Chemical Papers最新文献

{"title":"Corrosion inhibition performance of poly (N-(2-phenylhydrazine-1-carbonothioyl) Acrylamide/Acrylic Acid) (NPCA/AAc) for 304 stainless steel and 1070 aluminum alloy in chloride media","authors":"Nora Hamad Al-Shaalan,&nbsp;Safwat A. Mahmoud,&nbsp;Ghalia A. Gaber,&nbsp;Khamael Ibrahim Abdulwahid,&nbsp;Salha Alharthi,&nbsp;Mohamed Mohamady Ghobashy","doi":"10.1007/s11696-025-04502-w","DOIUrl":"10.1007/s11696-025-04502-w","url":null,"abstract":"<div><p>Corrosion in aggressive chloride environments presents significant obstacles to the structural integrity and durability of metals such as 304 stainless steel (SS) and 1070 aluminum (Al) alloy, widely used in industrial applications. This study investigates the corrosion inhibition efficiency of a novel inhibitor, N-(2-phenylhydrazine-1-carbonothioyl) acrylamide/polyacrylic acid poly(NPCA/AAc), which combines the adsorption capabilities of secondary amines, thioamide, and carboxylic acid groups with the film-forming properties of polyacrylic acid. Electrochemical techniques were used to evaluate corrosion inhibition performance, and surface morphology was analyzed using scanning electron microscopy (SEM) to assess the extent of surface protection. The optimum results were achieved with 0.05 mg/L Poly(NPCA/AAc), which significantly reduced corrosion current density (I_corr) for 304 SS (from 14.4809 to 9.5908 µA/cm²) and 1070 Al (from 8.33744 to 0.6735 µA/cm²). Charge transfer resistance (R_ct) increased for both alloys, indicating the formation of a stable protective film. SEM analysis confirmed smoother and more uniform surfaces, demonstrating the inhibitor’s ability to mitigate both uniform and localized corrosion. In conclusion, Poly(NPCA/AAc) exhibited mixed-type inhibition behavior, effectively reducing anodic dissolution and cathodic hydrogen evolution. Its dual effectiveness on ferrous and non-ferrous alloys highlights its potential as a versatile, eco-friendly corrosion inhibitor for industrial applications in aggressive chloride environments.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2137 - 2150"},"PeriodicalIF":2.5,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752381","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":"Development of a Self-Healing bilayer hydrogel wound dressing composed of hyaluronic Acid, collagen and silk fibroin","authors":"Beteja Bricori-Bayrak,&nbsp;Zelal İnan,&nbsp;Ecem Çiçek,&nbsp;Mehtap Şahin,&nbsp;Emel Tamahkar-Irmak","doi":"10.1007/s11696-025-04520-8","DOIUrl":"10.1007/s11696-025-04520-8","url":null,"abstract":"<div><p>This study was aimed to develop a novel self-healing bilayer hydrogel wound dressing. The hydrogel was developed using biopolymers: hyaluronic acid (HA), collagen, silk fibroin (SF) and polyvinyl alcohol (PVA). The inner sponge layer composed of HA and collagen was designed to be biodegradable and directly contact the wound surface, while the outer film layer containing HA, SF and PVA was designed to protect the wound. The wound dressing exhibited self-healing within 20 min, confirmed by optical microscopy. Physicochemical analyses including FTIR, SEM, swelling ratio, degradation profile and water vapor transmission rate (WVTR) were performed. The bilayer hydrogel showed a WVTR of 1500 ± 200 g/m²/day, useful for moderately to heavily exuding wounds and a swelling capacity suitable in absorbing exudate. After 7 days the sponge layer degraded by ~ 85%, aligning with the expected design for temporary wound coverage. These results determine that the bilayer hydrogel not only meets the physical and chemical requirements of an ideal wound dressing but also offers self-healing behavior, which increase its durability and functionality under mechanical stress. Therefore, this developed double layer material holds strong potential for advanced wound healing applications.