{"title":"Antimicrobial and anticancer evaluation of Juniperus chinensis seed oil with molecular docking of α-cedrol-AKT1.","authors":"Mürüvvet Kurt, Safiye Elif Korcan, Serap Yalçın Azarkan","doi":"10.17344/acsi.2025.9517","DOIUrl":"10.17344/acsi.2025.9517","url":null,"abstract":"<p><p>In this study, the essential oil of Juniperus chinensis L. seeds was analyzed by GC-MS, identifying 25 compounds comprising 99.78% of the oil. α-Pinene (79.63 ± 0.45%) was the major component, followed by β-myrcene, β-pinene, and DL-limonene. The oil exhibited antimicrobial activity with inhibition zones of 11 mm (S. aureus), 6 mm (E. coli), and 4 mm (S. mutans). Antifungal effects were noted against Fusarium solani and Aspergillus niger. Cytotoxicity assays revealed selective effects on MDA-MB-231 breast cancer cells (IC50: 38 µg/mL), with no toxicity to MCF-10A normal cells. Molecular docking demonstrated strong binding affinity of α-cedrol to AKT-1 protein (-7.5 kcal/mol), supported by RMSD stability analysis and hydrogen bonding. ADME profiling confirmed favorable drug-likeness of α-cedrol. These results suggest that J. chinensis L. seed essential oil, particularly as a complex phytochemical mixture containing α-cedrol, holds promise as a natural source for antimicrobial and anticancer agents.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"223-235"},"PeriodicalIF":1.2,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589286","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}
Mojtaba Ghorbani, Saeed Taghvaei-Ganjali, Aliakbar Tarlani, Mandana Saber-Tehrani, Jacques Muzart
{"title":"Diazonium acid-dyes elimination via complexation with sulfonated calix[4]arene soluble in aqueous medium; on an experimental and theoretical study.","authors":"Mojtaba Ghorbani, Saeed Taghvaei-Ganjali, Aliakbar Tarlani, Mandana Saber-Tehrani, Jacques Muzart","doi":"10.17344/acsi.2025.9558","DOIUrl":"https://doi.org/10.17344/acsi.2025.9558","url":null,"abstract":"<p><p>This research highlights the effectiveness in employing a sulfonated para-tert-butylcalix[4]arene derivative (SCX4) as an effective molecular host for adsorption of acidic azo dyes in aqueous environment. Due to its inherent stability and rigidity, this chemical may be suitable as a host for host-guest interactions. Therefore, the sulfonated calixarene was used to study its complexation properties with the dyes, namely Acid Red 88 (AR88) and Acid Orange 7 (AO7) as adsorbing guests. Calculated formation constants (Kf) for the SCX4/dyes complexes were estimated from comparison of the absorption intensities. The formation constants were 5.1∙104 M-1 and 5.2∙104 M-1, correspondingly. Calculated stoichiometric ratios of the complexes were evaluated via Benesi-Hildebrand diagrams, which gave a ratio of 1:1. The equilibrium adsorption data of Acid Orange 7 were evaluated via three adsorption isotherm models including Freundlich, Temkin and Langmuir. The adsorption isotherms showed compatibility with three different approaches. The findings suggest that the Freundlich model better covers this adsorption process. Using a DFT-based approximation revealed the preferred structure of SCX4 and its complex with Acid Orange 7.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"183-196"},"PeriodicalIF":1.3,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589206","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}
Rina R Krasniqi, Emil Popovski, Gašper Tavčar, Jan Jelen, Olaf Kunert, Ahmed Jashari
{"title":"Synthesis of some novel sulfonamides with coumarin core. An unexpected product of the reaction.","authors":"Rina R Krasniqi, Emil Popovski, Gašper Tavčar, Jan Jelen, Olaf Kunert, Ahmed Jashari","doi":"10.17344/acsi.2025.9578","DOIUrl":"10.17344/acsi.2025.9578","url":null,"abstract":"<p><p>The diverse biological activities have set coumarins as promising structural candidates for drug development. A key modification in this work, intended to enhance their pharmacological profile, comprises the incorporation of sulfonamide group, thereby conferring new functional properties. Investigation of the synergistic effects of coumarin and sulfonamide moieties is expected to provide valuable insights into the design of novel therapeutic agents. During the synthesis of coumarin-based sulfonamides, an unexpected side-product was isolated and identified, offering new information for the reactivity of the coumarin core.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"216-222"},"PeriodicalIF":1.2,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589369","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}
Siti Khadijah Ab Rahman, Nurhamizah Rahmat, Mohd Rizal Md Razali, Wee Kian Yeo
