http://chemistry.dnu.dp.ua/issue/feed Journal of Chemistry and Technologies 2026-06-19T23:19:48+03:00 Sergiy I. Okovytyy sokovyty@icnanotox.org Open Journal Systems <p>The journal is a peer-reviewed edition that supports the policy of open access to scientific publications.</p> <p><strong>Year of Foundation </strong> 1993. Until 2018 - Vìsnik Dnìpropetrovs’kogo unìversitetu. Serìâ Нìmìâ (Bulletin of Dnipropetrovsk university. Series Сhemistry) (ISSN: 2306-871X (Print), ‎2313-4984 (Online))<br /><strong> Field and issues: </strong> The scientific edition Journal of Chemistry and Technologies publishes the results of new research in the field of applied and theoretical chemistry, the history of chemistry, analysis of chemical objects, synthesis of organic compounds, development of electroplating technology, research of coordination compounds, chemical and food technology. Since 2023, a new section "Industrial Gases. Chemical Engineering". <br /><strong>ISSN:</strong> 2663-2934 (Print), 2663-2942 (Online). <br /><strong> Certificate of state registration:</strong> Свідоцтво про державну реєстрацію друкованого засобу масової інформації Серія КВ № 23401-13241ПР від 24.05.2018 року; <span class="a_GcMg font-feature-liga-off font-feature-clig-off font-feature-calt-off text-decoration-none text-strikethrough-none">R30-04863 from 13.06.2024 №2053</span><br />The edition is included in the «Перелік наукових фахових видань України категорії А, в яких можуть публікуватися результати дисертаційних робіт на здобуття наукових ступенів доктора і кандидата наук». Approved by order No. 409 of the Ministry of Education and Science of Ukraine dated 17.03.2020. <br /><strong> Periodicity: </strong> 2-4 issues per year.<br /><strong> Languages of publication:</strong> Ukrainian, English (mixed languages). <br /><strong> Founder: </strong> <a href="http://dnu.dp.ua/" target="_blank" rel="noopener">Oles Honchar Dnipro National University</a>. <br />Executive Editor: Okovytyy S. I., Doctor of Chemical Sciences. <br />Executive Secretary: Plysovskaya К. A., Candidate of Chemical Sciences. <br />Editorial office address: 72 Science Av., Dnipro, 49010, Ukraine.<br />Phone: ‎+380567768223 <br />E-mail: <a href="mailto:chem.dnu@gmail.com">chem.dnu@gmail.com</a></p> <table border="0" align="center"> <tbody> <tr> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/5.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/issue/current" target="_self"> The latest issue </a></td> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/4.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/about/submissions#onlineSubmissions" target="_self"> Guidance for authors: </a></td> </tr> <tr> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/1.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/indexing" target="_self"> Indexing: </a></td> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/3.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/about"> Ethical Standards: </a></td> </tr> <tr> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/2.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/issue/archive" target="_self"> Archive ‎(2012-2018)</a></td> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/arhive.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/about/journalSponsorship" target="_self"> Sponsors </a></td> </tr> <tr> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/7.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/about/editorialTeam" target="_self"> Editorial board </a></td> <td><img src="http://chemistry.dnu.dp.ua/public/site/images/yaroslav/6.png" alt="" width="25" /></td> <td><a href="http://chemistry.dnu.dp.ua/about/contact" target="_self"> Contact information </a></td> </tr> </tbody> </table> http://chemistry.dnu.dp.ua/article/view/353798 THERMAL ANALYSIS AND IR SPECTROSCOPY OF COFFFEE GROUNDS AND COFFEE-GROUND-DERIVED BIOCHARS 2026-03-09T00:31:52+02:00 Galyna Krusir krussir.65@gmail.com Myroslav Malovanyy krussir.65@gmail.com Viktoria Kochubei krussir.65@gmail.com Heinz Leuenberger krussir.65@gmail.com Serhii Moshtakov krussir.65@gmail.com Taisiia Sokolova krussir.65@gmail.com <p><strong>The worsening environmental, food and energy crisis necessitates new approaches to recycling food waste into targeted products, one of which is coffee grounds. The produced biochars, featuring a high specific surface area and suitable pore dimensions, are considered relevant and promising for addressing environmental challenges in the waste management sector. The aim of the objective of this research is to produce biochar, which can be used efficiently and effectively in the future during the process of anaerobic digestion of food waste from a hotel and restaurant complex to produce biogas, to study its structural surface characteristics and its physicochemical characteristics using integral and differential infrared spectroscopy and complex thermal analysis. The differential infrared spectrum of the comparison of biochar and feedstocks is characterised by a decrease in the absorption intensity of the feedstock in the 3400 cm-1 region, which corresponds to the valence vibrations of the free OH- group, indicating an increase in hydrogen bonds in biochar. To evaluate the effect of temperature on the thermal decomposition of the samples, a comprehensive thermal analysis was used, including differential thermogravimetry (DTG), thermogravimetric analysis (ТG) and differential thermal (DТА) analyses. Тhe less intense mass loss of biochar-300 and biochar-500 samples compared to the samples of the feedstock and biochar-MX confirms the presence of fewer thermally unstable components in them. Compared to the raw material sample, the samples of all the studied biochars contain fewer components capable of thermal oxidation. Structural characteristics of the biochar surface have a significant impact on the functional properties of biochar, the specific surface of biochar is much higher than the specific surface of raw materials, which indicates the feasibility of the selected methods of modifying raw materials to increase their functional properties.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/343271 BIOMASS-BASED AMIDES AS MULTIFUNCTIONAL ADDITIVES FOR ELASTOMERIC COMPOSITIONS 2026-01-05T18:19:41+02:00 Lina O. Sokolova sokolovalina18@gmail.com Valery I. Ovcharov sokolovalina18@gmail.com Kostiantyn S. Burmistrov sokolovalina18@gmail.com Mykola V. Toropin sokolovalina18@gmail.com Tetiana V. Hrydnieva sokolovalina18@gmail.com Valeria O. Tyshchenko sokolovalina18@gmail.com <p><strong>Study investigates the effect of diethanolamides synthesized from renewable plant raw materials (spent sunflower oil production adsorbent) on the properties of filled elastomeric compositions based on butadiene-α-methylstyrene rubber. It has been established that the studied amides are multifunctional additives that combine the properties of plasticizers, dispersing agents, activators, and secondary accelerators in sulfur vulcanization. Their use improves the technological characteristics of rubber compounds, reduces viscosity, and increases plasticity, thereby ensuring better processability of elastomeric compositions. It has been shown that the addition of amides significantly accelerates the sulfur vulcanization process: the cross-linking rate and the apparent rate constant of vulcanization increase by 2</strong><strong>–</strong><strong>4 times compared to traditional stearic acid, and the time required to reach the vulcanization optimum is reduced. A positive effect of amides on the formation of the vulcanization network structure has been established, which improves the heat resistance and thermal stability of rubbers. The highest effectiveness was demonstrated by glycerol-free fatty acid diethanolamide, which reduces the loss of strength properties after exposure to elevated temperatures by 25</strong><strong> </strong><strong>% and provides a relative elongation at break that is 22</strong><strong> </strong><strong>% higher than in rubber without additives. The results obtained confirm the potential of using plant-derived amides as environmentally safe, multifunctional ingredients for the production of modern elastomeric compositions and products made from them.