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2379 - 2388"},"PeriodicalIF":2.5,"publicationDate":"2026-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752599","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":"A sensitive guanine-based DNA-biosensor to monitor Cabozantinib anticancer in biological samples","authors":"Mohamed J. Saadh,&nbsp;Nadhir N. A. Jafar,&nbsp;Nizar Jawad,&nbsp;Farag M. A. Altalbawy,&nbsp;Ghassan Ali Dayeh,&nbsp;Mandeep Kaur,&nbsp;Ali G. Alkhathami,&nbsp;Ali Altharawi","doi":"10.1007/s11696-025-04513-7","DOIUrl":"10.1007/s11696-025-04513-7","url":null,"abstract":"<div><p>The present article developed a highly sensitive DNA biosensor using modified screen-printed electrode (SPE) with polypyrrole (PP), praseodymium doped nanoneedle-assembled hierarchical NiO nanoflower (Pr³⁺/N-A H NiO NF) and ds-DNA to detect Cabozantinib as an anticancer drug. The ds-DNA/PP/Pr³⁺/N-A H NiO NF/SPE biosensor was created through a layer-by-layer fabrication process. Moreover, successful synthesis of Pr³⁺/N-A H NiO NF were verified by physicochemical characterization methods. The electrochemical impedance spectroscopy (EIS) revealed the ability of the modified SPE to reduce charge transfer resistance, resulting from the facilitated particle transfer and enhanced electrical conductivity. The biosensor accurately determined Cabozantinib within a range between 0.001 and 400.0 μM and LOD of 0.11 nM. It also effectively monitored Cabozantinib in real samples, with a recovery range between 98.0 and 100.8%.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2229 - 2243"},"PeriodicalIF":2.5,"publicationDate":"2026-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752382","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":"Development of hybrid smart models to accurately model nano-polyethylene glycol composite viscosity","authors":"Tianxiang Li,&nbsp;Ayat Hussein Adhab,&nbsp;Vicky Jain,&nbsp;Anupam Yadav,&nbsp;R. Roopashree,&nbsp;Aditya Kashyap,&nbsp;Suman Saini,&nbsp;Pushpa Negi Bhakuni,&nbsp;Shaxnoza Saydaxmetova,&nbsp;Morug Salih Mahdi,&nbsp;Aseel Salah Mansoor,&nbsp;Usama Kadem Radi,&nbsp;Nasr Saadoun Abd,&nbsp;Hojjat Abbasi","doi":"10.1007/s11696-025-04512-8","DOIUrl":"10.1007/s11696-025-04512-8","url":null,"abstract":"<div><p>The viscosity of nano-polyethylene glycol (PEG) composites, shaped by molecular and environmental factors, is critical for optimizing their performance in various industrial applications, demanding precise predictive models. This research develops a refined Gradient Boosting Decision Tree (GBDT) model, enhanced through four sophisticated optimization techniques: Batch Bayesian Optimization (BBO), Evolution Strategies (ES), Bayesian Probability Improvement (BPI), and Gaussian Processes Optimization (GPO). The model utilizes a dataset of 229 experimental data points, with 90% allocated for training and 10% for testing, incorporating input parameters such as shear rate, temperature, nano concentration, PEG molecular weight, and nano type index to forecast the viscosity of nano-PEG composites. To mitigate overfitting, k-fold cross-validation is applied during the training phase. The efficacy of each optimization method is evaluated using execution time and performance metrics, including R-squared (R²), mean squared error (MSE), and average absolute relative error (AARE%). Correlation analysis indicates that temperature has the strongest influence on viscosity with a correlation coefficient of  −0.22, followed by shear rate and PEG molecular weight (both  −0.14), nano concentration ( −0.03), and nano type index ( −0.03). Among the optimization techniques, GBDT-BPI stands out as the most accurate, achieving an R² of 0.988202 for training and 0.985078 for the total dataset, with an AARE% of 8.851454 for the total dataset, while GBDT-GPO offers the fastest computation time at 235.72 s compared to BPI’s 373.58 s. Sensitivity analysis verifies that all input features contribute to the viscosity prediction, with SHAP analysis identifying shear rate as the most impactful parameter, followed by nano concentration, temperature, nano type index, and PEG molecular weight. These models provide robust tools for predicting nano-PEG composite viscosity, minimizing the need for costly and time-intensive experimental approaches.