1. A review of analytical techniques for the analysis of oral smokeless products and heated tobacco productsMatjaž Rantaša, David Majer, Matjaž Finšgar, 2025, pregledni znanstveni članek Opis: The increasing popularity in recent years of oral smokeless products (OSPs) and heated tobacco products (HTPs) has raised significant public health and regulatory concerns. Although these products are often marketed as less harmful alternatives to traditional cigarettes, they differ considerably in both design and, more importantly, in their chemical composition. Notably, they contain potentially dangerous compounds such as tobacco-specific nitrosamines, flavorings, heavy metals, and nicotine, which can be addictive and harmful to human health at certain concentrations. This work provides an overview of the analytical techniques and methods used to analyze OSPs and HTPs, including the determination of moisture content and pH, the extraction of various compounds, the generation of HTP aerosol, and non-targeted analysis, as well as the quantification of extracted compounds using gas chromatography, liquid chromatography, and spectroscopy. Identifying and quantifying the chemical composition of OSPs and HTPs is essential for assessing their health impact and developing proper regulatory standards regarding these products. Ključne besede: gas chromatography, heated tobacco products, liquid chromatography, nicotine, oral smokeless products Objavljeno v DKUM: 13.11.2025; Ogledov: 0; Prenosov: 0
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2. Surface analysis of sodium metamizolate as an active pharmaceutical ingredient in solid formMatjaž Finšgar, Katja Andrina Varda, 2026, izvirni znanstveni članek Opis: This study focuses on the surface and subsurface characterization of a pharmaceutical tablet containing sodium metamizolate (NaMET), with an emphasis on mass spectrometry using time-of-flight secondary ion mass spectrometry (ToF-SIMS). ToF-SIMS enabled the identification of NaMET-specific fragment ions, which served as signals for the determination of the spatial distribution of this active pharmaceutical ingredient (API) within the tablet matrix. A ToF-SIMS fragmentation mechanism for NaMET was proposed based on the ToF-SIMS spectra analysis measured on a NaMET reference standard. 3D ToF-SIMS imaging showed heterogeneous localization of the API across a 5 μm depth. Complementary techniques, including 3D profilometry and atomic force microscopy (AFM), provided surface roughness and morphological data, while X-ray photoelectron spectroscopy (XPS) confirmed the elemental composition and chemical states. Depth profiling by XPS further supported the non-uniform distribution of NaMET. Ključne besede: matamizole, sodium metamizolate, ToF-SIMS, XPS, surface analysis, API Objavljeno v DKUM: 10.11.2025; Ogledov: 0; Prenosov: 5
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3. Python v kemiji in kemijskem inženirstvu : Učbenik za predmet Računalništvo v kemijiZorka Novak-Pintarič, Sanja Potrč, Miloš Bogataj, 2025 Opis: Učbenik Python v kemiji in kemijskem inženirstvu je namenjen študentom prvega letnika, ki se prvič srečujejo z računalniškim programiranjem. Na preprost in sistematičen način uvaja bralca v osnovne pojme programskega okolja Python ter postopno prikazuje njegovo uporabo pri reševanju izbranih problemov iz kemije in kemijskega inženirstva. Poleg osnov programiranja prinaša uvodne primere uporabe sodobnih digitalnih pristopov, kot sta podatkovna analiza in umetna inteligenca, s čimer študentom odpira vpogled v sodobne trende kemijsko-inženirske stroke. Publikacija je zasnovana tako, da razvija praktične računalniške spretnosti ter spodbuja samostojno učenje in nadaljnje raziskovanje. Učbenik je objavljen kot odprto učno gradivo, kar študentom, učiteljem in strokovnjakom, ki jih zanima uporaba Pythona v kemiji in kemijskem inženirstvu, omogoča dolgoročno podporo pri študiju in delu. Ključne besede: Python, kemija, kemijsko inženirstvo, programiranje, podatkovna analiza, učbenik Objavljeno v DKUM: 04.11.2025; Ogledov: 0; Prenosov: 7
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4. Modular flow synthesis of citric acid-coated superparamagnetic iron oxide nanoparticles : preliminary resultsSabina Vohl, Andreja Nemet, Janja Stergar, 2025, izvirni znanstveni članek Opis: Superparamagnetic iron oxide nanoparticles (SPIONs) with sizes below 10 nm are biocompatible and non-toxic, making them promising for biomedical applications. To prevent their agglomeration and enhance their functionality, the nanoparticles were coated with citric acid (CA), which modifies the surface charge, improves dispersion stability, and facilitates biomedical use. In this work, a modular flow-through microreactor system was employed to synthesize and coat the nanoparticles in a single, continuous two-step process. The system enables precise control over temperature and mixing, ensuring uniform reaction conditions and minimizing hot spots. The synthesized Fe3O4 nanoparticles exhibited an average crystallite size of ~5 nm (XRD) and particle sizes of 4–6 nm (TEM). FTIR analysis confirmed the successful surface functionalization with CA, while TGA indicated a coating mass fraction of approximately 4–20 wt%, increasing with higher CA concentration. Zeta potential measurements revealed strong colloidal stability, with values around −35 mV at pH 6.5. Among the tested CA concentrations, the sample with a molar ratio of Fe3O4:CA = 1:0.25 exhibited the most favorable properties, including narrow size distribution and improved dispersion stability. These findings demonstrate that the continuous modular flow approach enables the reproducible synthesis of highly stable, sub-10 nm CA-coated SPIONs, offering promising potential for biomedical applications, particularly as magnetic resonance imaging (MRI) contrast agents. Ključne besede: superparamagnetic iron oxide nanoparticles, citric acid, modular flow microreactor system, continuous synthesis, zeta potential measurements Objavljeno v DKUM: 03.11.2025; Ogledov: 0; Prenosov: 1
