{"title":"Design, synthesis, and biological evaluation of N-propionylcysteamine-functionalized calix[n]arenes: antioxidant and enzyme inhibitory activities.","authors":"Mürüvvet Kurt, Murat Özer, Gülderen Uysal Akkuş","doi":"10.17344/acsi.2025.9464","DOIUrl":"10.17344/acsi.2025.9464","url":null,"abstract":"<p><p>In this study, calix[n]arenes were functionalized with N-propionylcysteamine via phenolic moieties, followed by ipso-sulfonation to improve water solubility. Sulfonated derivatives calix[4]arene (C4-4) and calix[8]arene (C8-4) were characterized by FT-IR, 1H NMR, and 13C NMR. Antioxidant activities were determined using DPPH, ABTS• radical scavenging, and Fe(II) chelation assays. At a concentration of 1 mM, DPPH scavenging was 36.45% (C4-4) and, 36.02% (C8-4); Fe(II) chelation 33.33% and, 32.65%; ABTS• scavenging 33.41% and, 39.54%. Both compounds moderately inhibited acetylcholinesterase and α-glucosidase. These results indicate that sulfonated cysteamine-calixarenes possess notable antioxidant potential and moderate enzyme inhibition, making them promising scaffolds for multifunctional bioactive molecule development.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"89-97"},"PeriodicalIF":1.2,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589252","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, structure and photophysical properties of novel thiazolo[2,3-b]pteridines.","authors":"Daryna Kyrylova, Oleksii Voskoboinik, Anatolii Tatarets, Liubomyr Havryshchuk, Svitlana Shishkina, Sergiy Okovytyy, Serhii Kovalenko","doi":"10.17344/acsi.2025.9557","DOIUrl":"https://doi.org/10.17344/acsi.2025.9557","url":null,"abstract":"<p><p>A one-pot synthesis of a series of thiazolo[2,3-b]pteridines, along with an alternative step-by-step procedure, has been developed. The regioselectivity of the heterocyclization was determined using a combination of physicochemical methods, including X-ray crystallography. The photophysical properties of the synthesized compounds, such as their absorption and emission spectra, were systematically investigated. The absorption spectra were found to depend on the electronic effects of the substituents and the length of the conjugated system. In acetonitrile solutions, the compounds exhibited luminescence with emission maxima in the range of 452-570 nm, quantum yields of up to 6.8%, and negligible Stokes shifts. These results were further supported by DFT calculations, which showed good agreement with the experimental data. Overall, the findings highlight the potential of thiazolo[2,3-b]pteridines as promising candidates for the development of efficient luminescent materials.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"125-132"},"PeriodicalIF":1.3,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589234","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}
Ecem Gökoğlan, Çiğdem Çakıcı, Ömer Erdoğan, Özgür Yılmaz, Özge Çevik, Ş Güniz Küçükgüzel
{"title":"Novel hydrazide-hydrazone derivatives containing flurbiprofen 1,2,4-triazole as anticancer agents: design, synthesis and biological evaluation.","authors":"Ecem Gökoğlan, Çiğdem Çakıcı, Ömer Erdoğan, Özgür Yılmaz, Özge Çevik, Ş Güniz Küçükgüzel","doi":"10.17344/acsi.2025.9452","DOIUrl":"10.17344/acsi.2025.9452","url":null,"abstract":"<p><p>Hydrazone derivatives are one of the scaffolds frequently used in new drug development studies. Due to the promising pharmacological effects of the hydrazone structure, fifteen new hydrazide-hydrazone compounds containing flurbiprofen 1,2,4-triazole were synthesized in this study and their in vitro anticancer effects were tested. All compounds were tested for cytotoxic effects against breast cancer cell lines (MCF-7 and MDA-MB231), and glioblastoma cell line (U87) by using MTT assay. Among the synthesized compounds, compounds 7a and 7c exhibited the most potent cytotoxic activity with IC50 values of 7.80 ± 1.20 µM and 2.40 ± 0.93 µM against MCF-7 cell line, while compound 7a showed the highest activity with IC50 value of 7.63 ± 1.05 µM against MDA-MB231 cell line. In addition, compounds 7c and 7n presented cytotoxic activity with IC50 values of 10.31 ± 4.63 µM and 10.81 ± 6.11 µM against U87 cell line. The possible cytotoxic effects of compounds on mouse fibroblast cell line (L929) were assessed for their safety and compounds 7a, 7c, and 7n were found less toxic than 5-fluorourasil. Additionally, compound 7c was further studied to investigate its effects on apoptosis and PI3K activity, which play a role in cancer development. The results showed that compound 7c increased apoptosis in MCF-7 cells and it displayed PI3K enzyme inhibitory activity. Our study revealed that the synthesized hydrazone compounds have the potential to be lead compounds for further studies on cancer.