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2209 - 2227"},"PeriodicalIF":2.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752488","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":"Artificial intelligence in polymer chemistry: opportunities and challenges","authors":"Ch. M. Seyidova,&nbsp;N. T. Shikhverdiyeva,&nbsp;H. F. Aslanova,&nbsp;N. T. Rahimli,&nbsp;N. A. Zeynalov,&nbsp;D. B. Tagiyev,&nbsp;F. C. Amiraslanova,&nbsp;I. V. Shikhverdiyev","doi":"10.1007/s11696-025-04509-3","DOIUrl":"10.1007/s11696-025-04509-3","url":null,"abstract":"<div>\u0000 \u0000 <p>This review examines the transformative role of Artificial Intelligence (AI) in polymer chemistry, highlighting both the opportunities and challenges in this rapidly evolving field. The integration of AI technologies has revolutionized traditional approaches to polymer design, synthesis, and characterization, enabling more efficient and precise materials development. We discuss key applications including the optimization of synthesis processes, the prediction of polymer properties, advanced material characterization, and molecular dynamics simulations. The review emphasizes how AI-driven approaches accelerate the discovery of novel polymers and enhance our understanding of structure–property relationships. While significant advantages are noted, including accelerated material discovery, improved process optimization, and enhanced predictive capabilities, we also address critical challenges such as limited data availability, complexity in polymer representation, and the interdisciplinary knowledge gap between AI and polymer science. The paper concludes with future perspectives on emerging AI applications in polymer chemistry, highlighting potential developments in sustainable materials, personalized medicine, and advanced manufacturing. This comprehensive analysis provides insights into how AI is reshaping polymer chemistry and outlines the path toward more efficient and innovative materials development.</p>\u0000 </div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2021 - 2039"},"PeriodicalIF":2.5,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752583","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":"Innovative water treatment for azole degradation: a short review of processing techniques and performances","authors":"Shaoqing Zhang,&nbsp;Fei Gao,&nbsp;Wenli Wang,&nbsp;Qifeng Liu","doi":"10.1007/s11696-025-04540-4","DOIUrl":"10.1007/s11696-025-04540-4","url":null,"abstract":"<div><p>Ensuring clean water quality is crucial for human health and environmental sustainability. The persistence of azole compounds—a class of antifungal agents (e.g., fluconazole, ketoconazole, miconazole)—in aquatic systems presents significant challenges to water quality management due to their endocrine-disrupting effects, contribution to antibiotic resistance, and resistance to conventional degradation. This review systematically examines recent advances in azole removal technologies, including UV photolysis, UV-Fenton, anode oxidation, photocatalysis (using metal oxides like TiO₂ and ZnO), ozonation, electrochemical oxidation, and adsorption. Key findings show that vacuum UV (VUV) and UVC-enhanced photolysis achieve complete (100%) degradation of certain azoles, while the UV-Fenton process degrades over 80% of miconazole under optimized conditions. Boron-doped diamond (BDD) anode oxidation demonstrates exceptional efficacy, eliminating 100% of Imazalil, tebuconazole, and penconazole within 60 min. Photocatalytic degradation using TiO₂ achieves &gt; 80% ketoconazole removal, attributed to enhanced charge separation and production of reactive oxygen species. Ozonation was proven to be a highly effective process is effective for some recalcitrant azoles, such as 99.1% removal of climbazole, while biodegradation shows species-dependent variability, with fluconazole exhibiting negligible removal. Adsorption and electrochemical oxidation also show high efficiency (70–95%) but need optimization for cost-effectiveness. Despite these advances, the combined use of processes, like hybrid photolysis-adsorption systems, remains unexplored. Further research should focus on understanding the degradation mechanisms, pathways, scalability over the life cycle, and developing standardized evaluation protocols across different water matrices. This works a roadmap for advancing azole remediation technologies to support sustainable water resource management.