Acta Chimica Slovenica最新文献

{"title":"DRUŠTVENE VESTI IN DRUGE AKTIVNOSTI SOCIETY NEWS, ANNOUNCEMENTS, ACTIVITIES.","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"S45-S64"},"PeriodicalIF":1.2,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical Study of the Stabilization of Lysine Through Pseudocyclic Conformation.","authors":"Germán Avila-Sierra, Aned De Leon, Ramón Ochoa-Landín, José Luis Cabellos, Santos Jesus Castillo","doi":"10.17344/acsi.2024.9099","DOIUrl":"10.17344/acsi.2024.9099","url":null,"abstract":"<p><p>This study investigates lysine's conformational behavior and thermal properties at the PBE0-GD3/Def2-TZVP level for geometry optimizations and CCSD(T)/Def2-TZVP level of theory for the calculation of thermal population. Lysine forms pseudocyclic conformations stabilized by hydrogen bonds between amino and carboxyl groups. We identified 36 conformers, split evenly between L- and D-lysine, with small energy differences between structures. When the pseudocyclic conformation is disrupted, the energy is highly affected. Lysine's geometries are remarkably sensitive to temperature. These findings highlight lysine's temperature sensitivity and its potential for diverse applications. Its structural plasticity across 0-1800 K suggests roles in material science, such as temperature-responsive semiconductor thin films, coatings, sensors, catalysis through tunable active sites, and biomedicine for drug delivery or protein stabilization. The insights provided by this study emphasize lysine's versatility as a biomolecule and its implications for technological innovation across multiple fields.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"382-387"},"PeriodicalIF":1.2,"publicationDate":"2025-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Radical Scavenging Activity: DFT and Multilinear Regression Studies of Benzofuran-1,3-thiazolidin-4-one Derivatives.","authors":"Fella Ati, Soraya Abtouche, Boubekeur Maouche, Meziane Brahimi","doi":"10.17344/acsi.2024.8963","DOIUrl":"10.17344/acsi.2024.8963","url":null,"abstract":"<p><p>The free radical scavenging activity of benzofuran Schiff base and thiazolidinone derivatives has been investigated using the density functional theory (DFT) calculations. Three primary mechanisms were developed: sequential proton loss electron transfer (SPLET), single electron transfer followed by proton transfer (SET-PT), and hydrogen atom transfer (HAT). Several thermodynamic descriptors were computed in both gas and solvent phases at the B3LYP/6-311G and 6-311G (d, p) level of theory. Our findings suggest that compounds 3a, 3c, 3f, 4d, and 4e may scavenge free radicals through one of these three pathways. The results indicate that SPLET is favored in polar environments, while HAT is the thermodynamically preferred mechanism in the gas phase and non-polar solutions. Electron-withdrawing groups (EWG) attached to the π conjugated system at the N position of the benzofuran derivatives decrease bond dissociation enthalpies (BDE), while electron-donating groups (EDGs) are helpful to decrease the ionization potentials (IPs). The results of the multilinear regression statistical analyses indicate a good correlation between the IC50 and ionization potential, in addition to the proton dissociation enthalpy, proton affinity, and the electron transfer enthalpy descriptors.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"359-370"},"PeriodicalIF":1.2,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Eco-friendly Synthesis, Characterization, and Biological Evaluation of Silver Nanoparticles from Verbascum uschakense Aqueous Extract.","authors":"Mürüvvet Kurt, Funda Çet","doi":"10.17344/acsi.2024.9058","DOIUrl":"10.17344/acsi.2024.9058","url":null,"abstract":"<p><p>Silver nanoparticles synthesized using Verbascum uschakense extract at a reaction temperature of 60 °C were characterized through multiple analytical techniques. These included ultraviolet-visible absorption spectroscopy, X-ray diffraction analysis, high-resolution transmission electron microscopy, and scanning electron microscopy coupled with energy dispersive X-ray spectroscopy. Ultraviolet-visible spectral analysis revealed a surface plasmon resonance peak at 432 nanometers, indicating the successful formation of silver nanoparticles. Microscopic analyses demonstrated that the nanoparticles were predominantly spherical in shape, with particle sizes ranging between 4 and 14 nanometers. X-ray diffraction analysis confirmed that the silver nanoparticles possessed a face-centered cubic crystal structure, as evidenced by characteristic diffraction peaks at 2θ values of 38.21°, 44.46°, 64.59°, and 77.48°, corresponding to the (111), (200), (220), and (311) planes, respectively. Regarding the biological activities, the antioxidant capacity of the aqueous extract of V. uschakense was evaluated by its ability to scavenge free radicals. At a concentration of 1 milligram per milliliter, the extract demonstrated a 86.93 percent scavenging effect against the stable radical 2,2-diphenyl-1-picrylhydrazyl. In comparison, the silver nanoparticles synthesized from the plant extract exhibited a 60.04 percent scavenging effect at the same