{"title":"Determination of diuretics in the whey protein supplements: uncovering hidden contaminants in the sports nutrition market.","authors":"Siti Khadijah Ab Rahman, Nurhamizah Rahmat, Mohd Rizal Md Razali, Wee Kian Yeo","doi":"10.17344/acsi.2025.9226","DOIUrl":"10.17344/acsi.2025.9226","url":null,"abstract":"<p><p>The widespread use of whey protein supplements raises concerns about contamination with banned diuretics, posing health risks and the potential for inadvertent doping. In this study, a liquid-liquid extraction (LLE) procedure coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) was developed and validated for the simultaneous detection of 23 diuretics in whey protein supplements. The method was assessed for selectivity, linearity, matrix effect, recovery, precision, and sensitivity. Statistical evaluation using the Shapiro-Wilk and Levene's tests confirmed that most calibration residuals exhibited a normal distribution and homogeneity of variance, ensuring the reliability of the regression model. The method demonstrated excellent linearity (R² = 0.980-0.999) and low method detection limits (MDLs, 0.39-2.73 ng/g). A total of 58 commercially available whey protein supplements were analysed, and bendroflumethiazide (D4) was detected in 12 samples, with concentrations ranging from 1.4 to 40.4 ng/g. These findings highlight the applicability of the validated method for routine monitoring and underscore the urgent need for stringent quality control and regulatory oversight in the sports supplement industry to protect consumer health and maintain fair competition.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"197-206"},"PeriodicalIF":1.2,"publicationDate":"2026-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589224","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":"Differential pulse anoding voltammetric determination of torasemide using carbon paste electrode.","authors":"Sayed I M Zayed, Ibrahim H I Habib","doi":"10.17344/acsi.2025.9329","DOIUrl":"10.17344/acsi.2025.9329","url":null,"abstract":"<p><p>Torasemide electrochemical behavior at a carbon paste electrode was investigated and optimized using cyclic and differential pulse voltammetry in 0.04 mol/L Britton-Robinson (BR) buffer pH 2.8. Cyclic voltammetry showed that the oxidation process was irreversible and primarily controlled by diffusion. The responses of differential pulse were linear over the torasemide concentration range of 0.35-4.13 µg/mL, with detection and quantification limits of 0.110 and 0.367 µg/mL, respectively. The suggested voltammetric method was successful in detecting torasemide in its pharmaceutical preparation (Torsamolex 20 mg tablets) as well as in spiked urine matrix, demonstrating its suitability for pharmaceutical quality control and potential applications in clinical analysis.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"207-215"},"PeriodicalIF":1.2,"publicationDate":"2026-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589293","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":"Multi synthetic fuel products production from waste and flue gas using the carbon effect technique.","authors":"Anita Kovač Kralj, Tina Kegl","doi":"10.17344/acsi.2025.9538","DOIUrl":"https://doi.org/10.17344/acsi.2025.9538","url":null,"abstract":"<p><p>The usage of fossil fuels and accumulation of waste into landfills have a negative effect on the environment and generates climate changes. Waste and flue gas conversions into multi alternative synthetic fuel products and energy have the potential for CO2 emission reduction by using the complete circular economy and the carbon effect technique. The novelties of this study include the carbon effect technique, which predetermines the amounts of products' production and energies' heat flows, dependent on the carbon amount, into raw materials, and predetermined carbon conversion into CO and CO2. This technique also contains a simpler mathematical model for predetermining the amount of different synthetic fuel products' production using the same raw material and process units. The individual synthetic fuels with different addition amounts can also be used as a new fuel mixture. This approach is illustrated by the multi alternative production of synthetic fuel productions, such as methanol, ethanol and gasoline, by using MSW and flue gas, and the carbon technique, which can reduce CO2 emissions by 3.5 106 kmol/a.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"154-161"},"PeriodicalIF":1.3,"publicationDate":"2026-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589303","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, synthesis, X-ray structure, Hirshfeld surface, and NLO behavior of 3-bromo-2-[(2E)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]benzoic acid.","authors":"Souheyla Chetioui, Mansour Azayez, Ouarda Brihi, Djebar Hadji, Zohra-Douaa Benyahlou, Youcef Megrouss, Abdelkader Chouaih, Mokhtaria Drissi, Jean-Pierre Djukic, Salem Yahiaoui","doi":"10.17344/acsi.2025.9398","DOIUrl":"https://doi.org/10.17344/acsi.2025.9398","url":null,"abstract":"<p><p>The crystalline form of the compound, 3-bromo-2-[(2E)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]benzoic acid (BOHB), has been synthesized in good yield by diazotization of 2-amino-3-bromobenzoic acid followed by a reaction with β-naphthol. The XRD-crystal measurements and DFT calculations confirmed that the hydrazone was the favored form. The structure of the synthetic product was also examined by IR and NMR spectroscopic methods. Using Hirshfeld surface analysis, interactions in the crystal have been highlighted, where many contributors are identified such as H···H (24.7%), O···H/H···O (20.6%), H···C/C···H (17.0%), and Br···H/H···Br (15.0%). Furthermore, the novel benzoic acid derivative was investigated for its nonlinear optical (NLO) properties. Computational results indicate that the compound shows enhanced first hyperpolarizability values relative to common reference systems. This suggests the benzoic acid derivative might offer a potential structural basis for exploring materials for selected NLO applications.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"140-153"},"PeriodicalIF":1.3,"publicationDate":"2026-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589244","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}