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/353044 IMPROVING THE QUALITY OF FINISHING CREAMS BASED ON LOW-FAT CREAM BY OPTIMIZING STRUCTURAL AND MECHANICAL PROPERTIES 2026-02-25T19:55:44+02:00 Oleksii O. Kotov kotov.technolog@gmail.com Andrii G. Farisieiev fara51289@gmail.com Ruslan Ye. Slobodniuk kotov.technolog@gmail.com Nataliia V. Kondratiuk kondratjukn3105@gmail.com <p><strong>Reducing the mass fraction of fat in creamy finishing creams is a relevant direction for the development of healthier confectionery products. However, it is accompanied by a deterioration in rheological characteristics, a decrease in dimensional stability and an increase in syneresis. The aim of the work was to improve the quality of finishing creams based on low-fat cream by optimizing structural and mechanical properties through improving the recipe and mechanical processing modes. The effect of hydrocolloids, namely gelatin, xanthan gum, guar gum and high-methoxyl pectin, as well as milk protein ingredients, including sodium caseinate and skimmed milk powder, on viscosity, dimensional stability, syneresis and the stability of the emulsion-foam structure of the cream was studied. It was shown that reducing fat from 30 % to 12 % without stabilization leads to a significant decrease in viscosity and an increase in the tendency to whey separation. The best technological effect is provided by the combined system "gelatin + guar gum + sodium caseinate", which brings the structural parameters closer to the control sample and reduces syneresis to 1.3 % after 72</strong><strong> </strong><strong>h of storage at (4±2)°C. The optimal whipping mode is set to 6 min at 1200–1400 rpm, which provides a balance between overrun and foam stability. The results can be used in confectionery production to create low-calorie creams without losing the organoleptic profile of the product.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/340782 THE EFFECT OF PRE-TREATMENT WITH CHITOSAN AND SALICYLIC ACID COMPOSITION ON CHANGE IN THE QUALITY OF SOUR CHERRIES DURING STORAGE 2026-01-16T13:41:14+02:00 Olena V. Vasylyshyna tanja6734256@ukr.net <p><strong>Cherry fruits are valued for their anthocyanin content, but their shelf life is short. Therefore, it is necessary to extend the shelf life of the fruit by developing new storage technologies. To this end, Alpha and Pam'yat Artemenka sour cherry varieties were sprayed with a solution of chitosan and salicylic acid and stored in a refrigerator at a temperature of 1±0.5 °C and a relative humidity of 95±1 %. The results of the studies showed that spraying cherry fruits with a 1 % chitosan solution with the addition of 100 mg/l of salicylic acid had a beneficial effect on the preservation of ascorbic acid, tannins, and pigments. Their content decreased by 18.3−19.8 % and 8.2−9.5 %. At the same time, the loss of antioxidant activity was 25−26 %. A strong correlation was found between antioxidant activity and the content of tannins and pigments (r = 0.93±0.00).</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/352549 HIGHLY ACTIVE SILICA FILLER OBTAINING PROCESS BY SULPHURIC ACID PRECIPITATION 2026-02-20T10:45:08+02:00 Zoia A. Malakei zoia.malakei@ukr.net Vyacheslav M. Утєшев vyacheslav_uteshev@ukr.net Yaroslav Y. Kuchera kucherayaroslav@gmail.com Nazar I. Yashchyk yashchyknazar18@gmail.com <p><strong>The article scientifically substantiates and practically implements an improved three-stage technology for the synthesis of highly active precipitated silicon dioxide (white carbon black), which serves as a domestic analogue to the international standard ULTRASIL® VN 3. The study investigates the influence of </strong><strong>«</strong><strong>mild</strong><strong>»</strong><strong> precipitation conditions, including temperature (90–92 °C), sodium silicate density (1.07–1.09 g/cm<sup>3</sup>), and controlled technological pauses, on the physicochemical properties of the product. It was established that a clear separation of the nucleation (pH 11.0) and structuring (pH 10.0) stages allows for precise control of the specific surface area within the range of 150–200 m<sup>2</sup>/g. Process scaling results on a bench-scale unit with a 400-liter reactor confirmed the stability of quality characteristics: SiO<sub>2</sub> content ≥ 97 %, pH 6.2, and moisture content ≤ 6 %. Product testing at consumer enterprises confirmed its high reinforcing capacity in tire and rubber compounds.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/351331 DEMULSIFICATION BEHAVIOR OF CRUDE OIL EMULSIONS İN THE PRESENCE OF MULTICOMPONENT DEMULSIFIERS 2026-02-01T21:32:21+02:00 Aysel V. Gasimzade aysel.qasimzade@asoiu.edu.az Rashad R. Khalilzade aysel.qasimzade@asoiu.edu.az <p><strong>In the present study, the demulsification of 35</strong><strong> </strong><strong>% water-in-oil Muradkhanli crude oil emulsions was investigated using both individual reagents and their composite formulations. The individual reagents included ALKAN-318, ALKAN DE-202, Separol, Demin-8411, and Dissolvan-3359. Demulsification experiments were conducted at 40 °C and 50 °C for 2 hours using the bottle-test method. To enhance demulsification efficiency, demulsifier-based composite formulations were developed under laboratory conditions. These compositions consisted of the studied demulsifiers combined with ethanol, which was added to reduce interfacial tension. The optimal dosage for the composites was determined to be 500 g/t; therefore, both the individual reagents and the composites were compared within the concentration range of 150–500 g/t, and the results were presented in graphical and tabular forms. Since the formulations were based on demulsifiers, they were conventionally denoted as deemulsifier compositions (DC), and a total of ten compositions (DC-1 to DC-10) were synthesized.</strong> <strong>Along with the demulsification of 35</strong><strong> </strong><strong>% water-cut Muradkhanli crude oil emulsions, the effects of both the individual reagents and the composite systems on surface tension, interfacial tension, viscosity, HLB index, and salt content were also studied, and the obtained results were comparatively analyzed. Experimental findings revealed that the highest demulsification efficiency was achieved with the DC-5 composition.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/352308 CHEMICAL CHARACTERISATION, BIOLOGICAL ACTIVITY AND EMULSION DOSAGE FORM DEVELOPMENT OF SPERANSKIA TUBERCULATA (BUNGE) BAILL 2026-02-15T20:09:56+02:00 Tetiana M. Derkach derkach.tm@knutd.com.ua Zeyuan Sun derkach.tm@knutd.com.ua <p><strong>Establishing the chemical composition of <em>Speranskia tuberculata (Bunge) Baill</em>. extracts, their analytical characterisation, and assessment of pharmacological activity for further pharmaceutical development. Methods. Extraction of the aerial parts of the herb with four solvents (ethyl acetate, petroleum ether, n-butanol, and water) was performed. Antibacterial activity was assessed by agar diffusion method against <em>Staphylococcus aureus</em>, <em>Escherichia coli</em> and <em>Propionibacterium acnes</em>. Antioxidant activity was determined using DPPH and SARS tests. Cytotoxicity was assessed in four human cancer cell lines (A549, HEPG2, A375, and HeLa) using the MTT assay and IC₅₀ calculations. The chemical composition was investigated by LC/MS and spectrophotometrically to determine the total content of phenols, flavonoids, terpenoids and alkaloids. FTIR was used to control the compatibility of components during the development of the dosage form. An EA extract was used to create an emulsion cream, and the critical technological parameters were assessed. The results. The chemical profile and biological activity of the extracts depend significantly on the solvent, with EA extracts showing the best indicators. The dominant plant compounds belong to phenols, flavonoids, terpenoids and alkaloids. Based on extraction and analytical screening results, the EA extract was used as an active pharmaceutical ingredient in the development of an emulsion cream. The optimal composition was determined using the orthogonal planning method, with assessment of critical quality indicators (pH, dynamic viscosity, and technological stability). FTIR testing confirmed the chemical compatibility of the components and the preservation of marker sites of polyphenolic compounds in the finished product. The cream showed pronounced antibacterial activity against <em>Propionibacterium acnes</em> and <em>Staphylococcus aureus</em>, with the optimal composition achieving the maximum effect. Conclusions. The study demonstrates an analytically controlled and technologically justified strategy for integrating plant extracts into dosage forms within the framework of chemical engineering of pharmaceutical systems.