Acta Chimica Slovenica最新文献_第2页

Preparation and Characterization of Ionic Liquid Supported on Fe3O4-Lignin and Investigation of Its Catalytic Activity in the Synthesis of Dihydropyrano[3,2-c]chromene Derivatives. fe3o4 -木质素负载离子液体的制备、表征及其对二氢吡喃[3,2-c]铬衍生物的催化活性研究。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-08-26 DOI: 10.17344/acsi.2025.9250

Majidreza Gerami, Mahnaz Farahi

引用次数: 0

Synthesis and Antimicrobial Efficacy of Novel 1,3,4-Thiadiazole Derivatives Against Key Bacterial and Fungal Strains. 新型1,3,4-噻二唑衍生物的合成及其对关键细菌和真菌的抑菌效果

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-28 DOI: 10.17344/acsi.2025.9327

Mohamed Eleribi, Fakhri Elabbar, Basma Baaiu

引用次数: 0

Synthesis, Characterization and Biological Evaluation of Substituted Pyridine Based Benzo-thiazol Derivatives: In Silico Calculations and ADME Prediction. 取代吡啶基苯并噻唑衍生物的合成、表征和生物学评价：硅计算和ADME预测。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-24 DOI: 10.17344/acsi.2025.9213

Iram Akbar, Amir Karim, Muhammad Iqbal, Rahime Eshaghi Malekshah, Najeeb Ullah, Yu-Ting Chu, Saqib Ali, Sodio C N Hsu, Muhammad Nawaz Tahir

引用次数: 0

Modelling and Prediction of Permeate Flux in the Ultrafiltration Recovery of Sodium Lignosulfonate from Aqueous Solution. 超滤回收水溶液中木质素磺酸钠渗透通量的建模与预测。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-23 DOI: 10.17344/acsi.2025.9163

Vinay B Patel, Haresh K Dave, Tejal M Patel, Kaushik Nath

引用次数: 0

Identification of novel HPPD/PPO dual-target inhibitors through virtual screening of multiple pharmacophore models. 通过多种药效团模型的虚拟筛选鉴定新型HPPD/PPO双靶点抑制剂。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-23 DOI: 10.17344/acsi.2025.9188

Pan-Xiu Zhang, Juan Shi, Ying Fu

引用次数: 0

Copper(I/II) and Palladium(II) Complexes Containing Carbothioamide and Triphenylphosphine Ligands: Synthesis, Characterization, and Theoretical Studies. 含碳硫酰胺和三苯基膦配体的铜（I/II）和钯（II）配合物：合成、表征和理论研究。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-23 DOI: 10.17344/acsi.2025.9352

Karwan Omer Ali, Nabil Adil Fakhre, Salim Najm Aldain Saber

{"title":"Copper(I/II) and Palladium(II) Complexes Containing Carbothioamide and Triphenylphosphine Ligands: Synthesis, Characterization, and Theoretical Studies.","authors":"Karwan Omer Ali, Nabil Adil Fakhre, Salim Najm Aldain Saber","doi":"10.17344/acsi.2025.9352","DOIUrl":"https://doi.org/10.17344/acsi.2025.9352","url":null,"abstract":"A carbothioamide ligand, 4,5-dihydro-5-(4-methoxyphenyl)-3-phenylpyrazole-1-carbothioamide, [C17H17N3OS], has been synthesized from the condensation of 4-methoxychalcone with thiosemicarbazide. The carbothioamide (L) ligand and triphenylphosphine (Ph3P) as co-ligand, was coordinated with Cu(I), Cu(II), and Pd(II) metal ions to synthesis the corresponding complexes: [CuCl2(L)] 1, [CuCl(L)(Ph3P)] 2, [PdCl2(L)] 3, and [PdCl(L)(Ph3P)]Cl 4. The ligand and all complexes were collected in solid form after the reactions and characterized by magnetic susceptibility, elemental analysis, molar conductivity, FT-IR, UV-Vis, and 1H, 13C, 31P-NMR techniques. The molar conductance values in DMSO (5.8-16.3 Ω-1 cm2 mol-1) confirmed all the complexes to be non-electrolytic except for the Pd(II) complex 4 (32.6 Ω-1cm2 mol-1) that behaves as a 1:1 electrolyte. According to spectroscopic evidence, the carbothioamide ligand behaves as an N, S donor and chelating agent. Magnetic susceptibility measurements combined with electronic spectral data suggest that the Cu(II) and Pd(II) complexes have square planar geometry, whereas the Cu(I) complex 2 has a tetrahedral geometry. Elemental analysis and 1H-NMR spectroscopy confirmed the mononuclear structure of all complexes. DFT calculations showed that the synthesized complexes 1, 3, and 4 exhibit higher thermodynamic stability than the free ligand (L), with ΔE values of 1.4695, 2.1116 eV, 1.9076 eV, and 1.2980 eV, respectively. In contrast, complex 2 has ΔE = 0.5385 eV, indicating lower thermodynamic stability. Among the complexes, complex 2 (S = 3.7140 eV) exhibited the highest softness, and all complexes were observed to be softer than the triphenylphosphine ligand. According to the results, electron transitions are easier in certain complexes than in their ligands, which suggests that the prepared complexes could be used in the photocell in future studies.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 3","pages":"491-502"},"PeriodicalIF":1.3,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145231272","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

