Acta Chimica Slovenica最新文献_第4页

Synthesis, Crystal Structures and Urease Inhibition of Three Copper(I) Complexes Derived from 2-(2,4-Dichlorobenzydene)hydrazine-1-carbothioamide. 2-（2,4-二氯苯）肼-1-碳硫酰胺三种铜配合物的合成、晶体结构及脲酶抑制作用

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-29 DOI: 10.17344/acsi.2025.9530

Wen-Bo Yan, Bo Qiu, Jie Ren, Yi-Xin Chen, Ya-Jia Xu, Shu-Juan Liu, Xiao-Yang Qiu

引用次数: 0

Combined Effect of Sodium Dodecyl Sulfate with Cobalt Acetylacetonate on the Oxidation of Ethylbenzene and the Decomposition of α-Phenylethyl Hydroperoxide. 十二烷基硫酸钠与乙酰丙酮钴对乙苯氧化和α-苯乙基过氧化氢分解的联合作用。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-26 DOI: 10.17344/acsi.2025.9306

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":"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.","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}

引用次数: 0

Theoretical Calculations, Docking, and Experimental Evaluation of Nanotube Surface Antimicrobial Activity. 纳米管表面抗菌活性的理论计算、对接和实验评估。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-26 DOI: 10.17344/acsi.2025.9461

Vahdettin Aslan, Yasemin Keşkek Karabulut, Aybek Yiğit, Zeynep Şilan Turhan

引用次数: 0

Fluorescence and UV-Visible Analysis of some Synthesized Imine Compounds Derived from 4,4'-Sulfonyldianiline. 由4,4′-磺酰基二苯胺合成的亚胺类化合物的荧光和紫外可见分析。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-26 DOI: 10.17344/acsi.2025.9458

Afaq A Turki, Heba H Sabah, Meaad A Fadhil, Abbas F Abbas, Hadi Salman Al-Lami

引用次数: 0

Interpreting the Conformational Dynamics Over Interaction of FAM222A Protein with Amyloid-Beta Peptides. 解释FAM222A蛋白与淀粉样肽相互作用的构象动力学。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-25 DOI: 10.17344/acsi.2025.9340

Nail Besli, Nilufer Ercin, Miguel Carmena-Bargueño, Horacio Pérez-Sánchez, Ulkan Celik

{"title":"Interpreting the Conformational Dynamics Over Interaction of FAM222A Protein with Amyloid-Beta Peptides.","authors":"Nail Besli, Nilufer Ercin, Miguel Carmena-Bargueño, Horacio Pérez-Sánchez, Ulkan Celik","doi":"10.17344/acsi.2025.9340","DOIUrl":"https://doi.org/10.17344/acsi.2025.9340","url":null,"abstract":"Alzheimer's disease (AD), a neurological disorder with increasing prevalence worldwide, presents a significant challenge to the medical community. The molecular mechanism underpinning its neuropathology is still wholly unexplained. Recent investigations have focused on the role of the protein aggregatin (AP), encoded by FAM222A, in amyloid-beta (Aβ) aggregation via its N-terminal Aβ binding domain. The current study aims to characterize the interaction mechanisms between the AP and Aβ (1-42 and 1-28) peptides using all-atom molecular dynamics (MD) simulations. The objective is to assess whether AP is a stabilizing scaffold in Aβ peptide aggregation, validate docking outcomes from previous studies, and compare the stability and interaction profiles of different Aβ isoforms. Aβ (1-42, 1-28) peptides were converted from the α-helix to the β-sheet form to inquire better-docked formation with the AP. The selected docking poses from our previous study and the four top scoring from HADDOCK were implemented in MD simulations, resulting in relatively stable complexes as indicated by consistent RMSD/RMSF trends without major structural disruptions. However, no binding free energy or interaction network analysis was conducted, and the conclusions are thus limited to structural stability observations. Our calculations hold accurate points for further experimental AD research on designing and developing the relevant protein-peptide interactions.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"831-845"},"PeriodicalIF":1.3,"publicationDate":"2025-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773256","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

New Insights into CAZ-AVI's Pharmacological Mechanisms: Network Pharmacology and Molecular Docking Reveal Molecular Targets in Pneumonia Treatment. CAZ-AVI药理机制新发现：网络药理学与分子对接揭示肺炎治疗的分子靶点

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-25 DOI: 10.17344/acsi.2025.9492

