IR characterization. The results showed that the CeF<sub>3</sub> diffraction peaks in the XRD patterns disappeared in the sulphated samples, NH<sub>3</sub>-TPD showed that the adsorption capacity of NH<sub>3</sub> on the surface of the samples was enhanced, and the introduction of sulphuric acid provided a large number of acidic sites on the catalyst surface, among which the Lewis acidic sites might be more favorable for the promotion of SCR reaction. The acidification of sulphuric acid greatly increases the redox capacity of the catalyst, and the interconversion between Ce<sup>n+</sup> was enhanced. XPS showed a significant increase in the amount of adsorbed oxygen on the surface of the sample. The presence of -NO<sub>2</sub>, an important intermediate in the L-H mechanism, was also detected by IR analysis. reactant species during the L-H mechanism reaction were monodentate nitrate, bridged nitrate and NH<sub>4</sub><sup>+</sup> species produced by NH<sub>3</sub> adsorption on the Brønsted acidic site of the catalyst surface.</p> </abstract>ARTICLE2022-04-13T00:00:00.000+00:00Preparation of α-damasconehttps://sciendo.com/article/10.2478/pjct-2019-0009<abstract><title style='display:none'>Abstract</title><p>α-Damascone is widely used in perfumes. However, the manufacture of α-damascone remains challenging owing to the limitations of current production processes. Herein, α-damascone was successfully synthesized from α-ionone using a new route involving only four steps, namely oximization, epoxidation, dehydration, and reduction. The total yield was 54.9% with a final chemical purity of 97% (by GC). Only water, cyclohexane, and ethanol were used in the reactions except in the purification step, and all solvents could be recycled. The structures of the intermediates and target compound were identified by <sup>1</sup>H NMR and <sup>13</sup>C NMR analyses and MS experiments. This route is a simple and successful method for the industrial preparation of α-damascone.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Use of blackcurrant and chokeberry press residue in snack productshttps://sciendo.com/article/10.2478/pjct-2019-0003<abstract><title style='display:none'>Abstract</title><p>Fruit and vegetable processing by-products, undervalued until recently, are rich sources of nutrients. This study investigated properties of extruded corn puffs with addition (5–20%) of blackcurrant or chokeberry pressings. We assessed expansion rate, water absorption index (WAI) and water solubility index (WSI) of the produced extru-dates, the concentration of polyphenols, and antioxidant activity measured by FRAP method and ABTS method. The puffs with addition of chokeberry pressings had higher WSI values, higher phenolic acids, flavonols, and anthocyanins content, and higher antioxidant activity than puffcorn with addition of blackcurrant pressings. The corn puffs with addition of fruit pressings contained much higher concentrations of phenolic compounds and were characterized by much higher antioxidant activity than pure puffcorn. This confirms the usefulness of addition of such fruit processing by-products in order to manufacture functional food.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Phosphorus pentoxide from Kazakhstan phosphorus as a base for production of polyphosphoric acids (PPA) in the cascade reactors systemhttps://sciendo.com/article/10.2478/pjct-2019-0005<abstract><title style='display:none'>Abstract</title><p>The polyphosphoric acids (PPA) were synthesized in a cascade reactors system from P<sub>2</sub>O<sub>5</sub> obtained from the burning of Kazakh phosphorus. Presented system provides guidelines for the PPA production process using phosphoric acids only at concentrations above 100% (in conversion to H<sub>3</sub>PO<sub>4</sub>). Polyphosphoric acids are processed in a cascade reactors system, where the in 1<sup>st</sup> concentration of PPA is increased by addition of P2O<sub>5</sub>, while in the 2<sup>nd</sup> reactor PPA is diluted with the use of 85% phosphoric acid. Produced PPA can be obtained in the 100–118% range and is characterized by high chemical purity due to the reduction of the corrosivity of the reaction, which results in very low content of iron (below 2 ppm Fe).</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00The analysis of distribution of the reaction mixture in ammonia oxidation reactorhttps://sciendo.com/article/10.2478/pjct-2019-0002<abstract><title style='display:none'>Abstract</title><p>This article describes the influence of various design modifications of the ammonia oxidation reactor operating in nitric acid plant TKIV in Kędzierzyn-Koźle on flow distribution of an air-ammonia mixture. The CFD (Computational Fluid Dynamics) simulations of turbulent flow were carried out with SST k-ω turbulence model to close the system of RANS (Reynolds Averaged Navier-Stokes) equations. The simulation results show that the properly selected perforated plate screen and the conical diffuser ensure uniform flow of gas on the ammonia oxidation catalysts and on the catalysts for nitrous oxide decomposition. It was proved experimentally achieving uniform temperature of nitrous gases in different locations under the catalytic gauzes and high efficiency of ammonia oxidation and nitrous oxide decomposition</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Inulin as an effectiveness and safe ingredient in cosmeticshttps://sciendo.com/article/10.2478/pjct-2019-0008<abstract><title style='display:none'>Abstract</title><p>Jerusalem artichoke (<italic>Helianthus tuberosus</italic>) and chicory (<italic>Cichorium intybus</italic>) are valuable pharmaceutical raw materials on account of their high content of inulin, a natural prebiotic. Inulin-rich plants are also increasingly employed in the formulation of cosmetic products. The paper presents the biological properties of aqueous and aqueous-ethanolic extracts of Jerusalem artichoke and chicory. The extracts have been found to have a high free radical scavenging ability, with the most beneficial antioxidant properties being observed for the aqueous-ethanolic extract of Jerusalem artichoke. Inulin isolated from both plant types is a safe and non-toxic raw material. Inulin added to model body wash gel formulations markedly reduces their potential to cause skin irritation and sensitization.