Results in Chemistry最新文献

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Design, synthesis and biological evaluation of novel C-6 and N-9 modified purine nucleosides as EGFR kinase inhibitor 新型C-6和N-9修饰嘌呤核苷作为EGFR激酶抑制剂的设计、合成和生物学评价
IF 4.2
Results in Chemistry Pub Date : 2025-09-17 DOI: 10.1016/j.rechem.2025.102715
Mital Bhatt , Khushal Kapadiya , Jignesh Kamdar , Jatin Upadhyay
{"title":"Design, synthesis and biological evaluation of novel C-6 and N-9 modified purine nucleosides as EGFR kinase inhibitor","authors":"Mital Bhatt ,&nbsp;Khushal Kapadiya ,&nbsp;Jignesh Kamdar ,&nbsp;Jatin Upadhyay","doi":"10.1016/j.rechem.2025.102715","DOIUrl":"10.1016/j.rechem.2025.102715","url":null,"abstract":"<div><div>A series of novel purine nucleoside analogs, <em>N</em>-(1-benzylpiperidin-4-yl)-2-chloro-9-alkyl-9<em>H</em>-purin-6-amine derivatives <strong>(4a–4j)</strong>, were synthesized via C-6 amination and N-9 alkylation of 2,6-dichloropurine. The synthetic route utilized simple, metal-free conditions suitable for industrial applications. Structural modifications were introduced to enhance the cytostatic activity of the compounds against breast cancer MCF-7 cell lines. Among the derivatives, compound <strong>4c</strong> (<em>N</em>-(1-benzylpiperidin-4-yl)-2-chloro-9-methyl-9<em>H</em>-purin-6-amine) demonstrated significant cytostatic activity with an IC<sub>50</sub> of 21.5 μM, outperforming other analogs but remaining less potent than the reference drug, Cisplatin (IC<sub>50</sub> = 12.5 μM). Molecular docking studies supported the bio-mimetic nature of these compounds compared to standard drugs. The structure of compound <strong>4c</strong> was further validated using DFT through the HOMO and LUMO energy values, which demonstrated well agreement with the experimental spectra. The findings highlight the potential of lower alkyl-modified purine nucleosides as promising leads for further anticancer development and optimization.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102715"},"PeriodicalIF":4.2,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cassipourol isolated from red betel (Piper crocatum): Molecular docking and ADMET analysis against Candida albicans 红槟榔(Piper crocatum)中卡西酚的分子对接及抗白色念珠菌的ADMET分析
IF 4.2
Results in Chemistry Pub Date : 2025-09-17 DOI: 10.1016/j.rechem.2025.102716
Norma Aura Tristyaningrum , Tati Herlina , Leny Heliawati , Denny Nurdin , Ida Ayu Evangelina , Dikdik Kurnia
{"title":"Cassipourol isolated from red betel (Piper crocatum): Molecular docking and ADMET analysis against Candida albicans","authors":"Norma Aura Tristyaningrum ,&nbsp;Tati Herlina ,&nbsp;Leny Heliawati ,&nbsp;Denny Nurdin ,&nbsp;Ida Ayu Evangelina ,&nbsp;Dikdik Kurnia","doi":"10.1016/j.rechem.2025.102716","DOIUrl":"10.1016/j.rechem.2025.102716","url":null,"abstract":"<div><div>Oral candidiasis is one of the most widespread fungal infections that cause disease in the oral cavity area. The azole-class antibiotics are commonly used to treat candidiasis, but the growing issue of antibiotic resistance poses a significant challenge. Red Betel (<em>Piper crocatum</em>) is used as a traditional medicine to cure several diseases caused by fungi, such as oral thrush and vaginal discharge. Bioactivity-guided isolation from the methanol extract of <em>P. crocatum</em> leaves against <em>C. albicans</em> led to the identification of a terpenoid compound, cassipourol. The structure was established through NMR analysis (1D and 2D), Mass Spectrometry (MS), and comparison with previously reported data in the literature. Cassipourol was shown to have moderate antifungal activity with MIC 625 <span><math><mrow><mi>μ</mi></mrow></math></span>g/mL. Molecular docking studies, ADMET (absorption, distribution, metabolism, and toxicity), and drug-likeness analysis of cassipourol and its derivative were conducted to support the prediction of the mechanism against <em>C. albicans</em>.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102716"},"PeriodicalIF":4.2,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structure identification and in vitro immunomodulatory activities of polysaccharide AHL26-P from Arachis hypogaea (Tianfu 26) leaves 天府花生叶多糖AHL26-P的结构鉴定及体外免疫调节活性