Development of Novel Analgesics Related to TRPV1 Antagonism - In Silico Approach. 与TRPV1拮抗剂相关的新型镇痛药的开发-计算机方法。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-23 DOI: 10.17344/acsi.2025.9199

Mladjan Golubovic, Velimir Peric, Marija Stosic, Vladimir Stojiljkovic, Tomislav Kostic, Aleksandar Kamenov, Milan Lazarevic, Dalibor Stojanović, Aleksandar Veselinovic

{"title":"Development of Novel Analgesics Related to TRPV1 Antagonism - In Silico Approach.","authors":"Mladjan Golubovic, Velimir Peric, Marija Stosic, Vladimir Stojiljkovic, Tomislav Kostic, Aleksandar Kamenov, Milan Lazarevic, Dalibor Stojanović, Aleksandar Veselinovic","doi":"10.17344/acsi.2025.9199","DOIUrl":"https://doi.org/10.17344/acsi.2025.9199","url":null,"abstract":"In the context of pharmacological intervention for pain, Transient Receptor Potential Vanilloid, member 1 (TRPV1), as a non-selective cation channel belonging to the transient receptor potential (TRP) family of ion channels, has emerged as a promising target. However, the availability of selective TRPV1 antagonists and their associated pharmacological properties remains limited. This research paper explores various QSAR modeling techniques applied to a range of piperazinyl-aryl compounds acting as TRPV1 antagonists. The descriptors utilized in the creation of conformation-independent QSAR models included local molecular graph invariants and the SMILES notation, along with the incorporation of the Monte Carlo optimization method as a model development technique. Several statistical methods were employed to evaluate the quality, robustness, and predictive capacity of the developed models, yielding positive results. For the best developed QSAR model following statistical parameters were obtained for training set R2 = 0.7155, CCC = 0.8134, IIC = 0.7430, Q2 = 0.6970, RMSE = 0.645, MAE = 0.489 and F = 157; and for test set R2 = 0.9271, CCC = 0.9469, IIC = 0.9635, Q2 = 0.9241, RMSE = 0.367, MAE = 0.329 and F = 328. Additionally, molecular fragments derived from SMILES notation descriptors, which explain observed changes in the evaluated activity, were identified, leading to the design of four new antagonists. The final validation of the QSAR model and the designed antagonists was conducted through molecular docking, which demonstrated strong correlation with the QSAR modeling results.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 3","pages":"450-462"},"PeriodicalIF":1.3,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145231304","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

Optimization of The Bleaching Process of Sunflower Oil. 葵花籽油漂白工艺的优化。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-23 DOI: 10.17344/acsi.2024.8816

Nebojša Vasiljević, Suzana Yusup, Vladan Mićić, Goran Tadić, Dragica Lazić, Duško Kostić

引用次数: 0

Synthesis, Characterization and Catalytic Properties of L-Cysteine-Mediated Self-Assembled Au-Ag/AgCl Nanoparticles. l -半胱氨酸介导的自组装Au-Ag/AgCl纳米粒子的合成、表征和催化性能

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-19 DOI: 10.17344/acsi.2025.9185

Moein Rezazadeh, Zeinab Moradi Shoeili

{"title":"Synthesis, Characterization and Catalytic Properties of L-Cysteine-Mediated Self-Assembled Au-Ag/AgCl Nanoparticles.","authors":"Moein Rezazadeh, Zeinab Moradi Shoeili","doi":"10.17344/acsi.2025.9185","DOIUrl":"https://doi.org/10.17344/acsi.2025.9185","url":null,"abstract":"In this study, the self-assembly of gold and silver-based nanoclusters modified by L-cysteine (Cys@Au-Ag/AgCl) was prepared using a simple and straightforward hydrothermal method. Cys@Au-Ag/AgCl exhibited efficient catalytic activity for the rapid reduction of 4-nitrophenol (4-NP) to the less toxic 4-aminophenol (4-AP) in the presence of NaBH4 as a reducing agent, completing the reaction within a few minutes with a rate constant of 6.1 × 10-3 s-1. The catalytic performance of Cys@Au-Ag/AgCl was optimized by studying the effect of various parameters on the catalytic reduction. In addition, Cys@Au-Ag/AgCl nanocomposite was used for catalytic reduction of K3[Fe(CN)6] in the presence of NaBH4, and the reaction rate constant was found to be 1.73 × 10-2 s-1. The antibacterial activity of Cys@Au-Ag/AgCl nanocomposite was also evaluated against common drug-resistant Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus) and Gram-negative bacteria (Pseudomonas aeruginosa and Escherichia coli). The results demonstrated that the multifunctional Cys@Au-Ag/AgCl nanocomposite exhibited good antibacterial activity against these clinical drug-resistant bacteria.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 3","pages":"430-440"},"PeriodicalIF":1.3,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145231376","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 and Crystal Structures of Nitrate and Tetrachloridocobalt(II) Salts of Cobalt(III) Complexes with Catalytic Epoxidation of Cyclooctene. 环烯催化环氧化钴配合物的硝酸盐和四氯钴（II）盐的合成、表征和晶体结构

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-07-15 DOI: 10.17344/acsi.2025.9313

Li-Fei Zou, Ya-Li Sang, Su-Wen Liu, Kai Wang, Li-Min Wang

引用次数: 0