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Anticorrosive and physicochemical properties of modified phosphate pigmentshttps://sciendo.com/article/10.2478/pjct-2019-0004<abstract><title style='display:none'>Abstract</title><p>Many studies have been carried out in the direction of improvement of the effectiveness of commonly utilized phosphate corrosion inhibitors. For this purpose various types of modifications are realized, e.g. introduction of different cations to the pigment composition or replacement of phosphate anions with others. In the presented work, anticorrosive pigments containing calcium hydrogen phosphate, and/or calcium hydroxyphosphate, and calcium molybdate were obtained. The phase and chemical composition and the oil absorption number of those materials were determined. The anticorrosive properties were investigated by an electrochemical noise method. The obtained results were compared with previously published studies concerning pigments containing (NH<sub>4</sub>)<sub>3</sub>Al<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> and/or AlPO<sub>4</sub>, and CaMoO<sub>4</sub>. It was found that the pigment containing only calcium molybdate(VI) is not an effective corrosion inhibitor. However, the pigments comprising a mixture of CaHPO<sub>4</sub> and CaMoO4 exhibited good anticorrosive properties and they were characterized by higher effectiveness in the corrosion protection than compared materials.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Ethylcellulose as a coating material in controlled-release fertilizershttps://sciendo.com/article/10.2478/pjct-2019-0010<abstract><title style='display:none'>Abstract</title><p>Ethylcellulose polymer was used as a coating material in the preparation of controlled release fertilizers. The materials have been prepared with the use of an immersion method. The mass ratio of polymer to fertilizer was in the range of 0.165–0.285 and the layer thickness was in the range of 204–244 μm. Mechanical properties of the prepared materials were significantly better in comparison with the initial fertilizer. Measurements of time and the degree of release of mineral components from the obtained materials were determined with a standard method. Ethylcellulose-coated materials have met the requirements of controlled release fertilizers.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Numerical analysis of a serial connection of two staged SOFC stacks in a CHP system fed by methane using Aspen TECHhttps://sciendo.com/article/10.2478/pjct-2019-0007<abstract><title style='display:none'>Abstract</title><p>The objective of the study was to develop a steady-state system model in Aspen TECH using user-defined subroutines to predict the SOFC electrochemical performance. In order to achieve high overall fuel utilization and thus high electrical efficiency, a concept of Combined Heat and Power system with two-stage SOFC stacks of different number of cells was analyzed. The concept of two-stage SOFC stacks based system was developed in the framework of the FP7 EU-funded project STAGE-SOFC. The model was validated against data gathered during the operation of the proof-of-concept showing good agreement with the comparative simulation data. Following model validation, further simulations were performed for different values of fuel utilization to analyze its influence on system electrical performance. Simulation results showed that the concept of two-stage SOFC stacks configuration was viable and reliable. The model can be useful for development the optimal control strategy for system under safe conditions.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Study of selected physical, chemical and biological properties of selected materials intended for contact with human bodyhttps://sciendo.com/article/10.2478/pjct-2019-0001<abstract><title style='display:none'>Abstract</title><p>The purpose of the conducted study was to analyse new materials intended for contact with the human body in view of their physical, chemical and biological properties. The authors have put to test six commercially available materials, four out of which were composite polyamide 12-based materials, while two were polyurethanes. The examined materials were assessed in terms of the surface. Subsequently, their hardness and biocompatibility were tested. The authors devoted major attention to the tests of absorption and emissivity of water, the pH = 7.4 PBS buffer solution and pH = 4.3 artificial sweat in temperatures of 21°C and 37°C. The results of the tests have confirmed the non-toxicity of all the tested materials and allowed to provide their characteristics in terms of their surface, hardness, as well as absorption and emissivity of various body fluids. Both polyamide 12 and the tested polyurethanes are classified as thermoplastics that may be used in additive technology.