IF 4.2
Results in Chemistry Pub Date : 2025-09-17 DOI: 10.1016/j.rechem.2025.102724
Yixue Wang , Ruijia Lu , Xiang Ding , Yu You , Yintang Lin , Yiling Hou , Youlin Xia
{"title":"Structure identification and in vitro immunomodulatory activities of polysaccharide AHL26-P from Arachis hypogaea (Tianfu 26) leaves","authors":"Yixue Wang ,&nbsp;Ruijia Lu ,&nbsp;Xiang Ding ,&nbsp;Yu You ,&nbsp;Yintang Lin ,&nbsp;Yiling Hou ,&nbsp;Youlin Xia","doi":"10.1016/j.rechem.2025.102724","DOIUrl":"10.1016/j.rechem.2025.102724","url":null,"abstract":"<div><div>Peanut leaves, an underutilized agricultural by-product of peanut cultivation, represent a sustainable source of bioactive polysaccharides. In this study, a novel polysaccharide (AHL26-P) was obtained from peanut leaves of Tianfu 26. The chemical structure and biological activities of AHL26-P was elucidated, with emphasis on its immunomodulatory and anti-tumor effects. The results showed that AHL26-P had a heavy average molecular weight (Mw) of 8476 Da. The backbone of AHL26-P consisted of (1 → 4)-Glc<em>p</em>, (1 → 3,6)-Glc<em>p</em>, (1 → 4,6)-Glc<em>p</em>, (1 → 2,6)-Gal<em>p</em>, (1 → 6)-β-D-Gal<em>p</em>, and four branched chains were terminated by two →2)-α-D-Glc<em>p</em> and two →1)-α-D-Xyl<em>p</em>, respectively. Immunoreactivity studies revealed that the proliferation rates of B, T, and RAW 264.7 cells treated with 10 μg/mL of AHL26-P were 79.72 %, 49.36 %, and 86.00 %, respectively. The results of anti-tumor assay revealed that AHL26-P could directly inhibit the proliferation of Mouse Forestomach Carcinoma cell (MFC) and ascites tumor (S180). These results enriched the theoretical research system of peanut leaf polysaccharide and provided a foundation for developing functional foods with immune-enhancing properties.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102724"},"PeriodicalIF":4.2,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biological activities of chitosan-schiff base-metal (Ag and Zn) nanocomposites 壳聚糖-席夫贱金属(银和锌)纳米复合材料的生物活性
IF 4.2
Results in Chemistry Pub Date : 2025-09-16 DOI: 10.1016/j.rechem.2025.102717
Ali Mohammad Amani , Razieh Gholizadeh , Seyed Reza Kasaee , Zahra Zareshahrabadi , Hesam Kamyab , Shreeshivadasan Chelliapan , Sareh Mosleh-Shirazi
{"title":"Biological activities of chitosan-schiff base-metal (Ag and Zn) nanocomposites","authors":"Ali Mohammad Amani ,&nbsp;Razieh Gholizadeh ,&nbsp;Seyed Reza Kasaee ,&nbsp;Zahra Zareshahrabadi ,&nbsp;Hesam Kamyab ,&nbsp;Shreeshivadasan Chelliapan ,&nbsp;Sareh Mosleh-Shirazi","doi":"10.1016/j.rechem.2025.102717","DOIUrl":"10.1016/j.rechem.2025.102717","url":null,"abstract":"<div><div>A novel sustained-release technique for supplementing with zinc and silver, known as (3-Formyl-4-hydroxybenzyl)triphenylphosphonium chloride-chitosan Schiff base (CSB-Ag-Zn), is presented in the current study. The goal of this system's development was to supply zinc. This system was developed using CSB-Zn-Ag nanocomposites, which had been chelated with Zn<sup>2+</sup> and Ag<sup>+</sup>, to enhance the utilization ratio of trace elements zinc and silver. Several analytical methods, like transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), and dynamic light scattering (DLS), were used to characterize the samples. The TEM results indicated that the Ag and Zn nanoparticles had a mean size of 27.5 nm, a low degree of agglomeration, and a roughly spherical shape. They were also evenly distributed throughout the CSB. Furthermore, the mean size of CSB-Ag-Zn NPs was 69.6 nm, indicating that the chitosan coating on the Zn and Ag nanoparticles' surface successfully. The nanocomposite demonstrated potent antibacterial activity with MICs of 4 μg/mL and 2 μg/mL for <em>S. aureus</em> and <em>E. coli</em>, respectively. The antimicrobial activities of CSB-Ag-Zn NPs against different fungi and bacteria types indicated remarkable antibacterial and antifungal effectiveness, potentially useful for future biomedical applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102717"},"PeriodicalIF":4.2,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