concentration. Additionally, the silver nanoparticles showed strong inhibition in the 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radical scavenging assay, with values comparable to those obtained using the standard antioxidant TroloxThe antimicrobial properties of the biosynthesized silver nanoparticles were examined using the disc diffusion method. The nanoparticles exhibited inhibitory activity against several pathogenic microorganisms, including Staphylococcus aureus, Streptococcus mutans, Escherichia coli, Pseudomonas aeruginosa, Listeria monocytogenes, and fungal species belonging to the Candida genus. These results highlight the potential of V. uschakense-mediated silver nanoparticles as multifunctional bioactive agents with both antioxidant and antimicrobial properties. The study demonstrates that green synthesis offers a sustainable and effective approach to producing nanomaterials with potential applications in biomedical and pharmaceutical fields.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"371-381"},"PeriodicalIF":1.2,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electropolymerized polyaniline on electrospun silica nanofibers to prepare an SPME fiber for the sampling of linear alkylbenzenes.","authors":"Kolsoum Dalvand, Marzieh Rashidipour, Alireza Ghiasvand","doi":"10.17344/acsi.2024.8851","DOIUrl":"10.17344/acsi.2024.8851","url":null,"abstract":"<p><p>An organic-inorganic polyaniline-silica (PANI/SiO₂) nanocomposite was synthesized through a combination of electrospinning and in-situ polymerization. This synthetic strategy effectively minimized PANI aggregation during polymerization, resulting in a higher yield and improved structural uniformity. Taking advantage of these enhanced properties, the nanocomposite was electrodeposited onto a stainless-steel wire and employed as an efficient sorbent for the extraction of linear alkylbenzenes (LABs) via headspace solid-phase microextraction (HS-SPME), followed by analysis using gas chromatography coupled with flame ionization detection (GC-FID).  The structure and morphology of the synthesized sorbent were characterized using scanning electron microscopy (SEM) and Fourier-transform infrared spectroscopy (FT-IR) techniques. Response surface methodology (RSM) involving central composite design (CCD) was employed to evaluate the important experimental variables. Under the optimal conditions, linear dynamic ranges (LDRs) were in the range of 0.05-12  ng mL-1 for Φ-C11 (undecylbenzene) and Φ-C13 (tridecylbenzene), 0.02-12 ng mL-1 for Φ-C12 (dodecylbenzene) and Φ-C14 (tetradecylbenzene) with regression coefficient greater than 0.99. The limits of detection (LODs) were found to be 0.007-0.015 ng mL- 1. The developed HS-SPME-GC-FID method was successfully applied for extraction and determination of LABs in water and wastewater samples.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"347-358"},"PeriodicalIF":1.2,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electrochemical Sensors for Bisphenol A Analysis in Foods and Beverages - A New Approach in Food Quality Control.","authors":"Totka Dodevska","doi":"10.17344/acsi.2024.8918","DOIUrl":"10.17344/acsi.2024.8918","url":null,"abstract":"<p><p>Modern nanofabrication technologies combined with electrochemical techniques offer benefits in terms of extremely high sensitivity, low limit of detection, minimum power requirement, simplicity, and low cost of the electrochemical sensors making them powerful for food quality evaluation. The limited number of electrochemical non-enzymatic sensing platforms for bisphenol A (BPA) successfully applied for safety assessment of foods and beverages, testifies that the food matrices present significant challenges and there is still a need to improve the analytical performances of these devices. This review systematically explores the contributions of diverse functional nanomaterials, metal-organic frameworks, ionic liquids, and molecular imprinting in improving the sensor performance. A critical discussion on the latest interesting innovations and most promising electrochemical tools for BPA analysis is presented. By addressing the electrochemical aspects and challenges in the design of BPA sensors and exploring innovative solutions, the article offers insights into future prospects and avenues, paving the way for advancements in this field.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"217-237"},"PeriodicalIF":1.2,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient Synthesis of 2-Amino-4H-benzo[b] pyrans via Copper-periodic Mesoporous Organosilica Nanocomposites Catalyst in Aqueous Media.","authors":"Roghaye Ramazannejad Lori, Zahra Fahimeh Alsadat Mortazavi, Vajihe Nejadshafiee, Asadollah Hassankhani","doi":"10.17344/acsi.2024.8962","DOIUrl":"10.17344/acsi.2024.8962","url":null,"abstract":"<p><p>In this study, the efficient method was introduced for the preparation of copper-periodic mesoporous organosilica nanocomposites (Cu@MOS NCs) as a high performance heterogeneous nanocatalyst. Then the nanocomposite was characterized with various methods such as X-ray diffraction (XRD), BET analysis, SEM and EDS microscopy and thermogravimetric analysis (TGA). The Cu@MOS NC as nanocatalyst was applied for one-pot three component reactions of aromatic aldehydes, dimedone, and malononitrile for the effective and green synthesis of 2-amino-4H-benzo[b]pyran derivatives in high yields, with operational simplicity, environmental friendliness, wide applicability and reusability and easy recovery of the catalyst.