Acta Chimica Slovenica最新文献_第2页

Synthesis, crystal structures and antimicrobial activity of dioxidomolybdenum(VI) complexes derived from aroylhydrazones. 芳基腙衍生的二氧化钼（VI）配合物的合成、晶体结构和抗菌活性。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-24 DOI: 10.17344/acsi.2026.9928

Zhi-Tong Li, Xiao-Jie Wu, Qiong Wu, Yong-Peng Yu, Zhen Cong, Xin-Yu Min, Xin-Yi Du, Zhong-Lu You, Jian Jiang

{"title":"Synthesis, crystal structures and antimicrobial activity of dioxidomolybdenum(VI) complexes derived from aroylhydrazones.","authors":"Zhi-Tong Li, Xiao-Jie Wu, Qiong Wu, Yong-Peng Yu, Zhen Cong, Xin-Yu Min, Xin-Yi Du, Zhong-Lu You, Jian Jiang","doi":"10.17344/acsi.2026.9928","DOIUrl":"https://doi.org/10.17344/acsi.2026.9928","url":null,"abstract":"Two new aroylhydrazone compounds (E)-N'-(3-ethoxy-2-hydroxybenzylidene)-3-(trifluoromethyl)benzohydrazide (H2La) and (E)-2-bromo-N'-(3,5-dichloro-2-hydroxybenzylidene)benzohydrazide (H2Lb) were prepared and characterized by 1H NMR spectroscopy. Reaction of the aroylhydrazones with MoO2(acac)2 afforded two new dioxidomolybdenum(VI) complexes with general formula [MoO2L(CH3OH)] (L = La for 1, Lb for 2). The complexes were characterized by IR and UV-Vis spectroscopy. Molecular structures of the aroylhydrazones and two dioxidomolybdenum(VI) complexes were further characterized by single crystal X-ray determination. The aroylhydrazone ligands coordinate to Mo through the phenolate oxygen, imine nitrogen, and enolate oxygen atom. The Mo atom displays a distorted octahedral geometry, with the three donors of the aroylhydrazone ligands and one oxo defining the equatorial plane, and one methanol and the other oxo occupying the axial positions. The effective antimicrobial activity of the compounds against the bacteria strains B. subtilis, S. aureus, E. coli, P. fluorescens and on the fungal strains C. albicans and A. niger was observed.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 3","pages":"596-603"},"PeriodicalIF":1.2,"publicationDate":"2026-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102798","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}

引用次数: 0

Two cobalt(II) coordination compounds with 3-hydroxypyridine with thiocyanate or deprotonated bridging ligand, and comparison with isostructural analogs. 两个钴（II）配位化合物与3-羟基吡啶与硫氰酸酯或去质子化桥接配体，并与同结构类似物的比较。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-21 DOI: 10.17344/acsi.2026.9956

Nives Kitanovski

{"title":"Two cobalt(II) coordination compounds with 3-hydroxypyridine with thiocyanate or deprotonated bridging ligand, and comparison with isostructural analogs.","authors":"Nives Kitanovski","doi":"10.17344/acsi.2026.9956","DOIUrl":"https://doi.org/10.17344/acsi.2026.9956","url":null,"abstract":"Two cobalt(II) coordination compounds with 3-hydroxypyridine, [Co(3-pyOH)4(NCS)2] (1) and [Co(3-pyOH)2(μ-3-pyO)2]n (2), were synthesised from aqueous solution and characterised by single-crystal X-ray diffraction, infrared spectroscopy, elemental analysis, and magnetic susceptibility measurements. Compound 1 is a discrete centrosymmetric complex in which the Co(II) ion adopts a slightly distorted octahedral N6 coordination environment formed by four neutral 3-pyOH ligands and two terminal N-bonded thiocyanate ligands. Compound 2 is a two-dimensional coordination polymer containing both neutral 3-pyOH and deprotonated μ-3-pyO- ligands, with the Co(II) ion in a distorted octahedral N2O4 donor environment. The crystal packing of both compounds is supported by hydrogen-bonding interactions and π-π stacking between pyridine rings. Hirshfeld surface analysis was used to evaluate the main close contacts contributing to the crystal packing. Infrared spectroscopy supports the structural assignments, particularly the presence of terminal N-bonded thiocyanate ligands in 1, while magnetic measurements indicate high-spin octahedral Co(II) centres in both compounds. The structures are compared with isostructural Ni(II), Mn(II) and Cd(II) coordination compounds.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 3","pages":"630-638"},"PeriodicalIF":1.2,"publicationDate":"2026-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102735","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}

引用次数: 0

Nanostructured materials for therapeutic applications: Bimetallic doped CuO nanoparticles, synthesis, characterization, and evaluation of biological properties - A sustainable approach. 用于治疗的纳米结构材料：双金属掺杂CuO纳米颗粒，合成，表征和生物特性评估-一种可持续的方法。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-20 DOI: 10.17344/acsi.2025.9588

