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Optimization of polyphenol extraction, phenolic profile by LC-ESI-MS/MS, antioxidant, anti-enzymatic, and cytotoxic activities of Physalis acutifolia 优化刺五加的多酚提取、LC-ESI-MS/MS 分析酚谱、抗氧化、抗酶和细胞毒性活性
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-23 DOI: 10.1515/chem-2024-0040
Larbi Derbak, Hamdi Bendif, Radia Ayad, Chawki Bensouici, İlyas Yildiz, Ibrahim Demirtas, Khellaf Rebbas, Gabriel Plavan, Naoufel Ben Hamadi, Abdelghafar M. Abu-Elsaoud, Maryam M. Alomran, Sadin Özdemir, Fehmi Boufahja
Graphical abstract
图形摘要
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引用次数: 0
Assessment of anti-diabetic properties of Ziziphus oenopolia (L.) wild edible fruit extract: In vitro and in silico investigations through molecular docking analysis 野生食用果实提取物的抗糖尿病特性评估:通过分子对接分析进行体外和硅学研究
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-14 DOI: 10.1515/chem-2024-0032
R. Shunmuga Vadivu, Senthil Bakthavatchalam, Vasthi Gnana Rani, Abdurahman Hajinur Hirad, Zhi-Hong Wen, Chien-Han Yuan, Ramachandran Vinayagam
Globally, healthcare is concerned about the rising prevalence of type 2 diabetes. Phytochemicals from medicinal plants have shown great promise in improving human health. The present study aimed to determine the secondary metabolites of Ziziphus oenopolia (L.) fruit extract that contribute to its anti-diabetic activity. The anti-diabetic properties were assessed by in vitro and in silico approaches using α-amylase and α-glucosidase inhibitory assays. Gas chromatography and mass spectroscopy analyses were used to profile Z. oenopolia fruit contents, and a total of four bioactive chemicals and eight phytocompounds were tentatively identified, including flavonoids, terpenoids, phenols, steroids, tannins, and saponins. The Z. oenopolia fruit hydroalcoholic extract inhibits α-amylase and α-glucosidase enzymes in a dose-dependent manner (IC50 = 328.76 and 337.28 µg/mL, R 2 = 0.979 and 0.981). Additionally, phytochemicals found in Z. oenopolia fruit exhibit the ability to inhibit anti-diabetic targets, specifically α-amylase and α-glucosidase (2QV4 vs 3A4A; correlation coefficient, r = 0.955), as demonstrated by computational analysis. This establishes the fruit as a promising and environmentally friendly option for treating hyperglycemia, highlighting the positive correlation between anti-diabetic objectives.
在全球范围内,2 型糖尿病发病率的上升引起了医疗保健界的关注。从药用植物中提取的植物化学物质在改善人类健康方面大有可为。本研究旨在确定 Ziziphus oenopolia(L.)果实提取物中有助于其抗糖尿病活性的次生代谢物。通过体外和硅学方法,使用α-淀粉酶和α-葡萄糖苷酶抑制试验评估了其抗糖尿病特性。利用气相色谱和质谱分析法对 Z. oenopolia 果实的成分进行了分析,共初步鉴定出四种生物活性化学物质和八种植物化合物,包括黄酮类、萜类、酚类、甾体、单宁和皂苷。油橄榄果实水醇提取物对α-淀粉酶和α-葡萄糖苷酶的抑制作用呈剂量依赖性(IC50 = 328.76 和 337.28 µg/mL,R 2 = 0.979 和 0.981)。此外,计算分析表明,在泽泻果实中发现的植物化学物质具有抑制抗糖尿病目标的能力,特别是α-淀粉酶和α-葡萄糖苷酶(2QV4 与 3A4A;相关系数,r = 0.955)。这证明该水果是治疗高血糖的一种有前途的环保选择,突出了抗糖尿病目标之间的正相关性。
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引用次数: 0
