Acta Chimica Slovenica最新文献

{"title":"Carbon dots loaded suppository containing D-mannose as a strategy against E. coli mediated vaginosis: An in vitro feasibility analysis.","authors":"Debaprasad Routray, Bhabani Sankar Satapathy, Himansu Bhusan Samal, Gurudutta Pattnaik","doi":"10.17344/acsi.2025.9670","DOIUrl":"10.17344/acsi.2025.9670","url":null,"abstract":"<p><p>Effective treatment of bacterial vaginosis (BV) remains a staggering task till today. This study proposes a novel strategy using nitrogen‑doped carbon dots (N@CDs) embedded in a D‑mannose suppository. N@CDs were synthesized via a one-pot hydrothermal method, characterized using HR-TEM, particle size (5.2 nm), zeta potential (-16.23 mV), XRD, photoluminescence intensity and Raman spectroscopy. The suppository, optimized through central composite design, was evaluated for hardness, melting point (35 - 40 °C), disintegration, mucoadhesion (4.9 ± 0.20 dyne/cm2×102), liquefaction (10.5 min), and reasonable antibacterial activity. FTIR confirmed no major excipient interactions. Further in vivo studies on BV induced animal model are underway for the future clinical viability of experimental N@CDs.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"496-513"},"PeriodicalIF":1.2,"publicationDate":"2026-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306652","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 studies, microbial evaluation and molecular docking of bis-diazoles derivatives of succinic acid.","authors":"Fouzia Benali, Fawzia Taieb Brahimi, Adel Ali Othman","doi":"10.17344/acsi.2025.9646","DOIUrl":"10.17344/acsi.2025.9646","url":null,"abstract":"<p><p>Five bis-diazole derivatives-specifically 1,2-bis(1,3,4-oxadiazole-2(3H)-thione-5-yl)ethane (6), 1,2-bis(4-amino-3-mercapto-4H-1,2,4-triazole-5-yl)ethane (7), 1,2-bis(3-mercapto-4H-1,2,4-triazole-5-yl)ethane (8), 1,2-bis(2-amino-1,3,4-thiadiazole-5-yl)ethane (9), and 1,2-bis(2-mercapto-1,3,4-thiadiazole-5-yl)ethane (10)-were synthesised using succinic acid as the precursor. The chemical structures of both the synthetic intermediates and the final compounds were elucidated through a combination of physicochemical characterisation and spectroscopic analysis. Furthermore, the synthesised compounds were evaluated for their antibacterial and antifungal activities, alongside their synergistic effects against a range of reference bacterial and fungal strains. In vitro antimicrobial assays were conducted against a panel of Gram-positive strains, including Staphylococcus aureus (ATCC 25923) and Enterococcus faecalis (ATCC 29212), as well as Gram-negative bacteria, such as Escherichia coli (ATCC 25922) and Pseudomonas aeruginosa (ATCC 27853). Ampicillin and gentamicin served as the reference antibiotic standards. Furthermore, the synthesised derivatives were screened against yeast strains, specifically Candida albicans (ATCC 71440), C. tropicalis (ATCC 71460), and C. parapsilosis (ATCC 71471), in addition to filamentous fungi including Aspergillus niger, A. flavus, and Alternaria sp. Amphotericin B and ketoconazole were employed as antifungal reference standards. The majority of the synthesised compounds demonstrated significant antimicrobial and antifungal activities comparable to the reference drugs; notably, the combination of compounds 6 and 7 exhibited a synergistic effect against the Staphylococcus aureus strain. Molecular docking studies were conducted to corroborate the experimental findings. This computational approach was applied to ten bacterial and fungal proteins to elucidate the intermolecular interactions, binding affinities, and structural stability of the resulting ligand-protein complexes. Such insights facilitate the targeted application of these compounds in specific therapeutic contexts.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"466-479"},"PeriodicalIF":1.2,"publicationDate":"2026-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306449","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":"Chemical composition and enzymatic inhibitory activities related to diabetes of Hedychium malayanum rhizome and leaf essential oils essential oils.","authors":"Mai Tran Thi Ngoc, Thuy Phan Thi, Hieu Tran Trung, Ha Nguyen Thu, Trang Tran Huyen, Huyen Mai Khanh, Chung Nguyen Thi, Anh Cao Van, Thi Ho Le, Ngan Nguyen Thi, Ha Nguyen Xuan, Duc Xuan Dau","doi":"10.17344/acsi.2026.9764","DOIUrl":"10.17344/acsi.2026.9764","url":null,"abstract":"<p><p>In this study, the composition of