Kun Zhang, Yu-Qian Cheng, Cun-Jin Wu

{"title":"New Insights into CAZ-AVI's Pharmacological Mechanisms: Network Pharmacology and Molecular Docking Reveal Molecular Targets in Pneumonia Treatment.","authors":"Kun Zhang, Yu-Qian Cheng, Cun-Jin Wu","doi":"10.17344/acsi.2025.9492","DOIUrl":"https://doi.org/10.17344/acsi.2025.9492","url":null,"abstract":"Ceftazidime-Avibactam (CAZ-AVI) has demonstrated good efficacy in treating pneumonia. Currently, research on CAZ-AVI is primarily focused on its direct antibacterial effects, while exploration of its potential host targets remains relatively limited. In light of this, our study innovatively employs a research strategy that integrates network pharmacology and computer-aided drug design to systematically explore the potential host targets of CAZ-AVI. We identified 141 intersecting targets in CAZ-AVI-treated pneumonia, with key targets including Epidermal Growth Factor Receptor (EGFR), Src Proto-Oncogene (SRC), Signal Transducer and Activator of Transcription 3 (STAT3), Heat Shock Protein 90 Alpha Family Class A Member 1 (HSP90AA1), Caspase 3 (CASP3) and Nuclear Factor Kappa B Subunit 1 (NFKB1). By inhibiting or activating these target proteins, CAZ-AVI plays a significant regulatory role in cell proliferation, apoptosis, signal transduction, and immune responses. Our experimental results further confirmed that the compound possesses activities in inhibiting cell proliferation and promoting apoptosis. CAZ-AVI can correct cellular dysfunction and optimize immune responses, thereby providing new strategies and insights for the treatment of pneumonia.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"866-876"},"PeriodicalIF":1.3,"publicationDate":"2025-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773251","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

Cyclopentyl-linked N-Acylthioureas as Promising Urease Inhibitors: Insights from in vitro Bioassay, Structure-activity Relationships and Computational Analysis. 环戊基连接n -酰基硫脲作为有前途的脲酶抑制剂：来自体外生物测定、构效关系和计算分析的见解。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-23 DOI: 10.17344/acsi.2025.9469

Khansa Mumtaz, Sumera Zaib, Aamer Saeed, Atteeque Ahmed, Afifa Tur Rehman, Aneeza Asghar, Imtiaz Khan

{"title":"Cyclopentyl-linked N-Acylthioureas as Promising Urease Inhibitors: Insights from in vitro Bioassay, Structure-activity Relationships and Computational Analysis.","authors":"Khansa Mumtaz, Sumera Zaib, Aamer Saeed, Atteeque Ahmed, Afifa Tur Rehman, Aneeza Asghar, Imtiaz Khan","doi":"10.17344/acsi.2025.9469","DOIUrl":"https://doi.org/10.17344/acsi.2025.9469","url":null,"abstract":"Helicobacter pylori is a Gram-negative bacteria responsible for gastrointestinal disorders, including chronic gastritis and potentially life-threatening conditions like gastric cancer. To manage these adverse outcomes, inhibiting the urease enzyme emerges as a promising strategy. A concise set of cyclopentyl-bearing N-acylthioureas 4a-j was synthesized, characterized and assessed for their ability to inhibit urease enzyme. All the tested compounds exhibited urease inhibitory activities, displaying superior enzyme inhibition when compared to the standard, thiourea (IC50 values 23.00 ± 0.03 μM). 4a and 4b exhibited the highest inhibitory efficacy with IC50 values of 2.21 ± 0.62 and 3.92 ± 0.59 μM, respectively. Both compounds demonstrated ≈10- and ≈6-folds superior inhibition than standard inhibitor, respectively. Moreover, molecular docking investigations revealed crucial interactions between potent ligands and active site residues. Molecular dynamics simulations and ADME properties revealed ligand-protein stability and druglikeness behavior of potent leads paving the way for treatment for gastritis.","PeriodicalId":7122,"journal":{"name":"Acta Chimica Slovenica","volume":"72 4","pages":"798-809"},"PeriodicalIF":1.3,"publicationDate":"2025-11-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145773208","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

Fostering Chemical Literacy through a Non-Formal Forensic Chemistry Module for 13-Year-Old Students. 通过非正式法医化学模块培养13岁学生的化学素养。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-23 DOI: 10.17344/acsi.2025.9491

Alenka Dražić, Iztok Devetak

引用次数: 0

Camel Bones as a Source of Fat: Optimization of Extraction Methods and Fatty Acid Composition Analysis. 骆驼骨作为脂肪来源：提取方法优化及脂肪酸组成分析。

IF 1.3 4区化学

Acta Chimica Slovenica Pub Date : 2025-11-23 DOI: 10.17344/acsi.2024.9089

Mohamed Mokadem, Habib Farhat, Khadra Mokadem

引用次数: 0

4-Bromobenzene Sulfonate Derivatives: Synthesis, Characterization, DFT and Molecular Docking Study. 4-溴苯磺酸盐衍生物：合成、表征、DFT及分子对接研究