Acute toxicity and anti-inflammatory activity of bis-thiourea derivatives 双硫脲衍生物的急性毒性和抗炎活性
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-14 DOI: 10.1515/chem-2024-0033
Muhammad Naveed Umar, Muhammad Shoaib, Mehreen Ghias, Shakila Bibi, Muhammad Zahoor, Sher Wali Khan, Riaz Ullah, Essam A. Ali, Naila Gulfam, Syed Wadood Ali Shah
In the current work, bis-thiourea derivatives have been synthesized through condensation reaction between isothiocynates and diamines in dry acetone to form SK1 (1,2-bis(N-benzoylthioureido) benzene), SK2 (1,3-bis(N-benzoylthioureido) benzene), and SK3 (1,4-bis(N-benzoylthioureido) benzene). The structures of new synthesized derivatives were confirmed through melting point and spectroscopic technique such as 1HNMR only. The synthesized compounds were assessed for acute toxicity test and are proved free of toxicity. The derivatives were further tested as anti-inflammatory agents by in vitro lipoxygenase enzyme inhibition studies, molecular docking, and in vivo carrageenan-induced paw edema assay, and histamine-induced edema test. The overall observations presented that compounds SK1 and SK3 possess promising anti-inflammatory potential, while compound SK2 is found to be a good anti-inflammatory agent.
在当前的研究工作中,通过异硫氰酸盐和二胺在干丙酮中的缩合反应合成了双硫脲衍生物,形成了 SK1(1,2-双(N-苯甲酰基硫脲基)苯)、SK2(1,3-双(N-苯甲酰基硫脲基)苯)和 SK3(1,4-双(N-苯甲酰基硫脲基)苯)。新合成衍生物的结构通过熔点和 1HNMR 等光谱技术得到了确认。对合成的化合物进行了急性毒性测试,证明其无毒性。通过体外脂氧合酶抑制研究、分子对接、体内卡拉胶诱导的爪水肿试验和组胺诱导的水肿试验,进一步测试了这些衍生物的抗炎性能。总体观察结果表明,化合物 SK1 和 SK3 具有良好的抗炎潜力,而化合物 SK2 则是一种良好的抗炎剂。
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引用次数: 0
Antifungal, antioxidant, and photocatalytic activities of greenly synthesized iron oxide nanoparticles 绿色合成的氧化铁纳米颗粒的抗真菌、抗氧化和光催化活性
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-14 DOI: 10.1515/chem-2024-0031
Khalid Maniah
The build-up of synthetic dyes in the environment and aquatic ecology is a significant environmental issue due to their inability to break down naturally. The overuse of chemical fungicides also poses a threat to the environment due to their accumulation and fostering of fungal resistance. Hence, the study was conducted to detect the antifungal properties and photocatalytic activity of greenly synthesized iron oxide nanoparticles (IONPs) prepared using the Hibiscus sabdariffa flower extract. The biogenic IONPs showed the highest photocatalytic activity against rhodamine B dye at a concentration of 4.0 mg/ml. The biogenic IONPs also demonstrated effective antifungal properties against Penicillium digitatum and Aspergillus niger strains, with relative inhibition percentages of mycelial growth being higher than those with the metalaxyl + mancozeb fungicide at 800 ppm concentration. The efficient photocatalytic activity of the biogenic IONPs against rhodamine B dye and their effective antifungal properties suggest their potential use as safe substitutes for commercial fungicides.