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"70-88"},"PeriodicalIF":1.2,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589290","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":"Biological, electrochemical, molecular docking and DFT studies of the asymmetric Schiff base: synthesis of 2-hydroxy-6-methyl-3-((E)-1-((4-methyl-3-((E)-(pyridin-3-ylmethylene)amino)phenyl)imino)ethyl)-4H-pyran-4-one.","authors":"Khadidja Boukerche, Djahida Haffar, Chawki Bensouici, Amina Belounis","doi":"10.17344/acsi.2025.9482","DOIUrl":"https://doi.org/10.17344/acsi.2025.9482","url":null,"abstract":"<p><p>The asymmetric Schiff base 2-hydroxy-6-methyl-3-((E)-1-((4-methyl-3-((E)-(pyridin-3-ylmethylene)amino)phenyl)imino)ethyl)-4H-pyran-4-one (AL) was synthesized, and characterized by LC-MS, FT-IR, UV-Vis, 1H and 13C NMR techniques as well as cyclic voltammetry. The optimized molecular structures, IR and UV-Vis spectral modeling, stability, reactivity, and specific quantum chemical properties of the synthesized AL were examined using Density Functional Theory (DFT). The theoretical findings were consistent with the experimental results. The results show that compound AL has good antioxidant and anti-inflammatory activity. The electrochemical behavior of AL and BHT in the presence of superoxide radicals shows that the radical reaction is spontaneous. Apro-AL calculations indicated the ability of the AL compound to inhibit the primary protease (4GCA). Finally, the docking studies and ADME-T results showed that the AL compound under investigation could be developed as a therapeutic agent.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"98-117"},"PeriodicalIF":1.3,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589197","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}
Murat Özer, Fatma Demir, Safiye Elif Korcan, Gülderen Uysal Akkuş
{"title":"Rapid synthesis and antimicrobial evaluation of triazole-modified calix[4]arenes via click chemistry.","authors":"Murat Özer, Fatma Demir, Safiye Elif Korcan, Gülderen Uysal Akkuş","doi":"10.17344/acsi.2025.9503","DOIUrl":"10.17344/acsi.2025.9503","url":null,"abstract":"<p><p>The current study comprises the synthesis of para-tert-butylcalix[4]arene 2 bearing a terminal alkyne group via alkylation of para-tert-butylcalix[4]arene (1) with 4-bromo-1-butyne in the presence of K2CO3. A series of aryl azides, namely benzyl azide (3a), pentafluorobenzyl azide (3b), 4-nitrobenzyl azide (3c), and 2-(azidomethyl)naphthalene (3d), were prepared through the reaction of the corresponding aryl halides with NaN3. Compound 2 was then subjected to a Cu(I)-catalyzed click reaction with these azides to afford novel triazole derivatives 4a-d. The antimicrobial activities of compounds 4a-d were evaluated against Pseudomonas aeruginosa ATCC 11778, Escherichia coli ATCC 35213, Staphylococcus aureus ATCC 12600, and Streptococcus mutans ATCC 10449. Experimental results demonstrated that compounds 4a, 4c, and 4d exhibited strong activity comparable to ofloxacin, highlighting their potential as candidate molecules for antibiotic development.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 1","pages":"118-124"},"PeriodicalIF":1.2,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589212","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":"DRUŠTVENE VESTI IN DRUGE AKTIVNOSTI SOCIETY NEWS, ANNOUNCEMENTS, ACTIVITIES.","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"S81-S96"},"PeriodicalIF":1.3,"publicationDate":"2025-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773261","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}
Wen-Bo Yan, Bo Qiu, Jie Ren, Yi-Xin Chen, Ya-Jia Xu, Shu-Juan Liu, Xiao-Yang Qiu
{"title":"Synthesis, Crystal Structures and Urease Inhibition of Three Copper(I) Complexes Derived from 2-(2,4-Dichlorobenzydene)hydrazine-1-carbothioamide.","authors":"Wen-Bo Yan, Bo Qiu, Jie Ren, Yi-Xin Chen, Ya-Jia Xu, Shu-Juan Liu, Xiao-Yang Qiu","doi":"10.17344/acsi.2025.9530","DOIUrl":"https://doi.org/10.17344/acsi.2025.9530","url":null,"abstract":"<p><p>Reaction of 2-(2,4-dichlorobenzydene)hydrazine-1-carbothioamide (L), triphenylphosphine with cuprous chloride, cuprous bromide and cuprous iodide, respectively, under the nitrogen atmosphere, afforded three new copper(I) complexes [CuClL(Ph3P)2]∙MeCN (1), [CuBrL(Ph3P)2]∙0.5EtOEt (2) and [CuIL(Ph3P)2] (3). The complexes have been characterized by means of single crystal X-ray crystallography and XPS. The ligand L in its neutral form coordinates to the Cu ion via S atom. The Cu atom in each complex is coordinated by one L, two PPh3 and one halide ligands, to form tetrahedral coordination. The XPS results are shown that the chemical valence state of copper in the product is +1. The complexes were evaluated for their urease inhibitory activity, and gave satisfactory results (IC50 = 13-19 μmol L-1).</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"877-883"},"PeriodicalIF":1.3,"publicationDate":"2025-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773223","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}