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5. OpenHENS: an open-source tool for heat exchanger network synthesisKeegan Keysers Hall, Andreja Nemet, Zdravko Kravanja, Timothy Gordon Walmsley, 2026, izvirni znanstveni članek Opis: The synthesis of heat exchanger networks (HENs) is an NP hard problem, made even more difficult by the requirement of commercial software licenses and coding ability. This paper introduces OpenHENS, a first-of-itskind open-source tool for HEN synthesis. In the literature, HEN synthesis based on mathematical programming almost exclusively relies on commercial MINLP (mixed-integer non-linear programming) solvers (e.g., BARON, Gurobi, etc.). Open source MINLP solvers, in contrast, lack the robustness, scalability and quality that are the hallmarks of commercial solvers. To overcome this challenge, OpenHENS embeds a novel three-step synthesis method that gradually increases the complexity of the model. The first two steps identify economically viable and thermodynamically feasible heat exchanger matches, removing the non-viable matches and reducing the problem size. In the third step, numerous HEN designs are obtained by evolving promising networks to obtain families of near-optimal solutions. OpenHENS was tested on thirteen benchmark problems and seven of the solutions were within 2 % of the total annualised cost (TAC) best-known solutions from literature. In eleven of the benchmark problems, OpenHENS returned more than 10 unique networks within 2 % of the best solution, enabling the engineer to select the most practical design with minimal cost difference. OpenHENS demonstrates that open-source software, when developed correctly, offers comparable performance to commercial software while promoting greater accessibility in industry. Ključne besede: heat exchanger network, process integration, optimization, mathematical programming, open source, Phyton Objavljeno v DKUM: 03.11.2025; Ogledov: 0; Prenosov: 1
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6. Zero-waste strategy of small wastewater treatment plants with integrated thermal treatment of generated solid wastesDanijela Urbancl, Christoph Hochenauer, Angelika Michaela Zachl, Nika Fekonja, Aleksandra Petrovič, Darko Goričanec, Marjana Simonič, 2025, izvirni znanstveni članek Opis: The aim of the study was to analyse two small wastewater treatment plants (SWTPs) and compare their treatment performance with the aim of developing a zero-waste strategy. The analyses showed that the second wastewater treatment plant had a problem with an increased phosphorus concentration in the wastewater as well as fluctuations in nitrogen removal. One of the key aspects was the recovery of phosphorus in the form of struvite precipitated on zeolite, which can be used as a fertiliser due to its significant nutrient content. The main benefit of the same SWTP is the separate collection of cellulosic material (labelled as sample RS), which has the potential for reuse as biochar, while from the first SWTP the sludge sample (labelled as sample SS) was taken and torrefied for comparison with RS. Both samples were torrefied at 250 ◦C and 350 ◦C in nitrogen and carbon dioxide atmospheres. The RS products obtained in CO2 atmosphere at 350 ◦C showed the best biochar properties, as they had a higher heating value (HHV) and a higher C content. Elemental analysis showed that the carbon content in RS and SS increased from 43 to 65 % and from 35 to 39 %, respectively. Measurement of the HHV of the torrefied RS product showed an increase from 17 to 26 MJ/kg, while for SS it increased from 15 to 17 MJ/kg. The comprehensive combustion index and the EMCI index show higher values for the RS samples torrefied at 350 ◦C. The H/C and O/C ratios are favourable for these samples, as the high quality of torrefied biomass is associated with the highest prices on the market. According to the TGA and FTIR analysis, the type of torrefaction atmosphere, in contrast to the torrefaction temperature, has little influence on the subsequent use of the torrefied samples in combustion. The results show that the integration of torrefaction for biochar production with phosphorus recovery by struvite precipitation is an efficient solution for waste management in small wastewater treatment plants. Ključne besede: wastewater treatment plant efficiency, torrefication, N2 atmosphere, CO2 atmosphere, solid biofuels, proximate and ultimate analyses, thermogravimetry Objavljeno v DKUM: 29.10.2025; Ogledov: 0; Prenosov: 6
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10. Machine learning in antiviral drug designAnja Kolarič, Marko Jukič, Urban Bren, 2026, pregledni znanstveni članek Opis: Viral infections pose a significant health threat worldwide. Due to the high mutation rates of many viruses and their reliance on host cellular machinery, the development of effective antiviral therapies is particularly difficult. As a result, only a limited number of antiviral agents is currently available. In parallel to modern vaccines, traditional antiviral drug development is both time-consuming and costly, underscoring the need for faster, more efficient approaches. In recent years, particularly since the beginning of the COVID-19 pandemic, machine learning (ML) together with broader artificial intelligence (AI), have emerged as powerful methodologies for drug discovery and offer the potential to accelerate the identification and development of antiviral agents. This review examines the application of ML in the early stages of antiviral drug discovery, with a particular focus on recent studies where ML methods have successfully identified hit compounds with experimentally demonstrated activity in biological assays. By highlighting these successful case studies, the review illustrates the growing impact of ML in advancing the discovery of urgently needed novel antivirals. Ključne besede: machine learning, artificial intelligence, antiviral compounds, biological activity Objavljeno v DKUM: 17.10.2025; Ogledov: 0; Prenosov: 4
Celotno besedilo (10,88 MB) |