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/351619 TECHNOLOGIES FOR REDUCING NITRATE CONTENT IN MEAT PRODUCTS DURING PROCESSING 2026-04-30T19:14:06+03:00 Valentyna M. Israelian israelyan@nubip.edu.ua Nataliia V. Holembovska natashagolembovska@gmail.com Olena V. Sydorenko o.sydorenko@knute.edu.ua Alina M. Omelian alina_omelian@nubip.edu.ua Tatyana V. Naumenko tetianarozbytska@nubip.edu.ua Vasyl D. Shynkaruk vashyn2010@ukr.net Anastasia T. Lialyk lyalyk@tntu.edu.ua Inna M. Stetsyuk stetsyuk.inna@nubip.edu.ua Yaroslav M. Rudyk rudyk.yaroslav@nubip.edu.ua Mykola S. Gruntkovskyi m-gruntkovskyi@nubip.edu.ua <p><strong>Nitrites are widely used in the meat industry to stabilise colour and ensure microbiological safety of products; however, potential health risks associated with their use necessitate the search for safer alternatives. This study aimed to evaluate the effectiveness of plant extracts (rosemary, green tea, and pomegranate), containing bioactive compounds with antioxidant properties, in minced meat matrices as factors capable of slowing oxidative processes and influencing microbiological and quality parameters of the products. Pork minced meat samples were treated with aqueous-alcoholic extracts of rosemary, green tea and pomegranate at concentrations of 0.3–0.5</strong><strong> </strong><strong>%, stored at +4</strong><strong> </strong><strong>°C for 21 days and analysed for microbiological indicators, colour parameters, sensory characteristics and level of lipid oxidation. Among the extracts tested, rosemary (0.5</strong><strong> </strong><strong>%) showed the highest efficacy: the number of microorganisms after 21 days was 2.8×10⁴ colony-forming units per gram (compared to 3.2×10⁴ in the control; p &lt; 0.05), the level of malondialdehyde decreased by 33</strong><strong> </strong><strong>% (1.2 ± 0.1 mg/kg), and the red hue (a* = 9.5 ± 0.2) remained stable. Green tea extract (0.3</strong><strong> </strong><strong>%) and pomegranate extract (0.4</strong><strong> </strong><strong>%) reduced lipid oxidation by 22</strong><strong> </strong><strong>% and 11</strong><strong> </strong><strong>%, respectively, but had a smaller effect on colour retention. The sensory evaluation results showed that rosemary extract received better scores for aroma (8.7 ± 0.4/10) and overall acceptability (8.9 ± 0.3/10), while pomegranate extract received mixed scores due to its fruity notes. No significant differences in texture were observed among the samples. These results confirm that natural antioxidants – in particular rosemary – can serve as an effective alternative to synthetic nitrates, providing microbiological stability, reducing oxidation and maintaining consumer-acceptable quality attributes. Practical applications include the addition of such extracts to premium meat products and their combined use to enhance the synergistic effect. This study provides a basis for the development of formulations with reduced artificial additives, in line with current trends in health and nutrition.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/359137 HYBRID PROCESSES AND TECHNOLOGICAL SOLUTIONS AS A FACTOR IN THE INTENSIFICATION AND TRANSFORMATION OF CHEMICAL AND FOOD ENGINEERING: A SYSTEMATIC REVIEW 2026-04-28T19:16:49+03:00 Michael A. Podzharsky podzharsky@ua.fm <p><strong>This article provides a systematic review of current trends in intensifying technological processes in chemical and food engineering. It focuses on hybrid methods of drying, separation, and extraction, which have been extensively studied in recent publications (2021–2026). These studies reveal interest in using nanofluids as heat transfer fluids, employing combined drying systems, using membrane-integrated reactors, and employing extraction technologies based on deep eutectic solvents. Combining physical effects (e.g., ultrasound, microwaves, radio frequencies, and magnetic fields) with traditional processes creates synergistic effects, including increased heat and mass transfer coefficients, reduced operation times, and preserved bioactive components. For instance, energy consumption in combined drying units is reduced by tens of percent compared to conventional units, while product quality is preserved. Membrane-integrated reactors and process systems using deep eutectic solvents show promise, though long-term stability and safety must be confirmed. After summarizing the discussed material, the author proposed a simple classification of hybrid heat and mass transfer processes, which improves understanding of the subject.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/356926 ELECTROCHEMICAL EXTRACTION OF NICKEL FROM METHANESULFONATE SOLUTION IN THE PRESENCE OF SODIUM CUMENESULFONATE 2026-04-07T18:49:48+03:00 Yuri E. Sknar yurisknar@gmail.com Ruslan S. Amirulloev yuriy.sknar@gmail.com Irina V. Sknar yuriy.sknar@gmail.com Tetiana E. Butyrina yuriy.sknar@gmail.com Natalia V. Amirulloeva yuriy.sknar@gmail.com <p><strong>The work is devoted to solving </strong><strong>an</strong><strong> urgent scientific and practical problem involving the processing </strong><strong>of </strong><strong>nickel-containing heat-resistant alloys</strong><strong>,</strong><strong> with the extraction of nickel </strong><strong>via</strong><strong> electroextraction from leaching solutions. Nickel is one of the strategically important metals that are widely used in the defense-industrial complex, and its secondary use is of priority importance due to the limited natural resources and the high cost of primary production. The high purity of the nickel obtained from the processing of heat-resistant alloy waste is achieved through the use of electrochemical methods to extract the metal from leaching solutions. In the work, a new methanesulfonate solution was used as the leaching medium. Electrochemically deposited nickel is characterized by significant internal tensile stresses, which can cause its delamination from the cathode surface. The work established that the formation of nickel deposits with a reduced level of internal stresses requires the use of sulfur-containing organic modifiers. During their electrochemical decomposition on the surface of the nickel electrode, sulfur is incorporated into the deposit in concentrations close to the maximum permissible, which ensures an effective reduction in internal stresses due to the formation of a solid solution of sulfur in nickel. At the same time, the content of hydrocarbon decomposition products of additives in the coating should be minimized. It has been shown that the addition of sodium cumenesulfonate to a methanesulfonate solution in an amount of 10 mmol/l reduces the internal stresses of nickel to almost zero. It was found that in the methanesulfonate solution there is a wider range of current densities in which nickel can be deposited with constant internal stress values compared to the sulfate solution.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/346352 ANALYSIS OF THE PHYSICAL AND MECHANICAL PROPERTIES OF THERMOPLASTIC GELATIN FILMS OBTAINED BY VARIOUS METHODS AND THEIR COMPUTER-MODELED STRUCTURE 2025-12-12T11:51:09+02:00 Nurbek F. Normuradov nnf7nnf7@gmail.com Ilnar N. Nurgaliyev ilnarvodnik@gmail.com Elshod O. Khakberdiev profhaqberdiyev@gmail.com Qodirbek N. Berdinazarov qodirberdinazarov@mail.com Nigmat R. Ashurov nigmat-ashurov@gmail.com <p><strong>The mixing steps involved in the formation of biodegradable thermoplastic films based on natural polymers limit the ability to achieve the desired properties. The production of thermoplastic gelatin films involves modifying the gelatin matrix with plasticizers to impart thermoplastic properties, allowing it to be processed through traditional plastic manufacturing methods. In this work, water and Glycerol plasticizer were used to modify the bovine gelatin matrix. Plasticizers were added to the gelatin composition in various proportions (from 20 wt% to 100 wt%), and film samples were obtained. Thermoplastic gelatin films were produced by casting a solution onto a defined surface, employing three different methods: by altering the stages of introducing the plasticizer into the gelatin matrix (in 2 methods) and by introducing an additional stirring step during the heating of the solution. The resulting thermoplastic gelatin films were subjected to mechanical tests and compared in terms of relative elongation at break and strength. It was found that the mechanical strength and Young's modulus of gelatin films plasticized with glycerol decreased with increasing glycerol content in gelatin, and the relative elongation at break increased. The computer-modeled structure was analyzed using density functional theory (DFT) to study the electronic structures and interactions of the gelatin biopolymer with plasticizers. The electronic characteristics of the HOMO and LUMO orbitals and the frontier orbitals of the system were calculated.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/355566 IMPACT OF FORMULA OPTIMIZATION ON ENHANCING BIOLOGICAL VALUE AND MICROBIOLOGICAL SAFETY INDICATORS OF LACTOSE-FREE YOGURT PRODUCTS 2026-03-25T17:05:06+02:00 Tetiana V. Makovska makov-t@ukr.net Natalia A. Tkachenko makov-t@ukr.net Liudmyla M. Pylypenko makov-t@ukr.net Olena V. Sevastyanova makov-t@ukr.net <p><strong>The influence of formula optimization on the microbiological safety indicators of lactose-free yogurt products enriched with plant-based biologically active components was investigated. The purpose of the study was to optimize the formula using dry oat and corn milks and Jerusalem artichoke powder in order to increase nutritional and biological values and ensure regulatory quality and microbiological safety indicators. Lactose-free pasteurized milk with 2.6 % fat and <em>Danisco Yo-Mix</em> <em>495</em> starter culture were used as raw materials; additional ingredients were dry oat/corn milk and Jerusalem artichoke powder.