Aybeniz Kashkay, Hadiya Khalilova, Nahida Musayeva, Muhammad Alizada
{"title":"Combined Effect of Sodium Dodecyl Sulfate with Cobalt Acetylacetonate on the Oxidation of Ethylbenzene and the Decomposition of α-Phenylethyl Hydroperoxide.","authors":"Aybeniz Kashkay, Hadiya Khalilova, Nahida Musayeva, Muhammad Alizada","doi":"10.17344/acsi.2025.9306","DOIUrl":"https://doi.org/10.17344/acsi.2025.9306","url":null,"abstract":"<p><p>The presented work deals with the combined effect of cobalt(II) acetylacetonate Co(acac)2 and the anionic surfactant sodium dodecyl sulfate (SDS) on the oxidation of ethylbenzene. This combination forms a new catalytic system for the decomposition of hydroperoxide ROOH operating in the absence of oxygen. SDS taken alone promotes the decomposition of ROOH into phenol and acetaldehyde, and Co(acac)2 into methylphenylcarbinol and acetophenonone. The nature and scale of the influence of microheterogeneity and kinetic heterogeneity of the medium on the kinetics and mechanism of ethylbenzene oxidation and the decomposition of ethylbenzenehydro-peroxide in the presence of the above combinations was studied. Using this example, it has been established that the catalysis of the decomposition of hydroperoxide in the presence of combinations of sodium dodecyl sulfate with acetylacetonate cobalt is associated with their colloidal feature leading to the formation of aggregates of the surface active substance and hydroperoxide, such as reverse micelles, which facilitate the cleavage of the peroxide bond.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"761-764"},"PeriodicalIF":1.3,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773258","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 Calculations, Docking, and Experimental Evaluation of Nanotube Surface Antimicrobial Activity.","authors":"Vahdettin Aslan, Yasemin Keşkek Karabulut, Aybek Yiğit, Zeynep Şilan Turhan","doi":"10.17344/acsi.2025.9461","DOIUrl":"https://doi.org/10.17344/acsi.2025.9461","url":null,"abstract":"<p><p>In this study, quantum chemistry computational methods were used to theoretically determine and experimentally verify the antibacterial activity of functionalized carbon nanotube (CNT) surfaces. CNTs with 2-2.5% -COOH ends were chemically treated via amidation, acylation, and esterification. TEM, FESEM-EDX, XRD, and FT-IR analyses were performed. Antibacterial activity was evaluated using MIC and disk diffusion methods. Density functional theory (B3LYP/6-31+G(d,p)) optimized the structures, and HOMO-LUMO energies, chemical parameters, and molecular volumes were calculated to predict antibacterial properties. Finally, docking studies assessed VA1, VA2, and VA3 as antibacterial agents. Results showed that CNT-CO-NH-C6H6 (VA2) exhibited antibacterial activity. (I: ionization potential, A: electron affinity, ΔE: energy gap, χ: electronegativity, σ: molecular softness, η: hardness, ω: electrophilic index, ε: nucleophilic index, μ: chemical potential).</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"853-865"},"PeriodicalIF":1.3,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145772880","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}
Afaq A Turki, Heba H Sabah, Meaad A Fadhil, Abbas F Abbas, Hadi Salman Al-Lami
{"title":"Fluorescence and UV-Visible Analysis of some Synthesized Imine Compounds Derived from 4,4'-Sulfonyldianiline.","authors":"Afaq A Turki, Heba H Sabah, Meaad A Fadhil, Abbas F Abbas, Hadi Salman Al-Lami","doi":"10.17344/acsi.2025.9458","DOIUrl":"https://doi.org/10.17344/acsi.2025.9458","url":null,"abstract":"<p><p>Five imine derivatives were subsequently synthesized by condensation of 4,4'-sulfonyldianiline with substituted aromatic aldehyde or ketone in the presence of p-TsOH/EtOH. They are namely 4,4'-sulfonylbis(N-(2,4-dinitrobenzylidene)aniline) (C1), 4,4'-(4,4'-sulfonylbis(4,1-phenylene)bis(azan-1-yl-1-ylidene)bis(methan-1-yl-1-ylidene)dibenzaldehyde (C2), 4,4'-sulfonylbis(N-(1-(pyridin-2-yl)ethylidene)aniline) (C3), 4,4'-sulfonylbis(N-(1-(thiophen-2-yl)ethylidene)aniline) (C4), and 4,4'-sulfonylbis(N-(1-(furan-2-yl)ethylidene)aniline) (C5), with very good yields. The structure of the synthesized imine derivatives C1-C5 was investigated by various spectroscopic techniques (FTIR, 1H NMR, and mass spectroscopy). The photophysical properties of the synthesized derivatives C1-C5 were examined using fluorescence and UV-Vis spectroscopy. These compounds exhibit distinct emission and absorption profiles governed by their electronic structures, conjugation, and molecular reorganization.</p>","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"846-852"},"PeriodicalIF":1.3,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773198","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}