essential oils (EOs) from H. malayanum rhizomes and leaves, collected from Bidoup-Núi Bà National Park in Southern Vietnam, and their α-amylase and α-glucodase activity are demonstrated. Gas chromatography-mass spectrometry (GC-MS) analysis identified 34 compounds (99.54%) in rhizome EO and 40 compounds (99.13%) in leaf EO. The major components of rhizome EO included 1,8-cineole (39.33±0.34), β-pinene (23.36±0.13), α-pinene (9.65±0.03), and α-limonene (5.57±0.06), while the leaf EO was rich in β-pinene (57.8±0.25), α-pinene (14.93±0.13), and β-(E)-caryophyllene (9.43±0.17). Both oils exhibited α-amylase inhibitory activity, with IC50 values of 499.10± 6.20 μg/mL (LHM-EO) and 609.04 ± 14.72 μg/mL (RHM-EO), respectively, which were lower than the reference compound, acarbose (IC50 = 271.51±13.51 μg/mL). Unfortunately, both H. malayanum EOs were found to be inactive against α-glucosidase under the tested experimental conditions. To our best knowledge, this is the first report on the composition of rhizome EO and bioactivities of H. malayanum from Vietnam.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"480-488"},"PeriodicalIF":1.2,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306627","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 of a novel polyacrylamide/bentonite micro-composite for coagulation and flocculation water treatment.","authors":"Asma Mansri, Fatima Zahra Benhachem, Meriem Bendjelloul","doi":"10.17344/acsi.2024.8858","DOIUrl":"https://doi.org/10.17344/acsi.2024.8858","url":null,"abstract":"<p><p>A novel poly(acrylamide)/bentonite micro-composite (PAM/BC) was synthesized via in-situ radical polymerization of acrylamide in the presence of bleaching clay (BC), serving as an inorganic filler. The resulting micro-composite was comprehensively characterized by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDX) to elucidate its thermal, structural, and morphological properties. The coagulation-flocculation performance of PAM/BC was evaluated in a 30 mg/L clay suspension using both Jar-test and semi-industrial pilot-scale experiments. The micro-composite achieved turbidity removal efficiencies exceeding 70%, with optimal conditions at pH 6.7 and a flocculant dose of 1.41 mg/L. Comparative assessment with conventional flocculants confirmed the superior performance of PAM/BC. These results highlight the potential of PAM/BC as an efficient, low-dose, and environmentally compatible flocculant for water treatment applications.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"459-465"},"PeriodicalIF":1.2,"publicationDate":"2026-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306523","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":"Design and one-pot synthesis of new 1,4-disubstituted 1,2,3-triazoles: acetylcholinesterase inhibitory activity and in silico studies.","authors":"Sarra Lasmari, Sofiane Ikhlef, Mohamed Abdesselem Dems, Chawki Bensouici, Raouf Boulcina","doi":"10.17344/acsi.2026.9748","DOIUrl":"10.17344/acsi.2026.9748","url":null,"abstract":"<p><p>In this study, two novel 1,2,3-triazole derivatives was designed and synthesized from 1-(4-(bromomethyl)phenyl)-3,5-dimethyladamantane precursors via reactions with sodium azide and terminal alkynes. The synthesized compounds were evaluated for their anticholinesterase potential and compared with standard reference inhibitors, showing moderate to excellent inhibitory activity against both acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Among them, 3a emerged as the most potent dual inhibitor, with IC₅₀ values of 8.56 ± 1.17 μM (AChE) and 13.27 ± 1.20 μM (BuChE). To further elucidate their behavior, a comparative theoretical and experimental investigation of 3a and 3b was performed using frontier molecular orbital, quantum descriptor, ESP, IR, and TD-DFT analyses, which revealed distinct electronic and conformational features influencing their biological interactions. Molecular docking confirmed stronger binding and inhibitory activity of 3a toward both enzymes, while ADMET predictions highlighted its CNS drug-likeness. These integrated findings underscore the potential of adamantane-based triazoles as promising scaffolds for the design of novel cholinesterase inhibitors.