</strong> <strong>The formulation was optimized using the Statistica 10 software and the response surface method. Conditional viscosity and sensory evaluation of the product were selected as the optimization criteria.</strong> <strong>The optimal mass fractions of the raw ingredients were determined: for the formulation containing dry oat milk and Jerusalem artichoke powder </strong>– <strong>1.43 % and 1.11 %, respectively; for the formulation containing dry corn milk and Jerusalem artichoke powder </strong>– <strong>1.45 % and 1.07 %, respectively. </strong><strong> </strong><strong>It was shown that after 14 days of storage, the developed samples met the requirements of DSTU 4343:2004 in terms of physical and chemical indicators and had good microbiological safety indicators: absence of coliforms, <em>E. coli</em>, <em>S. aureus</em>, <em>B. cereus</em>, and <em>Salmonella</em> spp. The number of lactic acid bacteria was 9.0·10<sup>7</sup></strong>–<strong>1.1·10<sup>8</sup> CFU/ml. The results obtained confirm the technological feasibility of using the studied plant components in lactose-free yogurt health-enhancing products and creation of prerequisites for expanding the range of functional fermented milk products.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/349427 FTIR-ATR CHARACTERIZATION AND SCREENING OF ANTIOXIDANT AND ANTI-INFLAMMATORY POTENTIAL OF CHITIN, AND COLLAGEN DERIVED FROM THUNNUS THYNNUS AND SARDINA PILCHARDUS COPRODUCTS 2026-01-06T17:03:33+02:00 Hamza Belkhodja hamzabelkhodja@yahoo.fr Asmaa Belmimoun belmimoun_asmaa@yahoo.fr Marwa Chihaoui marwachihaouisv@gmail.com Abderrahmane Remil remilabderahmane2@gmail.com Fatima Belkhadem fatima.belkhadem@univ-temouchent.edu.dz Djilali Bouhadi bouhadidjilali@yahoo.fr Khadidja Side Larbi khadidjasidelarbi@gmail.com Fatima Zohra Labbaci labbaci.fatimazohra@yahoo.fr Abdelkader Elouissi aekelouissi@yahoo.fr <p><strong>The problem of fishery coproducts has increased in recent years and has become a global problem influenced by various biological, technical, operational, and socio-economic factors. This work aims to valorize the coproducts of two pelagic species, bluefin tuna (<em>Thunnus thynnus</em>) and sardines (<em>Sardina pilchardus</em>), by the extraction and characterization of the bioactive substances (Chitin and collagen) by physicochemical and FTIR-ATR analysis, and the in vitro evaluation of their antioxidant and anti-inflammatory potential. From the extraction yield, <em>T. thynnus</em> recorded the highest extraction yield for both fractions (chitin and collagen) compared to <em>S. pilchardus. </em>The FTIR-ATR spectrum showed bands and peaks corresponding to functional groups of the substances tested. The evaluation of the antioxidant potential showed that sardine and tuna collagen have good antiradical, anti-inflammatory, and anti-hemolytic effects compared to chitin. The results revealed that the bioactive substances (chitin and collagen) extracted from<em> T. thynnus </em>and <em>S. pilchardus</em> byproducts could have promising applications in the food, pharmaceutical, and nutraceutical sectors.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/347538 ASSOCIATED ROCKS OF COAL MINING AS A RAW MATERIAL FOR THE PRODUCTION OF TECHNICAL MATERIALS 2026-01-12T11:19:57+02:00 Elina B. Khobotova elinahobotova@gmail.com Vita V. Datsenko dacenkovita14@gmail.com <p><strong>The relevance of the work is related to solving environmental problems while reducing the use of natural resources and finding ways to create binders using industrial waste as raw materials.</strong> <strong>The research objective of the work is to investigate the petrographic and hydraulic characteristics of waste rock from the Khmelnitska and Sverdlov mines in the Luhansk region and to explore the potential for their use in the production of construction materials. </strong><strong>The elemental composition of waste heap rocks was determined using INCA electron probe microanalysis</strong><strong>.</strong> <strong>Petrographic studing of the samples was carried out using a MIN-8 and Nu-2E microscope in transmitted light in transparent sections. The hydraulic activity of the waste rocks was determined by the amount of absorbed lime CaO. In order to study the behavior of minerals and the amorphous phase of waste rocks at high temperatures, for example, under the conditions of the cement clinker production, sintering was carried out at <em>t</em><sub>max</sub> = 1580</strong><strong> °</strong><strong>С for 10 h in an oxidizing medium of O<sub>2</sub> and CO<sub>2</sub>. The studied rocks contain amorphous phases and a crystalline part, in which minerals muscovite, quartz, and clinochlore are presented. The rocks are classified as ultra-acidic. Sintered coal rocks consist of a glass phase in which are distributed crystals of minerals: ferruginous spinels, mullite, and pyroxenes (diopside and hedenbergite), which were formed by high-temperature reactions. The possibility of using coal mining rocks in cement production is confirmed by the similarity of their oxide compositions. The high Fe<sub>2</sub>O<sub>3</sub> content promotes the formation of a melt, in which lime reacts better with other minerals. The combined presence of Al<sub>2</sub>O<sub>3</sub> and Fe<sub>2</sub>O<sub>3</sub> leads to the formation of Ca aluminoferrites with an increased aluminate content. The high content of </strong><strong>the </strong><strong>glass phase, the presence of Al<sub>2</sub>O<sub>3</sub> and Fe<sub>2</sub>O<sub>3</sub>, </strong><strong>and the </strong><strong>excellent hydraulic properties of the rocks make them suitable for use in the production of lime-slag binders, aluminous cement, and as corrective or active additives to Portland cement clinker. By introducing rocks before sintering the raw material mixture, the <em>M<sub>al</sub></em> and <em>M<sub>c.f.</sub></em> modulus can be adjusted.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/354370 STRUCTURAL, MAGNETIC, THERMAL AND ABSORPTION CHARACTERISTICS OF Co–Fe ALLOY/COBALT FERRITE COMPOSITES 2026-03-15T20:10:22+02:00 Liliya A. Frolova domosedi@i.ua Volodymyr O. Kotsiubynskyi 19kozak83@gmail.com Oleksandr I. Kushnerov 19kozak83@gmail.com Yurii S. Hordieiev 19kozak83@gmail.com <p><strong>Co-Fe/cobalt ferrite composite nanoparticles were synthesized by hydrothermal method in a high-temperature reactor. X-ray diffractometry (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), vibrational magnetometry (VSM), differential thermal analysis and thermogravimetry (DTA/TG), respectively, were used to characterize the crystal structure, functional groups, particle size, morphology, and magnetic and thermal properties of the obtained samples. Analysis of X-ray phase analysis data showed that the particles have a two-phase structure consisting of spinel and alloy. Structural and magnetic studies confirmed the formation of Co-Fe/cobalt ferrite composite nanoparticles with a crystallite size of approximately 80</strong><strong>–</strong><strong>100 nm and shape anisotropy. The saturation magnetization was 190 Emu/g. According to the data of differential thermal analysis and thermogravimetry, the composite is oxidized in an argon atmosphere due to the presence of bound water and hydroxyl groups. A pronounced exothermic effect is observed.</strong> <strong>The microwave absorption properties of the composite were investigated in the X-band (8</strong><strong>–</strong><strong>12 GHz). The high absorption value indicates that these composites can be used as promising radio-absorbing materials.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/353351 RESEARCH ON THE EXTRACTION OF ALUMINA FROM ASH AND SLAG WASTE FROM THERMAL POWER PLANTS 2026-03-01T16:50:47+02:00 Oleksii O. Khlopytskyi ahlopitskiy@gmail.com Yuriy A. Gorbachоv ahlopitskiy@gmail.com Natalia P. Makarchenko mnp070470@gmail.com <p><strong>This paper discusses research on the processing of ash waste from thermal power plants and its fractions. The morphological and chemical composition of ash waste and its fractions has been established. A processing method is proposed that allows for the extraction of alumina from the non-magnetic fraction. It has been established that the non-magnetic fraction contains 27.4% alumina, as opposed to 17.4% in the original waste. It was found that the morphology and ratio of reagents have a significant effect on the sintering process at different temperature intervals and durations of the process itself. It was found that an increase in temperature does not significantly affect the process of aluminum oxide transition from aluminosilicates of different chemical compositions to sodium aluminosilicate.