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"339-346"},"PeriodicalIF":1.2,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332322","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Characterization of Nano-Sized Poly(1,4-Diaminonaphthalene) in Potassium Persulfate.","authors":"Ramil Rzayev, Natalia Sucman, Ion Geru, Eduard V Monaico, Bakhtiyar A Mammadov, Elvin Ibadov, Fliur Macaev","doi":"10.17344/acsi.2024.9032","DOIUrl":"10.17344/acsi.2024.9032","url":null,"abstract":"<p><p>A novel poly(1,4-diaminonaphthalene) was synthesized from the monomer 1,4-diaminonaphthalene at the nanoscale via an oxidative polymerization method. The reaction was conducted in an acidic (HCl) medium under an ultrasound homogenizer at 0 °C, while potassium persulfate was used as a radical initiator. This polymer has been characterized using various techniques, including FTIR, UV-Vis spectroscopy, thermogravimetric analysis (TGA), scanning electron microscopy (SEM), NMR analysis, and electron paramagnetic resonance (EPR) methods. The nanopolymers were found to be thermally stable up to 200 °C. EPR data further substantiated the presence of unpaired electrons on the nitrogen atoms within the polymer backbone.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"260-268"},"PeriodicalIF":1.2,"publicationDate":"2025-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal Structure Analysis and Anticancer Potential of a Naphthalene-Based Schiff Base Against Breast Cancer.","authors":"Tolga Göktürk, Turan Demircan, Tuncer Hökelek, Mervenur Yavuz, Ramazan Güp, Cansu Topkaya","doi":"10.17344/acsi.2025.9191","DOIUrl":"10.17344/acsi.2025.9191","url":null,"abstract":"<p><p>The crystal structure of the Schiff base compound 4-hydroxy-N-[(1Z)-1-(naphthalen-2-yl)ethylidene]benzohydrazide was determined using X-ray diffraction analysis, confirming the molecular structure previously inferred from spectroscopic data. The molecule exhibits nearly planar rings with specific dihedral angles. The crystal structure features intermolecular O-H···O and N-H···O hydrogen bonds that form a two-dimensional network, significantly stabilizing the structure. Hirshfeld surface analysis identified key intermolecular interactions, with notable contributions from H···C/C···H and H···H contacts. Energy calculations highlighted the dominant role of electrostatic interactions in the overall stability of the crystal. In vitro studies identified significant anticancer effects, with IC50 values of 38 µM for MCF7 cells and 57 µM for MDA-MB-231 cells, demonstrating dose-dependent inhibition of cell viability, migration, and clonogenic growth. In silico analyses revealed a strong binding affinity to ERRγ and predicted favorable oral bioavailability. KEGG pathway enrichment analysis of the predicted targets indicated their significant involvement in cancer-related pathways. The combined structural, in vitro, and in silico analyses provide a comprehensive understanding of the compound's properties, laying a strong foundation for future preclinical and clinical studies.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"329-338"},"PeriodicalIF":1.2,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"N,N'-Bis(4-Bromo-2-hydroxybenzylidene)ethylenediamine and Its Copper(II), Zinc(II) and Cobalt(III) Complexes: Synthesis, Crystal Structures and Urease Inhibition.","authors":"Rundong Lu, Jinkai Lei, Jiacheng Liu, Chi Liu, Liuxiu Chen, Wu Chen","doi":"10.17344/acsi.2025.9224","DOIUrl":"10.17344/acsi.2025.9224","url":null,"abstract":"<p><p>A new Schiff base compound N,N'-bis(4-bromo-2-hydroxybenzylidene)ethylenediamine (H2L) was prepared by reaction of 4-bromosalicylaldehyde with ethane-1,2-diamine in methanol. Reaction of H2L with copper acetate and zinc acetate in methanol, respectively, afforded two mononuclear complexes [CuL] (1) and [ZnL(OH2)] (2). Reaction of H2L with cobalt nitrate in the presence of ammonium thiocyanate in a mixture of methanol and DMF afforded a mononuclear cobalt(III) complex [CoL(NCS)(OH2)]·DMF (3). The free Schiff base and the complexes were characterized by elemental analysis and infrared spectra, as well as single crystal X-ray determination. 1H NMR spectrum was also performed for H2L. The deprotonated form of the Schiff base coordinates to the metal atoms through all the phenolate oxygen and imino nitrogen atoms. The Cu(II) atom in complex 1 is in square planar coordination. The Zn(II) atom in complex 2 is in square pyramidal coordination. The Co(III) atom in complex 3 is in octahedral coordination. The urease inhibitory assay reveals that the copper(II) complex has the most effective activity.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 2","pages":"321-328"},"PeriodicalIF":1.2,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144332326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}