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2063 - 2082"},"PeriodicalIF":2.5,"publicationDate":"2026-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752458","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 of thiazole linked pyrimidine and chalcone derivatives: in-vitro anticancer studies and in-silico molecular docking simulations","authors":"Gajjela Venkata Nageswara Rao,&nbsp;Reddymasu Sreenivasulu,&nbsp;Mandava Bhuvan Tej,&nbsp;Mandava Bhagya Tej,&nbsp;Dontina Ganga Bhavani,&nbsp;Ravikumar Kapavarapu,&nbsp;Mandava V. Basaveswara Rao","doi":"10.1007/s11696-025-04554-y","DOIUrl":"10.1007/s11696-025-04554-y","url":null,"abstract":"<div><p>The synthesis of thiazole linked pyrimidine and chalcone derivatives <b>20a-j</b> was achieved by the Claisen-condensation reaction between thiazole-aldehyde and different types of aryl ketones in the presence of piperidine in ethanol at reflux for 12 h time. These derivatives were tested for their cytotoxicity values against MCF-7, A2780, A549 and Colo-205 cell lines with Etoposide as standard drug by utilizing MTT reduction assay protocol. Among the synthesized derivatives, the derivative <b>20a</b> with 3,4,5-trimethoxyaryl ring showed superior anticancer effect on all cell lines, with IC₅₀ values from MCF-7 = 0.05 ± 0.007 µM; A549 = 0.11 ± 0.047 µM; Colo-205 = 0.66 ± 0.062 µM and A2780 = 0.96. ± 0.075 µM. Molecular docking studies targeting human Topoisomerase IIβ revealed that several synthesized compounds, <b>20a, 20b, 20f, 20 g,</b> and <b>20j</b> exhibited notable binding affinities (− 5.9 to − 5.5 kcal/mol) in comparison to the standard drug Etoposide (− 6.5 kcal/mol). These candidates showed favourable interactions with critical active site residues such as GLN778, ASP479, ARG503, and MET782, which are crucial for stabilizing the topoisomerase–DNA complex. The interaction patterns suggest a potential mechanism for modulation at the protein-DNA interface. Among these, compound <b>20a</b> exhibited a favourable binding and interaction profile, positioning it as a promising hit for the development of novel anticancer therapeutics.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2819 - 2838"},"PeriodicalIF":2.5,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752502","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":"Separation of allyl alcohol and n-propanol by extractive distillation","authors":"Yong Pan,&nbsp;Zhaozhen Yang,&nbsp;YingZe Zhang","doi":"10.1007/s11696-025-04550-2","DOIUrl":"10.1007/s11696-025-04550-2","url":null,"abstract":"<div><p>The recovery and separation of high-purity allyl alcohol from the mixture of allyl alcohol and n-propanol is virtually impossible by ordinary distillation technique due to their boiling points differing by only 0.3 °C and have a relative volatility of 1.01. In this study, we developed an extractive distillation method using n-methylpyrrolidone (NMP) as entrainer for obtaining high purity allyl alcohol (&gt; 99%). First, the binary vapor–liquid equilibrium data between the extractant and the component to be separated were determined. Then, the feasibility of NMP as an entrainer was demonstrated using batch extractive distillation, and the effects of different reflux ratios and entrainer flow rate on the production of high-purity allyl alcohol were investigated, the optimal conditions comprise a reflux ratio of 2 and an extractant feed rate of 6.6 ml/min. In addition, the surface charge density and interaction energy were calculated based on the COSMO-SAC model and Gaussian to understand the interaction mechanism between the entraining agent NMP and the components in the mixture at the molecular level. This work provides a method for industrial separation of allyl alcohol and n-propanol.