由于合成染料无法自然分解,它们在环境和水生生态中的积累是一个重大的环境问题。化学杀菌剂的过度使用也对环境造成了威胁,因为它们会累积并产生真菌抗药性。因此,本研究利用木槿花提取物制备了绿色合成氧化铁纳米粒子(IONPs),以检测其抗真菌特性和光催化活性。当浓度为 4.0 毫克/毫升时,生物源 IONPs 对罗丹明 B 染料的光催化活性最高。生物源 IONPs 还对数字青霉和黑曲霉菌株表现出有效的抗真菌特性,对菌丝生长的相对抑制率高于浓度为 800 ppm 的 metalaxyl + mancozeb 杀菌剂。生物源 IONPs 对罗丹明 B 染料的高效光催化活性及其有效的抗真菌特性表明,它们有可能成为安全的商用杀菌剂替代品。
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引用次数: 0
Comparative toxicity assessment of fisetin-aided artificial intelligence-assisted drug design targeting epibulbar dermoid through phytochemicals 通过植物化学物质对鱼腥草素辅助人工智能药物设计靶向上皮瘤的毒性比较评估
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-09 DOI: 10.1515/chem-2023-0197
Muhammad Naveed, Amina Abid, Tariq Aziz, Ayesha Saleem, Nimra Hanif, Imran Ali, Abdullah F. Alasmari
Epibulbar dermoid, benign tumors resulting from the improper function of the pathogenic protein Patched 1 (PTCH1), surgical interventions are employed to mitigate the lethal effects. However, these procedures often lead to complications such as scleral weakening and corneal astigmatism. Due to the absence of effective medical treatments, there is a critical need for novel approaches to prevent the spread of this disease. This study not only fills a key gap in medical therapy for epibulbar dermoid, but it also demonstrates AI’s transformational potential in drug development. Employing an AI drug design service, three efficient de novo therapeutic compounds targeting the PTCH1 protein were crafted with Fisetin. The method included obtaining the PTCH1 protein sequence from NCBI, computing physiochemical parameters with Expasy Protparam, and estimating the 3D structure with SWISS-MODEL. Quality assessment, binding site prediction, drug design with WADDAICA, Lipinski’s Rule of 5, toxicity screening, ADMET evaluation, docking analysis with CB-dock and Patch dock, and MD simulations with IMOD all work together to provide an adequate basis for the development and validation of AI-designed phytochemical medicines for epibulbar dermoid. Comprehensive pharmacokinetic and toxicity assessments demonstrated the outstanding absorbency of AI-designed Fisetin in the blood–brain barrier, emphasizing its non-toxic nature. The AI-designed Fisetin exhibits a notable affinity of approximately −9.2 kcal/mol during docking with the PTCH1 protein, suggesting its potential as a drug. While the in silico results indicate efficiency and safety, the necessity for in vivo testing is acknowledged to validate these promising findings. This research significantly advances the frontier of knowledge by proposing a non-invasive solution to epibulbar dermoid, addressing current limitations, and offering potential alternatives to conventional surgical interventions.
上睑下垂瘤是由于致病蛋白 Patched 1(PTCH1)功能失调而导致的良性肿瘤,手术干预可减轻其致命影响。然而,这些手术通常会导致巩膜变薄和角膜散光等并发症。由于缺乏有效的医疗手段,因此亟需新的方法来预防这种疾病的传播。这项研究不仅填补了上睑皮样瘤医学治疗方面的一个关键空白,还展示了人工智能在药物开发方面的变革潜力。利用人工智能药物设计服务,菲赛汀公司设计出了三种靶向 PTCH1 蛋白的高效全新治疗化合物。该方法包括从 NCBI 获取 PTCH1 蛋白序列,用 Expasy Protparam 计算理化参数,并用 SWISS-MODEL 估算三维结构。质量评估、结合位点预测、使用 WADDAICA 进行药物设计、利平斯基 5 项法则、毒性筛选、ADMET 评估、使用 CB-dock 和 Patch dock 进行对接分析,以及使用 IMOD 进行 MD 模拟,所有这些工作共同为开发和验证人工智能设计的表皮瘤植物化学药物提供了充分的依据。全面的药代动力学和毒性评估表明,人工智能设计的鱼腥草素在血脑屏障中具有出色的吸收能力,强调了其无毒性。人工智能设计的鱼腥草素与 PTCH1 蛋白的对接亲和力约为 -9.2 kcal/mol,显示了其作为药物的潜力。硅学研究结果表明其高效性和安全性,但要验证这些有前景的研究结果,还需要进行体内试验。这项研究提出了一种非侵入性的上睑皮样瘤解决方案,解决了目前的局限性,并为传统手术干预提供了潜在的替代方案,从而极大地推动了前沿知识的发展。
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引用次数: 0