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/340964 QUALITY AND SAFETY OF PLANT-BASED FROZEN DESSERTS 2025-10-09T08:04:14+03:00 Olena V. Kalashnyk olena.kalashnyk@pdau.edu.ua Alla P. Kainash alla.kainash@pdau.edu.ua Svitlana E. Moroz svitlana.moroz@pdau.edu.ua Nina V. Budnyk nina.budnyk@pdau.edu.ua Nadia L. Remizova standart@standart.pl.ua Yuliia V. Levchenko yuliia.levchenko@pdau.edu.ua Valentina O. Nazarenko valentyna.nazarenko@pdau.edu.ua <p><strong>The article substantiates the relevance of developing frozen desserts based on plant-based raw materials as a promising direction of the modern food industry. The trends of increasing demand for products of plant origin are analyzed, which is due to the spread of vegan and vegetarian nutrition, increased consumer attention to a healthy lifestyle and functional properties of food products. The purpose of the study was to substantiate approaches to assessing the quality and safety of frozen desserts based on plant-based raw materials in the absence of a single regulatory framework for such products. The object of the study was the technology of producing frozen desserts using almond drink, coconut cream and cucumber juice. An organoleptic assessment was carried out, and physicochemical quality indicators (acidity, mass fraction of dry matter, content of simple sugars) and safety indicators (content of toxic elements) were determined. It was established that the developed samples met the requirements of DSTU 4734:2007 according to the studied indicators. The best organoleptic properties were obtained from the sample based on coconut cream and almond drink, which received 29 points out of 30 possible. The acidity values were 9.0–10.0 °T, and the mass fraction of dry matter was 30.6–42.8 %, which met regulatory requirements. The content of toxic elements did not exceed permissible levels. The results obtained confirm the prospects of using plant raw materials in the production of frozen desserts </strong><strong>for health purposes.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/352746 FORMATION AND EVALUATION OF THE QUALITY OF UNFASTENED WINE MATERIALS AND WINES FROM BLACKBERRIES 2026-02-23T16:19:31+02:00 Anastasiia Yu. Tokar anastasi.oleynik@gmail.com Iryna V. Haidai ft@udau.edu.ua Maryna V. Bilko aromat@ukr.net Oleksander M. Litovchenko amlitovchenko@ukr.net Volodymyr I. Voitsekhivskyi vinodelvv@gmail.com Olha R. Mykhaylytska ola75@ukr.net <p><strong>Blackberry is one of the promising berry crops in Ukraine, suitable for both fresh consumption and industrial processing. Blackberry fruits of the Thornfree variety, grown in the conditions of the Central Forest-Steppe of Ukraine, are capable of forming a complex of natural biologically valuable nutrients, which are largely preserved in processed products. The purpose of this work was to experimentally confirm the possibility of preparing high-quality and biologically valuable unfortified wines from blackberries. The juice yield in laboratory conditions with heat treatment of berries was 69.6 dal/ton. Blackberry wort was prepared by adding the calculated amount of drinking water and sugar. The initial sugar content in the wort was 258 g/dm<sup>3</sup>, titrated acidity 7.0 g/dm<sup>3</sup>. The wort was pasteurized at a temperature of 85 °C for 5 min, after cooling, regenerated ASD (active dry yeast) of the EC-1118 race of the Saccharomyces bayanus genus was added to the wort. The duration of wort fermentation was 42–58 days. The obtained unfortified blackberry wine materials had the following physicochemical indicators: volume fraction of ethyl alcohol 14.9 %, mass concentration of titrated acids – 6.7–7.0 g/dm<sup>3</sup>, volatile acids – 0.4–0.6, residual extract – 21.9–28.1 g/dm<sup>3</sup>, phenolic substances – 1850–2150 mg/dm<sup>3</sup>, ascorbic acid – 143–180 mg/dm<sup>3</sup>. Such unfortified wine materials are suitable for the preparation of unfortified strong wines with the addition of sugar, fructose or natural honey.. The organoleptic assessment of wines with the addition of white sugar is 8.5 points, with fructose – 8.8, and with natural honey – 9.1 points. In the process of making unfortified blackberry wines, the content of phenolic substances and ascorbic acid decreases due to dilution with water and sugar and losses during fermentation. The finished wines retain up to 46 % of phenolic substances and 38% of ascorbic acid in relation to their content in fresh fruits.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/327377 STUDY OF THE POSSIBILITY OF USING CHERRY GUM AND COLLAGEN PREPARATION IN THE TECHNOLOGY OF MANUFACTURING POLYCOMPONENT MOUSSE 2025-08-05T11:38:20+03:00 Nadiia A. Dzyuba dzyubanadya282@gmail.com Olena V. Bunyak bunyak.e.v@gmail.com Vita V. Atanasova bunyak.e.v@gmail.com <p><strong>The presented work is dedicated to the study of the possibility of developing a new type of sweet product for restaurants </strong><strong>–</strong><strong> a multi-component mousse of increased biological value with the preservation of high organoleptic properties of the product. Given that the products of the sweet category with a foamy structure are popular among visitors, this scientific development is relevant and timely. Cherry gum (Ukraine), collagen preparation (Ukraine), grapes, orange, walnut, sugar, cocoa powder were used in the work. The study of the viscosity of cherry gum solutions of different concentrations (1</strong><strong>–</strong><strong>9</strong><strong> </strong><strong>%) in an aqueous medium at different temperatures and duration of exposure was conducted, which indicates the relevance of using gum as a food thickener. The influence of the concentration of cherry gum on the structural characteristics of the food system, namely its foaming ability and stability of the obtained foamed structure and density, was determined. A mathematical model of the formulation of multicomponent mousse was obtained, which relates the content of biologically valuable substances and the degree of satisfaction of the daily human need for proteins, vitamin C and calcium and the mass concentration of its components. The microbiological stability of the developed product during storage was studied. The developed mousse is recommended to be stored within 5 days after production under the conditions of refrigerated storage. The technological scheme for the production of multi-component mousse to ensure production in the conditions of the restaurant industry is presented.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/353371 INVESTIGATION OF THE APPLICATION OF FRUIT RAW MATERIALS IN THE PRODUCTION TECHNOLOGY OF WHEY-BASED BEVERAGES 2026-05-05T15:20:54+03:00 Halyna P. Khomych homichgp27@ukr.net Anzhela B. Boroday homichgp27@ukr.net Yuliia H. Nakonechna nakonechna4554@gmail.com Victor M. Yukhno homichgp27@ukr.net Yuliia A. Matsuk yuliyamatsuk@gmail.com <p><strong>This article is devoted to a comprehensive study of the scientific and practical aspects of using fruit raw materials in the technology of beverages based on dairy whey as a promising secondary resource in the dairy processing industry. The relevance of the work is determined by the need for rational utilization of by-products of milk processing, enhancement of the biological value of beverages, and expansion of the range of functional food products. An analytical review of the current state of whey application in food production, particularly in non-alcoholic beverages, was conducted, highlighting the technological and economic advantages of its use. The aim of the study was to substantiate the feasibility of incorporating cranberry, black chokeberry, serviceberry, and blackcurrant juices into whey-based beverage formulations and to determine their effects on the quality parameters of the final product. It was established that the investigated fruit raw materials are characterized by high contents of biologically active compounds, including phenolic compounds, anthocyanins, organic acids, vitamins, and natural pigments. The fractional composition of organic acids and the polyphenolic profile of the juices were analyzed, confirming the predominance of anthocyanins as the main group of polyphenolic compounds, which provide pronounced antioxidant properties and contribute to the organoleptic quality of the beverages. The physicochemical and microbiological characteristics of dairy whey, selected as the base component of the formulations, as well as of the cranberry, black chokeberry, serviceberry, and blackcurrant juices, were investigated. Microbiological analysis confirmed their compliance with current safety requirements. Based on organoleptic evaluation, an optimal ratio of whey to fruit juices of 80:20 was determined, ensuring a balanced taste, aroma, and color. It was demonstrated that the use of cranberry, black chokeberry, serviceberry, and blackcurrant juices in whey-based beverage technology improves organoleptic, physicochemical, and microbiological parameters, enhances biological value, and promotes the efficient utilization of the resource potential of dairy whey.