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Graphene oxide flake activation via divinylsulfone – a procedure for efficient β-galactosidase immobilizationhttps://sciendo.com/article/10.2478/pjct-2019-0006<abstract><title style='display:none'>Abstract</title><p>Flaky graphene oxide was activated with divinylsulfone followed by immobilization of the β-galactosidase enzyme. An active and stable preparation was obtained. β-galactosidase stability after immobilization was much higher than with the native enzyme. The half-life time of the immobilized enzyme was estimated as 165 hours, while for the native form, the estimate was only 5 hours. The developed procedure for the preparation of flaked graphene and its use in the chemical immobilization of enzymes can be used for any enzyme. A processing solution for continuous operation was proposed and verified using cow’s milk, with lactose as the hydrolysed substrate, as a dosing stream. Lactose, a milk sugar, was effectively hydrolysed. Product for allergy sufferers who cannot digest lactose has been obtained in this way.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Activated carbons from common nettle as potential adsorbents for CO capturehttps://sciendo.com/article/10.2478/pjct-2019-0011<abstract><title style='display:none'>Abstract</title><p>Activated carbons (ACs) prepared from common nettle (Urtica Dioica L.) were studied in terms of carbon dioxide adsorption. ACs were prepared by KOH chemical activation in a nitrogen atmosphere at temperatures (ranging from 500 to 850°C). The pore structure and the surface characterization of the ACs were specified based on adsorption-desorption isotherms of nitrogen measured at –196°C and carbon dioxide at 0°C. The specific surface area was calculated according to the BET equation. The pore volume was estimated using the DFT method. The highest values of the specific surface area (SSA) showed activated carbons produced at higher carbonization temperatures. All samples revealed presence of micropores and mesopores with a diameter range of 0.3–10 nm. The highest value of the CO<sub>2</sub> adsorption, 4.22 mmol/g, was found for the material activated at 700°C.</p></abstract>ARTICLE2019-03-16T00:00:00.000+00:00Formation and characterization of furfuryl mercaptan-β-cyclodextrin inclusion complex and its thermal release characteristicshttps://sciendo.com/article/10.2478/pjct-2021-0035<abstract> <title style='display:none'>Abstract</title> <p>Furfuryl mercaptan has the aroma characteristics of coffee. However, it is unstable during storage of coffee brew and roasted coffee. In order to enhance the stability of furfuryl mercaptan, furfuryl mercaptan-β-cyclodextrin inclusion complex was synthesized using the precipitation method in this work. Fourier transform infrared spectroscopy, x-ray diffraction, and thermogravimetric analysis (TG) were used to characterize the resulting products. The interaction of furfuryl mercaptan with β-cyclodextrin was investigated by the molecular mechanics (MM) method. These changes in FTIR and XRD gave supporting evidence for the successful formation of furfuryl mercaptan-β-cyclodextrin inclusion complex. The TG results showed that the formation of furfuryl mercaptan-β-cyclodextrin inclusion complex could improve the thermal stability of furfuryl mercaptan and provide a long-lasting effect. The structure of furfuryl mercaptan-β-cyclodextrin inclusion complex with the minimum energy was obtained by MM2 calculation, and the minimum binding energy was –77.0 kJ mol<sup>−1</sup> at –1.96 × 10<sup>–10 m</sup>.</p> </abstract>ARTICLE2021-12-30T00:00:00.000+00:00Product diversification from pomelo peel. Essential oil, Pectin and semi-dried pomelo peelhttps://sciendo.com/article/10.2478/pjct-2021-0033<abstract> <title style='display:none'>Abstract</title> <p>Currently, agriculture has shifted to green production, in which the recycling of post-production by-products is a key issue. In the present work, by-products such as pomelos were studied to promote consumption and enhance the value of pomelo. From pomelo material, essential oils extracted from pomelo peels, pectin, and drying pomelo products have been diversified. In the extraction process of essential oils, the hydrodistillation method was applied in conjunction with the response surface method to obtain the optimal conditions of influence factors. These essential oils were quantified as well as determined for components by GC-MS. The pectin recognition process was done by immersion method in HCl acid (pH 2) and the drying process was made with a heat pump dryer under the effects of drying temperature, drying time and wind rate. The results of the essential oil products reached the highest (0.88 ±0.006 g) at the material size of 3 mm, the distillation time of 27 min, and the ratio of raw materials/solvents of 1/12 g/mL. The main components found in pomelo peeling essential oils included limonene (71.768%), γ-terponene (12,847%), α-Phellandrene (2.979%), β-myrcene (2.668%), 1R-α-pinene (2,656%), and β-pinene (1,191%). The pectin content was the highest under the temperature of 90 °C, extraction time of 60 min and ratio/solvent ratio of 1:32 g/mL. Under these extraction conditions, 48% of concentrated pectin content was obtained. Surveying conditions for drying white pomelo peels are capable of reversing: refunded drying pomelos are drying heat pumps in the following conditions: 50 °C drying temperature, the drying time of 90 min, and wind rate of 12 m/s. Product with hardness 309.862 N.</p> </abstract>ARTICLE2021-12-30T00:00:00.000+00:00en-us-1