Sprouted wheat flour for improving physical, chemical, rheological, microbial load, and quality properties of fino bread 发芽小麦粉用于改善菲诺面包的物理、化学、流变、微生物负载和质量特性
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-08 DOI: 10.1515/chem-2024-0030
Waleed Z. Badawy, Sati Y. Al-Dalain, Manal Abdelaziz, Alaa A. Elgabaly, Osama M. Morsy, Rokayya Sami, Garsa Alshehry, Huda Aljumayi, Eman Algarni, Suzan A. Abushal, Awatif M. Almehmadi, Ruqaiah I. Bedaiwi, Roqayah H. Kadi, Fadi Baakdah, Amani H. Aljahani, Mohamed K. Morsy
The aim of this work was to improve the quality parameters, functional properties, and sensory attributes of the fino bread using sprouted whole wheat flour (SWWF) at different levels, i.e., 3, 6, and 9%. Results demonstrated that SWWF has two-fold phenolic compounds and antioxidant ability compared to unsprouted wheat. The SWWF was found to be high in protein, minerals, and fat while low in carbohydrates compared to the control sample. Additionally, the microbial loads of SWWF were within processing-acceptable limits. Dough stability and rheological attributes of wheat with SWWF were evaluated to predict the texture of the final bread. There was a positive correlation between stability time and mixed dough and texture parameters of wheat bread with SWWF. The bread made using SWWF was high in protein content. The panelists accepted the bread up to 9% SWWF addition from a sensory perspective. The findings demonstrated that SWWF might be suggested for utilization as an enhancer, particularly up to 9% addition in the bread-making industry.
这项工作的目的是利用发芽全麦面粉(SWWF)在不同水平(即 3%、6% 和 9%)上改善菲诺面包的质量参数、功能特性和感官属性。结果表明,发芽全麦面粉的酚类化合物和抗氧化能力是未发芽小麦的两倍。与对照样本相比,SWWF 的蛋白质、矿物质和脂肪含量较高,而碳水化合物含量较低。此外,SWWF 的微生物含量也在加工可接受的范围内。对添加了 SWWF 的小麦的面团稳定性和流变属性进行了评估,以预测最终面包的质地。使用 SWWF 制作的小麦面包的稳定性时间与混合面团和质地参数之间存在正相关。使用 SWWF 制作的面包蛋白质含量较高。小组成员从感官角度接受了 SWWF 添加量不超过 9% 的面包。研究结果表明,可建议在面包制作业中将 SWWF 用作增味剂,尤其是添加量不超过 9% 的情况下。
{"title":"Sprouted wheat flour for improving physical, chemical, rheological, microbial load, and quality properties of fino bread","authors":"Waleed Z. Badawy, Sati Y. Al-Dalain, Manal Abdelaziz, Alaa A. Elgabaly, Osama M. Morsy, Rokayya Sami, Garsa Alshehry, Huda Aljumayi, Eman Algarni, Suzan A. Abushal, Awatif M. Almehmadi, Ruqaiah I. Bedaiwi, Roqayah H. Kadi, Fadi Baakdah, Amani H. Aljahani, Mohamed K. Morsy","doi":"10.1515/chem-2024-0030","DOIUrl":"https://doi.org/10.1515/chem-2024-0030","url":null,"abstract":"The aim of this work was to improve the quality parameters, functional properties, and sensory attributes of the fino bread using sprouted whole wheat flour (SWWF) at different levels, i.e., 3, 6, and 9%. Results demonstrated that SWWF has two-fold phenolic compounds and antioxidant ability compared to unsprouted wheat. The SWWF was found to be high in protein, minerals, and fat while low in carbohydrates compared to the control sample. Additionally, the microbial loads of SWWF were within processing-acceptable limits. Dough stability and rheological attributes of wheat with SWWF were evaluated to predict the texture of the final bread. There was a positive correlation between stability time and mixed dough and texture parameters of wheat bread with SWWF. The bread made using SWWF was high in protein content. The panelists accepted the bread up to 9% SWWF addition from a sensory perspective. The findings demonstrated that SWWF might be suggested for utilization as an enhancer, particularly up to 9% addition in the bread-making industry.","PeriodicalId":19520,"journal":{"name":"Open Chemistry","volume":"33 1","pages":""},"PeriodicalIF":2.3,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140929499","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