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/361671 STABILIZATION OF CAMELINA OIL-BASED EMULSION SYSTEMS WITH ROSMARINIC ACID: OXIDATION KINETICS AND INTERFACIAL EFFECTS 2026-05-21T08:20:33+03:00 Tatyana M. Stepanova tetiana.stepanova@snau.edu.ua Olha O. Vasylenko olha.vasylenko@snau.edu.ua Tatyana M. Holovko tetiana.stepanova@snau.edu.ua Maksym L. Zherebkin tetiana.stepanova@snau.edu.ua Vladyslav O. Herasymenko tetiana.stepanova@snau.edu.ua <p><strong>The work is devoted to solving the problem of oxidative stabilization of emulsion systems based on camelina oil (<em>Camelina sativa</em>) </strong><strong>–</strong><strong> a valuable and sustainable source of </strong><strong>ω</strong><strong>-3 polyunsaturated fatty acids </strong><strong>–</strong><strong> by incorporating a natural polar antioxidant, rosmarinic acid. The research is highly relevant in the context of green economy trends focused on developing functional food innovations and extending their shelf life. The distinct feature of this study is the determination of rosmarinic acid’s effect on oxidation kinetics and interfacial phenomena in oil-in-water emulsions during storage. The object of the study is the accumulation dynamics of oxidation products and the induction period of accelerated lipid oxidation under modeled conditions. An effective content of structural stabilizers (lecithin – 0.8</strong><strong>–</strong><strong>1.0</strong><strong> </strong><strong>%; xanthan gum – 0.0</strong><strong>–</strong><strong>0.1</strong><strong> </strong><strong>%) is proposed to ensure the physical integrity of the system. The optimal concentration range of rosmarinic acid (0.02</strong><strong>–</strong><strong>0.04</strong><strong> </strong><strong>%) is outlined, the addition of which leads to a synergistic effect with lecithin phospholipids at the interface, thereby increasing the induction period of accelerated lipid oxidation by 2.2</strong><strong>–</strong><strong>2.8 times. The dynamics of the peroxide value in the lipid fraction were investigated under various temperature conditions (0</strong><strong>–</strong><strong>15</strong><strong> </strong><strong>°C) over 15</strong><strong>–</strong><strong>60 days of storage. The results confirm the high efficacy of rosmarinic acid in retarding the degradation of polyunsaturated fatty acids. The applied aspect of the obtained results lies in the possibility of targeted modeling of stable functional agro-food, pharmaceutical, and cosmetic formulations based on highly nutritious camelina oil.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/355831 STUDY OF THERMODYNAMIC INDICATORS OF THE MOISTURE STATE IN EXPERIMENTAL CUPCAKE FORMULATIONS WITH THE ADDITION OF NON-TRADITIONAL RAW MATERIALS USING THE THERMOGRAVIMETRIC ANALYSIS 2026-03-27T16:02:10+02:00 Khrystyna I. Kovalchuk khristinakovalchuk1985@gmail.com Ruslan T. Mariychuk khristinakovalchuk1985@gmail.com Alina S. Tkachenko khristinakovalchuk1985@gmail.com Ihor G. Pandyak khristinakovalchuk1985@gmail.com Olga I. Gyrka khristinakovalchuk1985@gmail.com Oksana E. Pauk khristinakovalchuk1985@gmail.com Iryna V. Petlin khristinakovalchuk1985@gmail.com Oleksandra M. Horobets khristinakovalchuk1985@gmail.com Oksana Y. Davydovych khristinakovalchuk1985@gmail.com Nataliya S. Palko khristinakovalchuk1985@gmail.com <p><strong>The object of research was the technology of cupcake production using non-traditional raw materials. The study focused on investigating the forms of moisture binding in experimental cupcake samples in comparison with the control sample, the “Stolichny” cupcake. The experimental cupcake samples included buckwheat, oat, rye, and corn flours, powders of non-traditional plant raw materials, whey and skimmed milk powder, and beekeeping products, which replaced part of the wheat flour. The inclusion of these ingredients contributed to an increase in the content of vitamins, minerals, and essential amino acids in the experimental cupcake samples. Margarine was also partially replaced with vegetable oils (sesame, pumpkin seed, and walnut oil) to reduce the content of trans-isomers of fatty acids and increase the content of polyunsaturated fatty acids of the ω-3 and ω-6 families.</strong> <strong>At each stage of the production of experimental cupcake samples, an analysis of biological, chemical, and physical hazardous factors was carried out. A derivatographic study of experimental cupcake samples was carried out using the Q-1000 derivatograph device in the range from 25 to 220</strong><strong> </strong><strong>°С.</strong> <strong>Based on the results of thermogravimetric analysis, it was established that the amount of free moisture in the control sample of the “Stolichnyi” cupcake accounted for 63.0</strong><strong> </strong><strong>% of the total amount of moisture. In the experimental cupcake samples, a decrease in the proportion of free moisture was found: “Kunzhutnyi” cupcake – by 1.0, “Moryachok” – by 2.8, “Osinniy Aromat” – by 3.1, “Chornychnyi” – by 3.3, “Mitsnyi Horishok” – by 9.3, “Elitnyi” – by 15.9 and “Medok” – by 17.4</strong><strong> </strong><strong>% compared to the control sample.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/348373 PHASE RELATIONS FOR THE TERNARY CeO2-Lа2O3-Er2O3 SYSTEM at 1100 ºС IN AIR 2026-03-27T14:00:08+02:00 Oksana A. Korniienko Kornienkooksana@ukr.net Serhiy F. Korichev elena.krisuk@gmail.com Marina E. Bachurina o.korniienko@ipms.kyiv.ua Karina I. Kozlovska ketrinkozlovska@gmail.com Iryna S. Subbota 0503850107@ukr.net <p>The article presents the results of the investigation of phase equilibria in the ternary system CeO₂–La₂O₃–Er₂O₃. Samples of various compositions were synthesized and subjected to thermal treatment at 1100 °C. Based on the experimental data obtained, an isothermal section of the system at 1100 °C was constructed. The existence of the following solid solutions was established: F–CeO₂, C–Er₂O₃, A*–La₂O₃, as well as an ordered phase with a perovskite-type structure, LaErO₃. It was determined that the solubility of cerium dioxide in the crystal lattice of the ordered perovskite-type phase is 1%. According to X-ray phase analysis, the experimental sample with the composition 1 mol.% CeO₂ – 49.5 mol.% La₂O₃ – 49.5 mol.% Er₂O₃ belongs to the two-phase region (R(LaErO₃) + C), whereas increasing the cerium dioxide content to 2 mol.% leads to the stabilization of a third phase with a cubic fluorite-type structure.</p> <p>The study also revealed that along the CeO₂ – (50 mol.% La₂O₃ – 50 mol.% Er₂O₃) section, the lattice parameter of fluorite-type solid solutions increases with composition, from a = 0.5414 nm for the single-phase composition (95 mol.% CeO₂ – 2.5 mol.% La₂O₃ – 2.5 mol.% Er₂O₃), to a = 0.5464 nm for the two-phase composition (F + C, 65 mol.% CeO₂ – 17.5 mol.% La₂O₃ – 17.5 mol.% Er₂O₃), and to a = 0.5464 nm for the three-phase composition (F + C + R, 40 mol.% CeO₂ – 30 mol.% La₂O₃ – 30 mol.% Er₂O₃). It was established that under the conditions applied in this experiment, no new phases formed in the investigated ternary system.</p> <p>The isothermal section of the CeO₂–La₂O₃–Er₂O₃ phase diagram at 1100 °C contains four homogeneous solid solution regions: F–CeO₂, A–La₂O₃, C–Er₂O₃, and LaErO₃. According to Gibbs’ phase rule, these regions are bounded by two- and three-phase regions: the two-phase regions are (A + R), (A + F), (R + F), (R + C), (F + C); the three-phase regions are (A + F + R) and (R + F + C)</p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/345095 SYNTHESIS OF ZEOLITES OF THE CHABAZITE GROUP BASED ON NATURAL MINERALS OF NAKHCHIVAN: THE INFLUENCE OF VARIOUS FACTORS ON THE PROCESS OF THEIR CRYSTALLIZATION 2025-12-01T21:02:59+02:00 Nuray M. Azimova sevda.eliyeva@ndu.edu.az Gunel A. Mamedova gunelmamadova@mail.ru Sevda H. Aliyeva sevda.nihad2019@gmail.com Rena H. Jamalova rena.camal@gmail.com Gulnura M. Mammadova sevda.eliyeva@ndu.edu.az Mushkunaz B. Hasanova sevda.eliyeva@ndu.edu.az Kamala F. Ibrahimova sevda.eliyeva@ndu.edu.az Parvana E. Kalantarova sevda.eliyeva@ndu.edu.az Ramila E. Huseynova sevda.eliyeva@ndu.edu.az Aliye M. Pashayeva sevda.eliyeva@ndu.edu.az Afsana F. Heybatova sevda.eliyeva@ndu.edu.az <p><strong>Zeolites of the chabazite group (gmelinite, levyne, and erionite) having practical significance were synthesized on the basis of natural minerals of the Nakhchivan Autonomous Republic in the presence of a structure-directing agent – tetramethylammonium hydroxide. Samples of halloysite from the Pirigol deposit, volcanic glass (obsidian) from the peak of Gapydzhik, and dolomite from the Negram deposit, which were distinguished by phase purity, were used as natural minerals. The influence of temperature, concentration of the thermal solution, and processing time on the crystallization process of gmelinite, levyne, and erionite was studied. It is shown that the hydrothermal synthesis of gmelinite, levyne, and erionite was studied in the temperature range of </strong><strong>100</strong><strong>–</strong><strong>300</strong><strong> </strong><strong>°C, with the concentration of thermal solution NaOH, varying in the range of 10</strong><strong>–</strong><strong>35</strong><strong> </strong><strong>%, for 50</strong><strong>–</strong><strong>200 hours; 100</strong><strong>–</strong><strong>300</strong><strong> </strong><strong>°C, </strong><strong>with the concentration of the NaOH thermal solution varying in the range of 10–35%, for 50–200 hours; 100–300</strong><strong> </strong><strong>°C, with a NaOH concentration of 10–35</strong><strong> </strong><strong>%, for 50–150 hours; 100–200</strong><strong> </strong><strong>°C, with a NaOH concentration of 10–30</strong><strong> </strong><strong>%, for 10–20 hours, respectively.