ZnO/chitin/Fe3O4 nanocomposite as an efficient adsorbent for preconcentration and trace determination of non-steroidal anti-inflammatory drugs ZnO/几丁质/Fe3O4纳米复合材料在非甾体类抗炎药预富集和痕量测定中的应用
IF 4.2
Results in Chemistry Pub Date : 2025-09-16 DOI: 10.1016/j.rechem.2025.102722
Alireza Shirmahi , Maryam Rajabi , Hamidreza Haghgoo Qezelje , Hossein Youssefian , Sayeh Ghanbari Adivi , Sara Zolfaghari , Ahmad Hosseini-Bandegharaei , Ozara Peiravi , Mehdi Mousavi Kamazani , Alireza Asghari
{"title":"ZnO/chitin/Fe3O4 nanocomposite as an efficient adsorbent for preconcentration and trace determination of non-steroidal anti-inflammatory drugs","authors":"Alireza Shirmahi ,&nbsp;Maryam Rajabi ,&nbsp;Hamidreza Haghgoo Qezelje ,&nbsp;Hossein Youssefian ,&nbsp;Sayeh Ghanbari Adivi ,&nbsp;Sara Zolfaghari ,&nbsp;Ahmad Hosseini-Bandegharaei ,&nbsp;Ozara Peiravi ,&nbsp;Mehdi Mousavi Kamazani ,&nbsp;Alireza Asghari","doi":"10.1016/j.rechem.2025.102722","DOIUrl":"10.1016/j.rechem.2025.102722","url":null,"abstract":"<div><div>In this study, an eco-friendly ZnO/Fe₃O₄/Chitin nanocomposite was synthesized using chitin extracted from mealworm skin and applied as an efficient adsorbent for the preconcentration and determination of non-steroidal anti-inflammatory drugs (NSAIDs), namely naproxen and mefenamic acid, via ultrasonic-assisted dispersive micro solid-phase extraction (UA-d-μ-SPE) coupled with HPLC-UV–Vis. Experimental variables affecting adsorption and desorption were optimized through central composite design (CCD) and one-variable-at-a-time (OVAT) methods. The Langmuir isotherm best described the sorption behavior, with maximum monolayer capacities (q<sub>max</sub>) of 69.75 and 55.29 mg/g for naproxen and mefenamic acid, respectively. Thermodynamic analysis confirmed spontaneous and feasible adsorption, while kinetic data followed a pseudo-first-order model. Under optimized conditions, limits of detection were 1.5 and 1.4 ng mL<sup>−1</sup>, with linear dynamic ranges of 5.0–550 ng mL<sup>−1</sup> and enrichment factors of ∼37. The nanocomposite demonstrated good precision (RSD &lt; 4 %) and reusability up to eight cycles without significant performance loss. These results highlight ZnO/Fe₃O₄/Chitin as a sustainable and reliable nanoadsorbent for trace analysis of NSAIDs in biological matrices.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102722"},"PeriodicalIF":4.2,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silicon quantum dots-based non-enzymatic fluorescence sensor for ultrasensitive detection of methyl parathion 基于硅量子点的非酶荧光传感器超灵敏检测甲基对硫磷
IF 4.2
Results in Chemistry Pub Date : 2025-09-16 DOI: 10.1016/j.rechem.2025.102713
Pute Yang , Shangyu Hou , Xiaoqian Liu , Rong Yang , Zichen Wang , Qin Zhou
{"title":"Silicon quantum dots-based non-enzymatic fluorescence sensor for ultrasensitive detection of methyl parathion","authors":"Pute Yang ,&nbsp;Shangyu Hou ,&nbsp;Xiaoqian Liu ,&nbsp;Rong Yang ,&nbsp;Zichen Wang ,&nbsp;Qin Zhou","doi":"10.1016/j.rechem.2025.102713","DOIUrl":"10.1016/j.rechem.2025.102713","url":null,"abstract":"<div><div>This study developed a novel non-enzymatic fluorescent sensing method based on silicon quantum dots (SiQDs) for the highly sensitive detection of methyl parathion (MP) residues. SiQDs were synthesized via a hydrothermal method using 3-<em>aminopropyltriethoxysilane</em> (APTES) as the silicon precursor and acetaminophen (APAP) as the reducing agent. The method relies on the hydrolysis of MP under alkaline conditions to generate p-nitrophenol (p-NP), which exhibites strong absorption at 400 nm and quenches the fluorescence of SiQDs through the inner filter effect (IFE). This enables the construction of a non-enzymatic fluorescent sensing system for the quantitative detection of MP. Compared with traditional enzyme-based sensors, this method eliminates the need for biological enzymes, offering enhanced stability, lower cost, and simpler operation. Experimental results showed that the sensing system exhibited an excellent linear response within the range of 0.01–9 μg/mL (R<sup>2</sup> = 0.9961), with a detection limit of 0.003 μg/mL. Furthermore, the SiQDs demonstrated good stability in solid form, which supported their potential for practical applications.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102713"},"PeriodicalIF":4.2,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silver-functionalized covalent organic polymer as a heterogeneous catalyst for the mannich reaction: A green approach to ondansetron synthesis 作为曼尼希反应多相催化剂的银功能化共价有机聚合物:合成昂丹司琼的绿色途径