Aleesha Aleesha, Saqib Khan, Kamran Mehdi, Safdar Ali, Jamshaid Ahmed, Harliansyah Harliansyah, Naseer Ahmed

引用次数: 0

γ-aminobutyric acid type A receptors modulate neurosteroid binding to the voltage-dependent anion channel. γ-氨基丁酸A型受体调节神经类固醇与电压依赖性阴离子通道的结合。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-20 DOI: 10.17344/acsi.2026.9831

Natalia Akentieva

引用次数: 0

Synthesis, cytotoxic evaluation, molecular docking, and DFT analysis of 1,3,4-thiadiazole-2,5-dithiol derivatives. 1,3,4-噻二唑-2,5-二硫醇衍生物的合成、细胞毒性评价、分子对接和DFT分析。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-18 DOI: 10.17344/acsi.2026.9888

Mosa Alsehli

{"title":"Synthesis, cytotoxic evaluation, molecular docking, and DFT analysis of 1,3,4-thiadiazole-2,5-dithiol derivatives.","authors":"Mosa Alsehli","doi":"10.17344/acsi.2026.9888","DOIUrl":"https://doi.org/10.17344/acsi.2026.9888","url":null,"abstract":"A new series of 1,3,4-thiadiazole-2,5-dithiol-based acetohydrazide derivatives 6a-f has been designed and synthesized via a multi-step procedure that includes esterification and condensation reactions. Target compounds 6a-f were synthesized using various substituted aryl aldehydes and hydrazide intermediate 3. FT-IR, 1H NMR and 13C NMR spectroscopy, and elemental analysis were used to characterize the synthesized compounds. The cytotoxic activity of the target compounds 6a-f against Caco-2 colorectal cells was evaluated at different concentrations using the MTT assay. The results showed that derivative 6a, which has a p-NO2 group on the phenyl ring, displayed good activity with an IC50 of 262.5 µg/mL. Molecular docking studies of compound 6a revealed a remarkable binding affinity towards HDAC1 and FGFR, with docking scores of -7.7 and -9.3 kcal/mol, respectively, facilitated by several hydrogen bonds and hydrophobic interactions. The DFT analysis revealed a high energy gap (9.882 eV), indicating good electronic stability, moderate electrophilicity, and significant molecular polarity, suggesting a favorable interaction potential in biological settings. Additionally, the drug-likeness and ADMET properties of the lead compound were predicted to be favorable based on in silico drug-likeness and ADMET evaluations.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 3","pages":"584-595"},"PeriodicalIF":1.2,"publicationDate":"2026-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102772","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}

引用次数: 0

Solvent influenced synthesis, crystal structures and urease inhibition of copper(II) complexes derived from 2-hydroxy-3-methoxybenzaldehyde thiosemicarbazone. 溶剂对2-羟基-3-甲氧基苯甲醛硫代氨基脲铜配合物的合成、晶体结构和脲酶抑制作用的影响。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-17 DOI: 10.17344/acsi.2026.9881

Yang-Lei Li, En-Jun Zhang, Can Luo, Hui-Lin Zhou, Yao-Yao Cao, Da-Hua Shi, Zhong-Lu You

引用次数: 0

Screening of deprotection conditions of TBDMS protecting group on β-lactams. TBDMS保护基团对β-内酰胺脱保护条件的筛选。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-17 DOI: 10.17344/acsi.2026.9857

David Lukić, Vid Kavaš, Martina Hrast Rambaher, Stanislav Gobec

{"title":"Screening of deprotection conditions of TBDMS protecting group on β-lactams.","authors":"David Lukić, Vid Kavaš, Martina Hrast Rambaher, Stanislav Gobec","doi":"10.17344/acsi.2026.9857","DOIUrl":"https://doi.org/10.17344/acsi.2026.9857","url":null,"abstract":"Monocyclic β-lactams are valuable scaffolds for the development of novel antibacterial agents, and synthetic flexibility at the C3 position of the β-lactam ring is of particular interest. In this study, we evaluated multiple procedures for the deprotection of the tert‑butyldimethylsilyl (TBDMS) group in model azetidinone derivatives to enable early-stage functionalization of the C3 hydroxyl group. Given the sensitivity of the strained β-lactam ring and the presence of additional labile functionalities, careful selection of reaction conditions was required. Two optimized deprotection protocols were identified that successfully afforded the corresponding free alcohols, even in the presence of an acid- and base-sensitive dithiocarbamate moiety. In contrast, several literature-reported procedures proved ineffective under the tested conditions. Although the isolated yields were modest, the results demonstrate the feasibility of selective TBDMS removal in structurally complex monocyclic β-lactam systems. These findings establish a foundation for further optimization and provide a basis for expanding C3 functionalization strategies in the synthesis of novel β-lactam derivatives.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 3","pages":"554-559"},"PeriodicalIF":1.2,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102626","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}