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"412-424"},"PeriodicalIF":1.2,"publicationDate":"2026-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306689","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":"In vitro estimation of human skin permeability and retention and quantitative structure-property analysis of selected chalcones.","authors":"Vladimir Dobričić, Nastasija Anđelković, Milkica Crevar, Nemanja Turković, Zorica Vujić, Branka Ivković","doi":"10.17344/acsi.2025.9677","DOIUrl":"10.17344/acsi.2025.9677","url":null,"abstract":"<p><p>This study aimed to evaluate the in vitro skin permeability and retention of 21 selected chalcone derivatives using the parallel artificial membrane permeability assay (PAMPA), and to develop quantitative structure-property relationship (QSPR) models to identify structural features influencing these properties. All compounds exhibited low skin permeation (CA(t)/CD(0) ≤ 5.27%), with several ones showing high membrane retention (R > 30%), making them suitable for topical application. CH20 emerged as the most promising compound due to its high retention (66.10%) and low permeation. The most reliable QSPR models (OLS and PLS) revealed that permeability decreases with the addition of electronegative substituents, especially in meta and para positions, and that retention is positively influenced by molecular features such as lower polarizability and the presence of non-voluminous substituents. These findings support the potential of chalcones as topical agents and provide a framework for rational design of future compounds with optimized dermal delivery characteristics.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"396-404"},"PeriodicalIF":1.2,"publicationDate":"2026-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306819","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":"Can e-waste be a resource to prepare useful catalysts? - A review.","authors":"Antony Rajendran, Malathi Devi Sundaramoorthy, Madhavan Durairajan","doi":"10.17344/acsi.2026.9735","DOIUrl":"https://doi.org/10.17344/acsi.2026.9735","url":null,"abstract":"<p><p>Electronic and electrical devices have become indispensable due to their dominance in every sector, i.e., from the kitchen to transportation. Despite the invaluable contribution, the use of electronic and electrical devices leads to the accumulation of a massive amount of electronic waste (e-waste), which in turn causes environmental pollution and geopolitical issues. Out of 62 million tons of e-waste released during 2022, only 22% was recycled, underlining the importance of new strategies to tackle this e-waste. As e-waste materials contain valuable metals like copper and gold, they could be utilized as potential metallic sources. Therefore, extracting these metals from e-waste and subsequently utilizing them as catalysts in diverse chemical reactions has become vibrant. Intriguingly, this would reduce the cost of chemicals, which are prepared using catalysts, in addition to tackling environmental pollution. Considering the importance of e-waste as a potential resource for preparing catalysts, this review attempts to discuss the catalysts recovered from e-waste and their applications in various chemical transformations. The types of e-waste materials have been explained at the outset to understand their composition, especially the metals. Next, gold- and copper-based catalysts derived from e-waste have been discussed due to their excellent catalytic properties. A special emphasis is given to the catalysts derived from the e-waste of spent Li-ion batteries, considering their rapid growth, safety concerns, and metal content. The other possible catalysts prepared from e-waste have also been reviewed before the conclusion.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"289-306"},"PeriodicalIF":1.2,"publicationDate":"2026-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306647","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":"Exploring zingerone 2-thiohydantoins as anticancer agents against breast adenocarcinoma: Cytotoxicity, HSA and DNA binding, molecular docking and ADMET prediction.","authors":"Petar Stanić, Ana Rilak-Simović, Katarina Virijević, Jovana Muškinja, Nevena Jeremić, Goran Janjić, Biljana Šmit","doi":"10.17344/acsi.2025.9631","DOIUrl":"10.17344/acsi.2025.9631","url":null,"abstract":"<p><p>This study investigates a series of zingerone 2-thiohydantoins for anticancer activity towards human breast adenocarcinoma and explores possible mechanisms of anticancer action. Cytotoxicity was tested on highly invasive triple negative breast cancer MDA-MB-231 cells and healthy MRC-5 cells. The most active compound 2e exerted a significant cytotoxic effect