IF 4.2
Results in Chemistry Pub Date : 2025-09-16 DOI: 10.1016/j.rechem.2025.102684
Maryam Nazifi, Salman Taheri, Najmedin Azizi
{"title":"Silver-functionalized covalent organic polymer as a heterogeneous catalyst for the mannich reaction: A green approach to ondansetron synthesis","authors":"Maryam Nazifi,&nbsp;Salman Taheri,&nbsp;Najmedin Azizi","doi":"10.1016/j.rechem.2025.102684","DOIUrl":"10.1016/j.rechem.2025.102684","url":null,"abstract":"<div><div>In this study, a silver-functionalized covalent organic Polymer (Ag-COP) was developed and utilized as a heterogeneous catalyst for the synthesis of β-amino carbonyl compounds via the Mannich reaction. The porous COP was synthesized through the condensation reaction of melamine and phthalic acid, followed by silver sulfate incorporation via post-synthetic modification. The prepared COP and Ag-COP samples were characterized using FTIR, SEM, XRD, BET, TGA, and EDX to confirm their structural integrity and composition. The catalytic efficiency of Ag-COP was evaluated in the Mannich reaction, demonstrating high yield, reduced reaction time, and excellent recyclability. Furthermore, the Ag-COP catalyst was successfully applied in the synthesis of Ondansetron, achieving high purity, good yield, and a significantly shorter reaction time.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102684"},"PeriodicalIF":4.2,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthetic efforts toward the framework of rhynchines A–E 对鸦腹纲A-E框架的综合努力
IF 4.2
Results in Chemistry Pub Date : 2025-09-16 DOI: 10.1016/j.rechem.2025.102718
Xian Lu, Yinghao Cao, Yuecai Chang, Yaxuan Du, Linzhe Fan, Beiling Gao
{"title":"Synthetic efforts toward the framework of rhynchines A–E","authors":"Xian Lu,&nbsp;Yinghao Cao,&nbsp;Yuecai Chang,&nbsp;Yaxuan Du,&nbsp;Linzhe Fan,&nbsp;Beiling Gao","doi":"10.1016/j.rechem.2025.102718","DOIUrl":"10.1016/j.rechem.2025.102718","url":null,"abstract":"<div><div>We designed and attempted the collective total synthesis of rhynchines A–E, successfully developing a rapid method for constructing their chiral tetracyclic core framework. Starting from commercially available amino acid, we achieved the target 6/5/7/5 tetracyclic framework through three sequential steps: reductive amination, ester hydrolysis, and Friedel-Crafts acylation. After unsuccessful attempts at <em>α</em>-ethylation of the amide, we successfully constructed ethyl-substituted 6/5/7/5 tetracyclic compounds by introducing the ethyl group prior to five-membered lactam formation through a three-step sequence.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102718"},"PeriodicalIF":4.2,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109450","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comparison of sunlight-driven photocatalytic activity of eco-friendly synthesized ZnO/CuO, ZnO/NiO and NiO/CuO binary nanocomposites 生态友好型合成ZnO/CuO、ZnO/NiO和NiO/CuO二元纳米复合材料的光催化活性比较
IF 4.2
Results in Chemistry Pub Date : 2025-09-15 DOI: 10.1016/j.rechem.2025.102708
Lema Yadeta Gemachu , Feyissa Haile Terefa , Asnake Lealem Berhanu , Raji Feyisa Bogale
{"title":"Comparison of sunlight-driven photocatalytic activity of eco-friendly synthesized ZnO/CuO, ZnO/NiO and NiO/CuO binary nanocomposites","authors":"Lema Yadeta Gemachu ,&nbsp;Feyissa Haile Terefa ,&nbsp;Asnake Lealem Berhanu ,&nbsp;Raji Feyisa Bogale","doi":"10.1016/j.rechem.2025.102708","DOIUrl":"10.1016/j.rechem.2025.102708","url":null,"abstract":"<div><div>This research investigates the green synthesis and characterization of three binary metal oxide nanocomposites: ZnO/CuO, ZnO/NiO, and NiO/CuO. An environmentally friendly approach using plant extracts as bioreductants enabled the synthesis of these materials at room temperature, minimizing environmental impact. The nanocomposites were successfully synthesized and detailed