引用次数: 0

Mechanistic explanations in teacher education: Characterization of science teacher candidates' levels of mechanistic reasoning regarding fundamental chemistry concepts. 教师教育中的机械解释：科学教师候选人关于基本化学概念的机械推理水平的表征。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-17 DOI: 10.17344/acsi.2026.9860

Mehmet Polat

引用次数: 0

Electrochemical quantification of thymol in Thymus vulgaris essential oil with a 3D-printed electrode. 用3d打印电极电化学定量测定寻常胸腺精油中百里酚。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-17 DOI: 10.17344/acsi.2026.9769

Leticia Siqueira Da Silva, Jéssica Nívea Magalhães Rodrigues, Mariana Mariana Fernanda Silva De Oliveira, Pablo Henrique Silva Martins, Hugo Leonardo Souza Lara Leão, Polyana Fernandes Pereira

{"title":"Electrochemical quantification of thymol in Thymus vulgaris essential oil with a 3D-printed electrode.","authors":"Leticia Siqueira Da Silva, Jéssica Nívea Magalhães Rodrigues, Mariana Mariana Fernanda Silva De Oliveira, Pablo Henrique Silva Martins, Hugo Leonardo Souza Lara Leão, Polyana Fernandes Pereira","doi":"10.17344/acsi.2026.9769","DOIUrl":"https://doi.org/10.17344/acsi.2026.9769","url":null,"abstract":"Thymol (TM), a monoterpenoid phenol with diverse antioxidant and antimicrobial properties, is of significant interest to the pharmaceutical, food, and agricultural sectors. Due to its importance, this study developed an electrochemical method for its quantification using a 3D-printed electrode made from a conductive carbon black/PLA filament (CB/PLA electrode). Electrochemical measurements were performed using square-wave voltammetry (SWV) in 0.1 mol L⁻1 Na2SO4 (pH 13). The potential was scanned from 0 to +0.80 V, exploiting the oxidation process of TM at approximately +0.30 V (vs. Ag|AgCl|KCl(sat.)). Under the optimized SWV conditions, a linear response was obtained in the concentration range of 75.00 to 337.50 µg/mL (r = 0.99). The proposed method demonstrated excellent analytical characteristics, including high stability (RSD < 9%; n = 6) and a satisfactory recovery value (89%). These results suggest minimal matrix interference, confirming the method's accuracy for analyzing real samples. This work highlights that the combination of 3D-printed electrodes and the SWV technique offers a selective approach for TM analysis. The reliability of the proposed method for quality control in thyme essential oil is confirmed, presenting a promising strategy for monitoring other bioactive compounds with a rapidly manufactured, reproducible, and low-cost electrode.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 3","pages":"538-545"},"PeriodicalIF":1.2,"publicationDate":"2026-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102711","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}

引用次数: 0

Synthesis, characterization, antibacterial and antifungal activities, and molecular docking studies of two new Schiff bases derived from 2,4-diaminotoluene. 2,4-二氨基甲苯衍生的两种新型希夫碱的合成、表征、抑菌活性及分子对接研究。

IF 1.2 4区化学

Acta Chimica Slovenica Pub Date : 2026-07-16 DOI: 10.17344/acsi.2025.9672

Khadidja Boukerche, Djahida Haffar, Karima Saffidine, Djalila Boudemagh

{"title":"Synthesis, characterization, antibacterial and antifungal activities, and molecular docking studies of two new Schiff bases derived from 2,4-diaminotoluene.","authors":"Khadidja Boukerche, Djahida Haffar, Karima Saffidine, Djalila Boudemagh","doi":"10.17344/acsi.2025.9672","DOIUrl":"https://doi.org/10.17344/acsi.2025.9672","url":null,"abstract":"The two symmetric Schiff bases, 3,3'-((1E,1'E)-((4-methyl-1,3-phenylene)bis(azanylylidene)) bis(ethan-1-ylidene))bis(2-hydroxy-6-methyl-4H-pyran-4-one) (DL) and (N1E,N3E)-4-methyl-N1,N3-bis(pyridin-3-ylmethylene)benzene-1,3-diamine (PL), were synthesized and characterized using UV-Vis, FT-IR, 1H NMR, 13C NMR and LC-MS techniques. The infrared and UV-Vis spectral modelling using DFT for DL and PL showed good agreement between theory and experiment. The results of the antibacterial activity tests indicate that PL was more active against all bacterial strains than DL, which exhibited moderate antibacterial activity. Moreover, both compounds DL and PL exhibited significant antifungal potency against Botrytis species. Additionally, in silico ADME-T studies suggest that these compounds may have favourable oral bioavailability and pharmacokinetic properties. In addition, molecular docking studies were conducted to evaluate how these compounds interact with the active-site residues of TEM-1 β-lactamase, an enzyme responsible for the hydrolysis of β-lactam antibiotics. The docking results suggest that the synthesized DL and PL Schiff bases may serve as preliminary scaffolds for the development of new antimicrobial agents.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"73 3","pages":"527-537"},"PeriodicalIF":1.2,"publicationDate":"2026-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149102746","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}

引用次数: 0