Photocatalytic treatment of organic dyes using metal oxides and nanocomposites: A quantitative study 利用金属氧化物和纳米复合材料对有机染料进行光催化处理:定量研究
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-07 DOI: 10.1515/chem-2024-0026
Yousaf Khan, Muhammad Naeem Khan, Abdul Salam, Haleema Sadia, Muhammad Farhat Ullah, Muhammad Ijaz Khan, Barno Sayfutdinovna Abdullaeva, Fuad A. Awwad, Emad A. A. Ismail
This comprehensive and quantitative research offers a thorough analysis of how metal oxides and nanocomposites are used in the photocatalytic treatment of organic dyes. It explores the challenges and opportunities of employing photocatalytic conversion technologies, discussing the optimal conditions for efficient degradation. The mechanisms of photocatalytic degradation are elucidated, highlighting the steps involved in transforming organic dyes into harmless by-products. Additionally, the article examines the factors that enhance the overall efficiency of photocatalytic conversion and compares its cost-effectiveness to other treatment methods. Various photocatalysts, with a focus on metal oxides and nanocomposites, are analyzed in terms of their advantages and limitations in degrading organic dyes. This article serves as a valuable resource for researchers and practitioners seeking sustainable and economical wastewater treatment solutions through efficient and eco-friendly photocatalytic approaches.
这项全面的定量研究深入分析了金属氧化物和纳米复合材料如何用于有机染料的光催化处理。它探讨了采用光催化转化技术的挑战和机遇,讨论了高效降解的最佳条件。文章阐明了光催化降解的机理,重点介绍了将有机染料转化为无害副产品的步骤。此外,文章还探讨了提高光催化转化整体效率的因素,并将其成本效益与其他处理方法进行了比较。文章以金属氧化物和纳米复合材料为重点,分析了各种光催化剂在降解有机染料方面的优势和局限性。这篇文章对于通过高效、环保的光催化方法寻求可持续、经济的废水处理解决方案的研究人员和从业人员来说,是一份宝贵的资料。
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引用次数: 0
Ultrasound induced biosynthesis of silver nanoparticles embedded into chitosan polymers: Investigation of its anti-cutaneous squamous cell carcinoma effects 超声诱导嵌入壳聚糖聚合物的银纳米粒子的生物合成:研究其抗皮肤鳞状细胞癌的效果
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-06 DOI: 10.1515/chem-2024-0018
Huiwen Zheng, Yin Li, Wei Li, Sha Zhou, Chunlan Huang, Lizhong Du
Here we have shown the novel biosynthesis of silver nanoparticles (Ag NPs) encapsulated by chitosan polymers in the presence of Achillea millefolium aqueous extract (Ag NPs@CHI). The Ag ions were first embedded over the chitosan surface enriched with polar organofunctions like amines (NH2) and hydroxyls, and subsequently the ions were reduced green-metrically by the electron rich phytochemicals of the plant extract. After the synthesis numerous techniques, including the UV-vis spectrum, transmission electron microscopy, FE-SEM, EDS-elemental mapping, and ICP-AES, were used to study the physicochemical characteristics of the nanocomposite biomaterial. Next, we explored the material biologically in the anti-cutaneous squamous cell carcinoma effects against the corresponding cell lines like PM1, MET1, MET 4, SCC T9, SCC IC1MET, SCC IC19, SCC T8, and SCC T11. The related IC50 values of the nanocomposite against them were 182, 158, 177, 178, 177, 99, 62, and 183 µg/mL, respectively. The cytotoxicity in terms of percentage cell viability of cancer cells were decreased with the increase in the nanocomposite doses.