characterization using techniques such as XRD, SEM, TEM, and UV–Vis spectroscopy confirmed their distinct structural and optical features. The average crystallite sizes were 13.98 nm (ZnO/CuO), 18.28 nm (ZnO/NiO), and 20.58 nm (NiO/CuO), with corresponding optical band gaps of 2.48 eV, 2.59 eV, and 2.62 eV. The photocatalytic efficiency of these materials was evaluated for the degradation of methylene blue (MB) dye under sunlight, with the performance following the order ZnO/CuO &gt; ZnO/NiO &gt; NiO/CuO. The ZnO/CuO nanocomposite showed the highest activity, achieving 95.42 % MB degradation within the defined period. The superior performance is attributed to the formation of an efficient heterojunction that enhances charge carrier separation and minimizes electron-hole recombination. These findings underscore the significant potential of green-synthesized binary metal oxide nanocomposites as efficient and sustainable photocatalysts for addressing wastewater pollution.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102708"},"PeriodicalIF":4.2,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Copper-based electrochemical sensor derived from halogen-substituted Schiff base for selective detection of neurotransmitter dopamine: Insight from DFT and docking analysis 基于卤素取代希夫碱的铜基电化学传感器用于神经递质多巴胺的选择性检测:来自DFT和对接分析的见解
IF 4.2
Results in Chemistry Pub Date : 2025-09-15 DOI: 10.1016/j.rechem.2025.102707
Ibrahim Waziri , Tunde L. Yusuf , Chandan Saha , Sheldon Sookai , Adedapo S. Adeyinka , Alfred J. Muller
{"title":"Copper-based electrochemical sensor derived from halogen-substituted Schiff base for selective detection of neurotransmitter dopamine: Insight from DFT and docking analysis","authors":"Ibrahim Waziri ,&nbsp;Tunde L. Yusuf ,&nbsp;Chandan Saha ,&nbsp;Sheldon Sookai ,&nbsp;Adedapo S. Adeyinka ,&nbsp;Alfred J. Muller","doi":"10.1016/j.rechem.2025.102707","DOIUrl":"10.1016/j.rechem.2025.102707","url":null,"abstract":"<div><div>The significant influence of dopamine levels on biological processes and diseases necessitates precise and selective detection methods, crucial for conditions like Parkinson's and Alzheimer's diseases. In this study, copper(II) complexes (C1-C3) derived from halogen-substituted Schiff base ligands were synthesized <em>in situ</em> without isolating the ligands, employing methanol as a solvent at room temperature. Characterization through FTIR, UV–Vis, elemental analysis, and mass spectroscopy, along with single crystal X-ray diffraction (SCXRD) analysis, unveiled the solid-state structures of the complexes. Notably, the ligands acted as bidentate mono-negative, coordinating the Cu(II) ion through oxygen and nitrogen atoms, resulting in a square planar geometry. These modified complexes were applied to glassy carbon electrodes (GCEs) for electrochemical sensing of dopamine using differential pulse voltammetry (DPV) and cyclic voltammetry (CV) methods, with dopamine concentrations ranging from 2 to 10 μM. While C2 did not detect dopamine at any tested concentrations, C1 and C3 emerged as effective electrode materials for dopamine sensing, with C3 exhibiting superior performance by providing an effective surface area for the electrochemical oxidation of dopamine. The sensitivity and limits of detection (LOD) for C1 and C3 were determined to be 0.72 μAcm<sup>−2</sup> μM<sup>−1</sup> and 1.67 μM, and 3.72 μAcm<sup>−2</sup> μM<sup>−1</sup> and 0.52 μM, respectively. The proposed method exhibited no interference by γ-amino butyric acid, uric acid, ascorbic acid, and glucose at concentrations of 15 μM. Additionally, results from computational studies involving DFT, molecular docking, and molecular dynamic simulations not only supported the experimental findings but also elucidated the interaction mechanisms between the compounds and dopamine. These findings position the electrochemical sensors, particularly C3, as promising candidates for the development of sensitive and low-limit electrochemical sensors.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"18 ","pages":"Article 102707"},"PeriodicalIF":4.2,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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