Lei Shi, Xiaoniu Hong, Xinyue Zhang, Fu-Ming Wang, Feng Guo
{"title":"Synthesis, characterization and antimicrobial activity of fluoro-containing aroylhydrazones.","authors":"Lei Shi, Xiaoniu Hong, Xinyue Zhang, Fu-Ming Wang, Feng Guo","doi":"10.17344/acsi.2025.9574","DOIUrl":"10.17344/acsi.2025.9574","url":null,"abstract":"<p><p>2-Fluorobenzohydrazide reacted with various benzaldehydes afforded five new aroylhydrazones, which were characterized by elemental analysis, IR, UV-Vis and 1H NMR spectroscopy. Detailed structures of four compounds were further determined by single crystal X-ray diffraction. Antibacterial activities of reported compounds on Bacillus subtilis, Staphylococcus aureus, Escherichia coli, and Pseudomonas fluorescence, and antifungal activities on Candida albicans and Aspergillus niger were assayed. The biological assay indicated that the presence of electron-withdrawing groups in the benzaldehydes can improve antimicrobial activities.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"133-139"},"PeriodicalIF":1.2,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589372","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}
Beriwan Muhamad Hamad Ameen, Karwan Omer Ali, Rezan Ali Saleh
{"title":"Nickel(II) complex derived from 5-phenyl-1,3,4-oxadiazole-2-thiol and dppe ligands: synthesis, crystal structure, cytotoxicity and theoretical studies.","authors":"Beriwan Muhamad Hamad Ameen, Karwan Omer Ali, Rezan Ali Saleh","doi":"10.17344/acsi.2025.9603","DOIUrl":"https://doi.org/10.17344/acsi.2025.9603","url":null,"abstract":"<p><p>In this study, the novel Ni(II) complex [Ni(N-L)(S-L)(dppe)], where L = 5-phenyl-1,3,4-oxadiazole-2-thiol (HL), was synthesised. The Ni(II) complex was characterised by FT-IR and UV-Vis spectroscopy, molar conductivity, and single-crystal X-ray diffraction. The complex crystallises in a monoclinic system (P21/c) with a distorted square-planar geometry. One HL ligand coordinates with the Ni(II) ion through sulphur in its thiol form, while the other HL ligand is ligated via the nitrogen atom in the thione form. The dppe ligand chelates Ni(II) via two phosphorus atoms forming a five-membered ring. The complex exhibits strong cytotoxicity against MCF7 (IC50 = 6.76 µg/mL) and A549 (IC50 = 8.07 µg/mL) cell lines. DFT results indicate that the synthesised nickel(II) complex is less thermodynamically stable than the free ligands, with a ΔE value of 3.4349 eV. Hirshfeld surface analysis was conducted to identify intermolecular interactions as the key contributors to crystal packing.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"162-173"},"PeriodicalIF":1.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589296","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":"Examining the chemical reasoning of pre-service science teachers using a multiple-choice test based on the essential questions-perspectives framework.","authors":"Gülen Önal Karakoyun","doi":"10.17344/acsi.2025.9556","DOIUrl":"https://doi.org/10.17344/acsi.2025.9556","url":null,"abstract":"<p><p>The purpose of this study is to examine the chemical reasoning levels of pre-service science teachers. For this purpose, an inventory developed by the researcher in accordance with the Essential Questions-Perspectives Framework (EQ-P) was used as a data collection tool. The inventory consists of thirty-six questions related to three fundamental question types and twelve chemical perspectives. A total of 265 pre-service science teachers from six universities in Turkey participated in the study. A survey model was used in the study. Findings showed that pre-service science teachers performed better on questions related to identification and description. Success was moderate for questions requiring explanation and prediction. Success was lowest for questions requiring transformation and synthesis. When evaluated according to perspectives, high success was observed on questions related to physical properties, structure, composition, and reaction properties. Success was moderate for questions related to particles, interactions, kinetics, and thermodynamics. Success was low for questions related to target molecules, starting materials, addition-removal and process control. The results indicated that the chemical reasoning levels of pre-service science teachers varied significantly depending on the fundamental question types and perspectives. The findings reveal that synthesis and design-oriented thinking should be supported more in chemistry teaching.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"174-182"},"PeriodicalIF":1.3,"publicationDate":"2025-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589238","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}