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/356785 SYNTHESIS AND CRYSTAL STRUCTURE OF COPPER(I) CHLORIDE π-COMPLEX BASED ON 3-ALLYLTHIO-4-ALLYL-5-(2-PYRIDYL)-4H-1,2,4-TRIAZOLE 2026-04-15T12:29:06+03:00 Юрій І. Сливка yura_slyvka@ukr.net Dmytro G. Dmytriv dmytro.dmytriv@lnu.edu.ua Grygoriy S. Dmytriv grygoriy.dmytriv@lnu.edu.ua Nazariy T. Pokhodylo pokhodylo@gmail.com Maciej Kubicki maciej.kubicki@amu.edu.pl Grzegorz Dutkiewicz gdutkiew@amu.edu.pl <p><strong>This work is devoted to the synthesis and structure characterization of a new copper(I) <em>η</em><sup>2</sup>-π-complex [Cu<sub>4</sub>(<em>Apt</em>)<sub>2</sub>Cl<sub>4</sub>] (1) based on </strong><strong>3-allylthio-4-allyl-5-(2-pyridyl)-4</strong><strong><em>H</em></strong><strong>-1,2,4-triazole</strong><strong> (<em>Apt</em>). Crystals of the compound were obtained by means of alternating current-electrochemical technique and studied by X-ray single crystal diffraction. The </strong><strong><br /></strong><strong>π-complex</strong> <strong>crystallizes in the monoclinic centrosymmetric space group <em>P</em>2<sub>1</sub>/<em>n</em> (<em>a</em> = 10.884(3), <em>b</em> = 10.944(3), <em>c</em> = 13.860(4) Å, <em>β = </em>93.96(3) °<em>,</em> <em>V</em> = 1647.0(8) Å<sup>3</sup>, <em>Z</em> = </strong><strong>2</strong><strong>) and is built of polymeric chains. In its crystal structure, two crystallographically independent copper(I) atoms have different coordination arrangements: Cu1 forms a close to trigonal-pyramidal coordination environment composed of two triazole N atoms, an allylic C=C bond, and one halogen atom, while distorted tetrahedral surrounding of Cu2 is formed by </strong><strong>pyrid</strong><strong>yl</strong><strong> N</strong><strong> atom and tree bridging Cl atoms. The pyridyl-substituted 1,2,4-triazole defines the formation of an infinite coordination polymer in 1. </strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/345003 QUASIBINARY SECTIONS OF THE In2S3-FeS–PbS SYSTEM 2026-03-27T20:21:29+02:00 Ulviyya A. Hasanova chemminfo@gmail.com Sharafat H. Mammadov chemminfo@gmail.com Ozbak M. Aliev chemminfo@gmail.com Nigar M. Allazova chemminfo@gmail.com Shafa B. Huseynova chemminfo@gmail.com <p><strong>Phase equilibria in the In</strong><strong>₂</strong><strong>S</strong><strong>₃</strong><strong>–FeS–PbS ternary system were investigated based on experimental studies of quasi-binary sections. The samples were synthesized by the ampoule method and examined using differential thermal analysis (DTA), X-ray diffraction (XRD), and microstructural Analysis (MSA). Seven quasi-binary sections (FeIn</strong><strong>₂</strong><strong>S</strong><strong>₄</strong><strong>–PbIn</strong><strong>₂</strong><strong>S</strong><strong>₄</strong><strong>, FeS–PbIn</strong><strong>₂</strong><strong>S</strong><strong>₄</strong><strong>, FeS–Pb</strong><strong>₆</strong><strong>In</strong><strong>₁₀</strong><strong>S</strong><strong>₂₁</strong><strong>, FePbIn</strong><strong>₄</strong><strong>S</strong><strong>₈</strong><strong>–In</strong><strong>₂</strong><strong>S</strong><strong>₃</strong><strong>, FeS–FePbIn</strong><strong>₄</strong><strong>S</strong><strong>₈</strong><strong>, </strong><strong>Fe<sub>1,5</sub>Pb<sub>5,5</sub>In<sub>10</sub>S<sub>22</sub></strong><strong>–PbIn</strong><strong>₂</strong><strong>S</strong><strong>₄</strong><strong>, </strong><strong>Fe<sub>1,5</sub>Pb<sub>5,5</sub>In<sub>10</sub>S<sub>22</sub></strong><strong>–PbS) were experimentally studied, and their quasi-binary character was established. In addition, limited solid-solution regions were observed in several of these sections. It was established that two quaternary compounds, FePbIn</strong><strong>₄</strong><strong>S</strong><strong>₈</strong><strong> and </strong><strong>Fe<sub>1,5</sub>Pb<sub>5,5</sub>In<sub>10</sub>S<sub>22</sub></strong><strong>, are formed in the In</strong><strong>₂</strong><strong>S</strong><strong>₃</strong><strong>–FeS–PbS system. These compounds were identified as congruently melting phases with melting temperatures of 1140 K and 1150 K, respectively. The </strong><strong>Fe<sub>1,5</sub>Pb<sub>5,5</sub>In<sub>10</sub>S<sub>22</sub></strong><strong> compound crystallizes in the monoclinic crystal system with lattice parameters a = 14.558 Å, b = 3.856 Å, c = 15.558 Å, </strong><strong>β</strong><strong> = 96.87°, V = 867 ų, Z = 1. The obtained experimental results allowed the phase equilibria to be established and provide a consistent description of phase relations in the In</strong><strong>₂</strong><strong>S</strong><strong>₃</strong><strong>–FeS–PbS system.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/352304 EXPRESS DETERMINATION OF TOXIC MICROELEMENTS IN BRINE AND MINERAL WATERS 3 USING HIGH FREQUENCY ULTRASOUND DURING HOMOGENIZATION OF EXTRACTS 2026-04-22T12:52:39+03:00 Oleg I. Yurchenko Oleksandrbaklanov27.03.20@gmail.com Іvan R. Shevchenko oleksandrbaklanov27.03.20@gmail.com Larisa V. Baklanova oleksandrbaklanov27.03.20@gmail.com Oleksandr М. Baklanov baklanov_oleksandr@meta.ua <p><strong>The possibility of using homogenization of chloroform extracts of diethyldithiocarbamates of lead, copper, and cadmium with a mixture of butyl acetate and acetone has been demonstrated. The optimal ratio of extract to homogenizing mixture was experimentally determined to be 1.0</strong><strong> </strong><strong>:</strong><strong> </strong><strong>1.0. In this case, the homogenizing mixture should consist of butyl acetate and acetone in a ratio of (1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>0.2–1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>0.5). The optimal parameters for ultrasound homogenization were defined as follows: frequency 12.0–14.0 MHz, intensity 3.0–4.0 W/cm<sup>2</sup>, and exposure time 3</strong><strong>–</strong><strong>4 minutes. A method for atomic absorption determination of lead, copper, and cadmium content in brines and waters was developed. The accuracy of the method was verified by analyzing the same samples using re-extraction (standard method) as well as the "added-found" method. The developed method provides the determination of lead in brines and waters with a Sr range from 0.076 to 0.084, copper with a Sr range from 0.072 to 0.078, and cadmium with a Sr range from 0.081 to 0.089. The method was successfully tested on tap water and brines. The use of ultrasonic homogenization of extracts combined with atomic absorption determination allows for rapid control of lead, copper, and cadmium content in waters and brines at levels equal to or below the maximum allowable maximum permissible concentration.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/358415 CLOUD POINT EXTRACTION PRECONCENTRATION AND SPECTROPHOTOMETRIC DETERMINATION OF MOLYBDENUM(VI) USING 7,8-DIHYDROXY-2,4-DIPHENYLBENZOPYRYLIUM PERCHLORATE 2026-04-26T13:57:25+03:00 Kyrylo V. Snihur 270892denis@gmail.com Olena M. Zhukovetska 270892denis@gmail.com Olena M. Guzenko 270892denis@gmail.com Tatiana M. Shcherbakova 270892denis@gmail.com Anhelina V. Demchuk 270892denis@gmail.com Denys V. Snigur 270892denis@gmail.com <p><strong>In this work, the conditions for cloud point extraction preconcentration of Mo(VI) in the form of a complex with perchlorate of 7,8-dihydroxy-2,4-diphenylbenzopyrylium into the micellar phase of the nonionic surfactant Triton X-100 were investigated and optimized. It was established that the addition of sodium salicylate to the system at pH 1.7 and a Triton X-100 concentration of 0.5 vol.% induces phase separation and micellar phase formation at room temperature, which simplifies the extraction procedure and avoids additional heating. Under the selected conditions, effective preconcentration of the analyte and stable spectrophotometric response were achieved. Based on these results, a spectrophotometric procedure was proposed for the determination of Mo(VI) after cloud point extraction. The calibration plot was linear in the concentration range of 8–320 μg/L. The limits of detection and quantification were 2.4 and 8.0 μg/L, respectively. The developed method was successfully applied to model solutions and a biologically active supplement, and the relative standard deviation did not exceed 5.0 %.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/346200 O-N-Cl GEMINAL SYSTEMS. STRUCTURE OF N-CHLORO-N-METHOXY-4-TOLUENESULFONAMIDE AND N-METHOXY-4-TOLUENESULFONAMIDE 2025-12-10T19:29:26+02:00 Vasiliy G. Shtamburg stamburg@gmail.com Evgeniy A. Klots stamburg@gmail.com Victor V. Shtamburg stamburg@gmail.com Andrey A. Anishchenko stamburg@gmail.com Svitlana V. Shishkina stamburg@gmail.com Alexander V. Mazepa stamburg@gmail.com Svetlana V. Kravchenko ggteylor@ukr.net <p><strong>Aim.