在这里,我们展示了在蓍草水提取物(Ag NPs@CHI)存在下,壳聚糖聚合物封装银纳米粒子(Ag NPs)的新型生物合成方法。首先将银离子嵌入富含胺(NH2)和羟基等极性有机官能团的壳聚糖表面,然后利用植物提取物中富含电子的植物化学物质对银离子进行绿色计量还原。合成完成后,我们利用紫外-可见光谱、透射电子显微镜、FE-SEM、EDS 元素图谱和 ICP-AES 等多种技术研究了纳米复合生物材料的理化特性。接着,我们从生物学角度探讨了该材料对相应细胞系(如 PM1、MET1、MET 4、SCC T9、SCC IC1MET、SCC IC19、SCC T8 和 SCC T11)的抗皮肤鳞状细胞癌作用。纳米复合材料对它们的相关 IC50 值分别为 182、158、177、178、177、99、62 和 183 µg/mL。以癌细胞存活率百分比表示的细胞毒性随着纳米复合材料剂量的增加而降低。
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引用次数: 0
Hepatoprotective effects of safranal on acetaminophen-induced hepatotoxicity in rats 赛福那尔对乙酰氨基酚所致大鼠肝毒性的保护作用
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-06 DOI: 10.1515/chem-2024-0029
Naci Ömer Alayunt, Akif Evren Parlak, Semra Türkoğlu, Fatih Taş
This research aimed to explore the protective and therapeutic properties of safranal in mitigating inflammation and oxidative stress induced by elevated acetaminophen (APAP) doses in a rat model. The protective and therapeutic effects of safranal were determined by histopathologically and examining some biochemical parameters such as aspartate transaminase (AST), alanine transaminase (ALT), glutathione, glutathione peroxidase, catalase, malondialdehyde, interleukin-6, tumor necrosis factor-α, and interleukin-1β. Male Wistar–Albino rats were subject to random allocation, forming five groups, each comprising seven rats (n = 7) in the study. Group 1 was the control group. APAP was administered in Group 2 to induce hepatotoxicity. Rats in Groups 3, 4, and 5 received intraperitoneal injections of safranal at doses of 0.025, 0.05, and 0.1 mL/kg/day for 14 days, respectively. On the 15th day, to induce APAP-induced hepatotoxicity, four groups (Groups 2, 3, 4, and 5) acquired a single intraperitoneal injection of 600 mg/kg APAP. The presence of APAP-induced hepatotoxic effect was proven by elevated AST and ALT levels, which are typical biomarkers of liver function in addition to the demonstration of histopathological changes. The findings suggest that pre-treatment with safranal may offer a protective effect against hepatotoxicity by attenuating oxidative stress and the inflammatory response.