on breast cancer cells, while exhibiting no measurable toxicity on healthy cells. Fluorescence measurements of interactions with human serum albumin, combined with molecular docking, showed strong binding and transport capabilities, suggesting good bioavailability. Fluorescence and hydrodynamic measurements with DNA displayed lower binding affinity, suggesting that protein targets are responsible for anticancer action. Thorough molecular docking screening on 36 possible breast adenocarcinoma protein targets was performed and results suggest competitive inhibition of DNA methyltrasferase 1 as the mechanism of anticancer action. ADMET analysis predicted favorable physicochemical and pharmacokinetic properties.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"371-384"},"PeriodicalIF":1.2,"publicationDate":"2026-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306744","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":"Chemical inhibition of EGFR signaling by BI 4732 in Caco-2 colorectal cancer cells.","authors":"Aydin Sever","doi":"10.17344/acsi.2025.9724","DOIUrl":"10.17344/acsi.2025.9724","url":null,"abstract":"<p><p>Colorectal cancer (CRC) is a major health problem worldwide, and treatment has not been sufficiently successful. EGFR inhibitors are one of the treatment options used in CRC therapy; however, due to developing resistance, there is a need for next-generation inhibitors. This study investigated how BI 4732, a next-generation EGFR inhibitor, affects WST-1 viability, colony formation, migration, soft agar, and 3D spheroid formation capabilities in Caco-2 cells. BI 4732 was found to inhibit viability in Caco-2 cells in a dose-dependent manner (IC50 983 ± 4.78 nM), significantly reduced colony formation at 40 and 80 nM treatment (p < 0.05 and p < 0.01, respectively), decreased the cells' mobilization ability (p < 0.01), and significantly inhibited soft agar colony formation and spheroid formation (p < 0.05). These results provide important preclinical data demonstrating the high in vitro efficacy of BI 4732 in the Caco-2 cell line.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"405-411"},"PeriodicalIF":1.2,"publicationDate":"2026-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306712","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":"Pre-service primary school teachers' motivation for learning chemistry and their gifted behavioural scores in chemistry.","authors":"Luka Ribič, Luka Vinko, Miha Slapničar, Iztok Devetak","doi":"10.17344/acsi.2025.9641","DOIUrl":"10.17344/acsi.2025.9641","url":null,"abstract":"<p><p>Motivation is an important factor predicting students' academic achievements, and higher levels of motivation have been observed in gifted students. Building on this, the present study explores the relationship between pre-service primary school teachers' motivation for learning chemistry, their intrinsic motivation for understanding the chemistry triplet, and their gifted behavioural scores in chemistry. A total of 80 first-year pre-service teachers participated in the study using three questionnaires. Results showed no statistically significant differences between students' overall motivation for learning chemistry (Relative Autonomous Index - RAI) and their intrinsic motivation for learning the chemistry triplet, nor between motivation and gifted behavioural scores. However, significant differences were found between students gifted behavioural scores and their intrinsic motivation across all three levels of chemical representation, with gifted students showing higher motivation. Students demonstrated the highest intrinsic motivation for learning on the macroscopic level, while they were least motivated to learn the symbolic level. These findings highlight the importance of tailored instructional strategies that support both gifted and non-gifted students in navigating the abstract nature of chemical concepts. Enhancing visualization and fostering autonomy may improve intrinsic motivation and conceptual understanding. The study also suggests that gifted behavioural scores play a role in students' engagement with complex scientific content, emphasizing the need to consider individual learner characteristics in teacher education programs.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 2","pages":"385-395"},"PeriodicalIF":1.2,"publicationDate":"2026-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306763","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}