</strong> Structural analysis of chemical compounds plays a crucial role in understan</p> <p><strong>Aim.Structural analysis of chemical compounds plays a crucial role in understanding their properties and chemical behavior. In this study, the aim is to investigate the structure of <em>N</em>-chloro-<em>N</em>-methoxy-4-toluenesulfonamide and to compare it with N-methoxy-4-toluenesulfonamide structure. Methods. <sup>1</sup>H, and <sup>13</sup>C NMR spectroscopy, mass spectrometry, a single crystal X-ray diffraction study. Results. It was found that in the molecule of</strong> <strong><em>N</em></strong><strong>-chloro-<em>N</em>-methoxy-4-toluenesulfonamide the amide nitrogen atom has a strongly pyramidal configuration. The sum of the bond angles centered on thisnitrogen atom is </strong><strong>3</strong><strong>24</strong><strong>.</strong><strong>1</strong><strong>°. In </strong><strong><em>N</em></strong><strong>-methoxy-4-toluenesulfonamide the degree of pyramidality of the nitrogen atom is significantly lower</strong><strong>, </strong><strong>the sum of the bond angles centered on thisnitrogen atom is </strong><strong>331.0°. </strong><strong> Structural analysis shows two notable features in <em>N</em>-chloro-<em>N</em>-methoxy-4-toluenesulfonamide. First, the N–Cl bond is elongated to 1.767(3) Å, exceeding the corresponding bond lengths in <em>N</em>-chloro-<em>N</em>-methoxyurea and <em>N</em>-chloro-<em>N</em>-methoxy-4-nitrobenzamide. Second, the N(1)–O(3)</strong> <strong>Me bond is shortened to 1.405(3) Å, relative to the values observed in <em>N</em>-methoxy-4-toluenesulfonamide and in dimethyl <em>N</em>-methoxy-<em>N</em>-(4-toluenesulfonyl)phosphoramidate. The most plausible explanation is that this bonds deformation may be caused by the action of the n<sub>O(Me)</sub>→ϭ•<sub>N-Cl</sub>anomeric effect. Conclusions. <em>N</em>-Chloro-<em>N</em>-methoxy-4-toluenesulfonamide, together with related <em>N</em>-alkoxy-<em>N</em>-chloro-R-sulfonamides, represents a distinct class of anomeric amides characterized by weakening of the N–Cl bond through an n<sub>O(Alk)</sub>→ϭ•<sub>N-Cl</sub>anomeric interaction. Thus, this work is important because it establishes a new concept in the chemistry of <em>N</em>-alkoxy-<em>N</em>-chloro-R-sulfonamides.</strong></p> <p>behavior. In this study, the aim is to investigate the structure of <em>N</em>-chloro-<em>N</em>-methoxy-4-toluenesulfonamide and to compare it with N-methoxy-4-toluenesulfonamide structure. <strong>Methods. </strong><sup>1</sup>H, and <sup>13</sup>C NMR spectroscopy, mass spectrometry, a single crystal X-ray diffraction study. <strong>Results. </strong><strong> </strong>It was found that in the molecule of <em>N</em>-chloro-<em>N</em>-methoxy-4-toluenesulfonamide the amide nitrogen atom has a strongly pyramidal configuration. The sum of the bond angles centered on this nitrogen atom is 324.1°. In <em>N</em>-methoxy-4-toluenesulfonamide the degree of pyramidality of the nitrogen atom is significantly lower, the sum of the bond angles centered on this nitrogen atom is 331.0°. Structural analysis shows two notable features in <em>N</em>-chloro-<em>N</em>-methoxy-4-toluenesulfonamide. First, the N–Cl bond is elongated to 1.767(3) Å, exceeding the corresponding bond lengths in <em>N</em>-chloro-<em>N</em>-methoxyurea and <em>N</em>-chloro-<em>N</em>-methoxy-4-nitrobenzamide. Second, the N(1)–O(3)Me bond is shortened to 1.405(3) Å, relative to the values observed in N-methoxy-4-toluenesulfonamide and in dimethyl N-methoxy-N-(4-toluenesulfonyl)phosphoramidate. The most plausible explanation is that this bonds deformation may be caused by the action of the n<sub>O(Me)</sub>→ϭ•<sub>N-Cl </sub>anomeric effect. <strong>Conclusions. </strong><em>N</em>-Chloro-<em>N</em>-methoxy-4-toluenesulfonamide, together with related <em>N</em>-alkoxy-<em>N</em>-chloro-R-sulfonamides, represents a distinct class of anomeric amides characterized by weakening of the N–Cl bond through an n<sub>O(Alk)</sub>→ϭ•<sub>N-Cl </sub>anomeric interaction. Thus, this work is important because it establishes a new concept in the chemistry of <em>N</em>-alkoxy-<em>N</em>-chloro-R-sulfonamides.</p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/351157 BENZOPHENONE-INITIATED PHOTO-CROSSLINKING OF PVA COMPOSITIONS AND THE PROPERTIES OF THE OBTAINED HYDROGELS 2026-01-30T13:32:31+02:00 Vasyl O. Vaskiv vasylvaskiv@gmail.com Dmytro I. Saiuk dimasayjk@gmail.com Viktor S. Tokarev vtokarev@lp.edu.ua <p><strong>This study aimed to develop </strong><strong>photo-crosslinkable hydrogel compositions based on polyvinyl alcohol (PVA), the </strong><strong>photoinitiator benzophenone (BP) and functional acrylic monomers, namely </strong><strong>acrylic acid </strong><strong>(AA), 2‑hydroxyethyl methacrylate (HEMA), methylene-bis-acrylamide (MBA)</strong><strong>.</strong><strong> A gradual increase in the content of gel fraction with UV irradiation time was observed for all composite films</strong><strong>, indicating progressive crosslinking. </strong><strong>PVA compositions with BP and AA, demonstrated the lowest content and the slowest increase in the gel fraction. </strong><strong>The addition of MBA resulted in rapid crosslinking and the highest gel fraction content, whereas HEMA-containing compositions required longer irradiation times to achieve comparable levels of crosslinking. </strong><strong>Water absorbability </strong><strong>depended on both film composition and gel fraction. Films containing BP, AA, and HEMA exhibited the highest water absorbability. Compositions containing BP, AA, and MBA demonstrated the best water resistance, the highest tensile strength and hardness, and the lowest elongation at break, indicating the formation of highly crosslinked hydrogel networks.</strong></p> <p><strong> </strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University http://chemistry.dnu.dp.ua/article/view/361596 DENSITY FUNCTIONAL THEORY INVESTIGATION AND MOLECULAR DOCKING ANALYSIS OF HYDROGEN-BONDED COMPLEXES OF CYANURIC ACID WITH ORTHOPHOSPHORIC ACID: STRUCTURAL, ELECTRONIC, AND SPECTROSCOPIC CHARACTERIZATION 2026-06-02T16:13:20+03:00 Ferangiz S. Aslonova sharipovms1981@gmail.com Uktam M. Mardonov sharipovms1981@gmail.com Muzafar S. Sharipov m.s.sharipov@buxdu.uz Shafiga J. Imanova sharipovms1981@gmail.com Feruza M. Nurutdinova sharipovms1981@gmail.com Gulyayra K. Kholikova sharipovms1981@gmail.com Nilufar Sh. Valiyeva sharipovms1981@gmail.com <p><strong>Two hydrogen-bonded molecular complexes of cyanuric acid (C₃H₃N₃O₃, CYA) with orthophosphoric acid (H₃PO₄) in 1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>1 and 1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>3 molar ratios were investigated by a combination of density functional theory (DFT) calculations, molecular docking (ArgusLab), and Fourier-transform infrared (FTIR) spectroscopy. Full geometry optimizations and harmonic frequency calculations were performed at the B3LYP/3-21G level using Gaussian 16. Both complexes were confirmed as true energy minima. The 1:1 complex features two intermolecular hydrogen bonds — N3–H···O(P) (H···O = 1.564 Å; N···O = 2.628 Å) and O(C=O)···H–O(P) (H···O = 1.528 Å) — while the 1:3 complex displays a symmetric, C₃-like arrangement in which each of the three carbonyl/N–H pairs of the triazine ring engages one H₃PO₄ molecule through equivalent dual hydrogen bonds. The HOMO–LUMO energy gaps of 5.672 eV and 5.955 eV for the 1:1 and 1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>3 complexes, respectively, indicate moderate reactivity and enhanced kinetic stability upon progressive phosphorylation. Global reactivity descriptors — ionization potential, electron affinity, chemical hardness, chemical potential, and electrophilicity index — reveal quantitative differences between the two assemblies. Mulliken population analysis shows significant polarization at N, C=O, and P=O sites. Molecular docking calculations in ArgusLab yielded binding energies of −11.3 kcal/mol (1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>1) and −27.6 kcal/mol (1</strong><strong> </strong><strong>:</strong><strong> </strong><strong>3), consistent with the formation of stable supramolecular adducts. Calculated vibrational frequencies reproduce the experimentally observed red-shifts of </strong><strong>ν</strong><strong>(N–H), </strong><strong>ν</strong><strong>(C=O), and </strong><strong>ν</strong><strong>(P=O) bands with good fidelity, supporting the proposed interaction mode. These results advance quantitative understanding of triazine–phosphate supramolecular chemistry relevant to flame-retardant design, crystal engineering, and biomedical materials.</strong></p> 2026-06-19T00:00:00+03:00 Copyright (c) 2026 Oles Honchar Dnipro National University