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2775 - 2783"},"PeriodicalIF":2.5,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752501","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":"Adsorption of phenolic pollutants on graphene oxide: steric and energetic interpretations via advanced approach","authors":"Khawla Nasri,&nbsp;Lotfi Sellaoui,&nbsp;Mohamed Mbarek,&nbsp;Nour Sghaier,&nbsp;Alessandro Erto","doi":"10.1007/s11696-025-04536-0","DOIUrl":"10.1007/s11696-025-04536-0","url":null,"abstract":"<div><p>A statistical physics-based approach was used to study the adsorption of phenol and 2,4-dichlorophenol (2,4-DCP) on graphene oxide (GO). A multilayer adsorption model developed by statistical physics was applied to elucidate the adsorption mechanism at the molecular scale, thereby indicating the limitations of classical models. The model was parameterized using experimental adsorption data collected at various temperatures, enabling the estimation of model parameters corresponding to different physicochemical properties such as the number of phenolic molecules adsorbed per active site, the density of active sites on the GO surface, the adsorption capacity, and the types of interactions involved in the process. Based on the modelling results, it was retrieved that the adsorption of phenol and 2,4-DCP on GO occurs via a multimolecular process governed by low degree of aggregation phenomena. The maximum adsorption capacities for phenol and 2,4-DCP were found to be 445.8 mg/g and 111.1 mg/g, respectively. The estimation of the adsorption energy highlights that the process is a physisorption. The explanation of positional entropy provided additional insights regarding the arrangement of phenol and 2,4-DCP molecules during adsorption on GO surface. Overall, this study provides an enhanced theoretical interpretation of the adsorption mechanisms at molecular level of two phenolic pollutants on GO surface, highlighting the superior ability of a statistical physics modeling in elucidating adsorption phenomena, compared to classical adsorption models.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2615 - 2625"},"PeriodicalIF":2.5,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752499","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, characterization, enzyme inhibition evaluations, and docking calculations of sulfonamide chalcone derivatives","authors":"Gonca Çelik,&nbsp;Tayfun Arslan,&nbsp;Halil Gökce,&nbsp;Eda Mehtap Özden,&nbsp;İlhami Gülçin,&nbsp;Nurettin Yaylı","doi":"10.1007/s11696-025-04555-x","DOIUrl":"10.1007/s11696-025-04555-x","url":null,"abstract":"<div><p>The inhibition of enzymes is a highly practical area in drug development. In this study, twelve sulfonamide-containing chalcone derivatives (<b>9</b>–<b>20</b>) were synthesised. The inhibitory effects of these compounds on the isoenzymes carbonic anhydrase I (hCA I) and II (hCA II), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) were also investigated. These compounds demonstrated good in vitro inhibition of both hCA I and hCA II. They exhibited highly potent inhibitory effects on AChE and BChE (IC₅₀ values ranging from 7.75 to 49.60 nM for AChE and 8.80 to 36.65 nM for BChE), and the results were compared with the standard inhibitor Tacrine (IC₅₀: 34.65 nM for AChE and 26.65 nM for BChE). Of the compounds tested, compound <b>15</b> showed excellent in vitro inhibition of AChE (IC₅₀: 7.75 nM) in the nanomolar range, while compound <b>20</b> showed the highest inhibition of BChE (IC₅₀: 8.80 nM). To validate the experimental results, molecular docking simulations were performed for all synthesised compounds, which proved to be consistent. Examination of the results indicates that the sulfonamide chalcone derivatives have potential activity against the target enzymes AChE and BChE at the molecular level.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2839 - 2850"},"PeriodicalIF":2.5,"publicationDate":"2025-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752490","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}