本研究旨在探索沙弗拉纳在减轻大鼠模型中因对乙酰氨基酚(APAP)剂量升高而诱发的炎症和氧化应激方面的保护和治疗特性。通过组织病理学和一些生化指标,如天门冬氨酸转氨酶(AST)、丙氨酸转氨酶(ALT)、谷胱甘肽、谷胱甘肽过氧化物酶、过氧化氢酶、丙二醛、白细胞介素-6、肿瘤坏死因子-α和白细胞介素-1β,来确定沙弗拉纳的保护和治疗作用。雄性 Wistar-Albino 大鼠被随机分配成 5 组,每组 7 只(n = 7)。第 1 组为对照组。第 2 组施用 APAP 诱导肝毒性。第 3、4 和 5 组的大鼠腹腔注射沙夫拉尔,剂量分别为 0.025、0.05 和 0.1 mL/kg/天,连续注射 14 天。第 15 天,为了诱导 APAP 引起的肝毒性,4 组(第 2、3、4 和 5 组)分别腹腔注射了 600 毫克/千克 APAP。除了组织病理学变化外,AST 和 ALT(肝功能的典型生物标志物)水平的升高也证明了 APAP 诱导的肝毒性效应的存在。研究结果表明,使用沙夫拉尔进行预处理可以减轻氧化应激和炎症反应,从而对肝毒性起到保护作用。
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引用次数: 0
Copper oxide nanoparticles-mediated Heliotropium bacciferum leaf extract: Antifungal activity and molecular docking assays against strawberry pathogens 氧化铜纳米颗粒介导的半枝莲叶提取物:针对草莓病原体的抗真菌活性和分子对接试验
IF 2.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-05-06 DOI: 10.1515/chem-2024-0028
Esraa Hamdy, Hamada El-Gendi, Abdulaziz Al-Askar, Ali El-Far, Przemysław Kowalczewski, Said Behiry, Ahmed Abdelkhalek
In the current study, Heliotropium bacciferum leaf extract was used to biosynthesize copper oxide nanoparticles (CuO-NPs). Various analytical techniques were used to characterize the produced CuO-NPs. Transmission electron microscope investigation indicated well-distributed spherical particles in various development phases. The particles’ diameters ranged from 22.15 to 37.01 nm, with an average of 24.8 ± 6.1 nm. Energy dispersive X-ray examination confirmed the presence of nanoscale Cu ions at a high concentration, as seen by the strong signal peak at 1 keV. Fourier transform infrared spectrum revealed various functional groups on the green-produced CuO-NPs, as evidenced by multiple absorption beaks. The bands found at 3,195 and 2,916 cm−1 revealed that phenolic and flavonoid compounds’ alcohols and alkanes were stretching C–H. Also, a band at 1,034 cm−1 is typically attributed to CuO production. CuO-NPs exhibited significant bioactivity against isolated and molecularly identified fungal strains, including Rhizoctonia solani (OR116528), Fusarium oxysporum (OR116508), and Botrytis cinerea (OR116491). Remarkably, the highest inhibition percentages were recorded at 100 µg/mL, with values 81.48, 71.11, and 50.74% for R. solani, F. oxysporum, and B. cinerea, respectively. Molecular docking interactions revealed that the highest binding affinity of CuO-NPs was −5.1 for the oxidoreductase of B. cinerea and −5.2 and −5.4 for the chitin synthase of R. solani and F. oxysporum, respectively. Consequentially, the biosynthesized CuO-NPs could be employed as antifungal biocontrol agents, as well as using H. bacciferum leaf extract for the synthesis of nanoparticles for various sustainable agricultural applications.
在当前的研究中,生物合成氧化铜纳米颗粒(CuO-NPs)的方法是使用黑升麻叶提取物。研究人员使用了多种分析技术对所制备的 CuO-NPs 进行表征。透射电子显微镜研究表明,不同发育阶段的球形颗粒分布均匀。颗粒直径在 22.15 至 37.01 nm 之间,平均直径为 24.8 ± 6.1 nm。能量色散 X 射线检查证实了高浓度纳米级铜离子的存在,从 1 keV 处的强信号峰可见一斑。傅立叶变换红外光谱显示了绿色 CuO-NPs 上的各种官能团,多个吸收峰证明了这一点。在 3 195 和 2 916 cm-1 处发现的波段显示,酚类和黄酮类化合物的醇和烷烃正在伸展 C-H。此外,1,034 cm-1 处的条带通常归因于 CuO 的生成。CuO-NPs 对分离和分子鉴定的真菌菌株具有显著的生物活性,包括根瘤菌(OR116528)、镰刀菌(OR116508)和灰霉病菌(OR116491)。值得注意的是,在 100 µg/mL 浓度下,对 R.solani、F. oxysporum 和 B. cinerea 的抑制率最高,分别为 81.48%、71.11% 和 50.74%。分子对接相互作用显示,CuO-NPs 与 B. cinerea 的氧化还原酶的最高结合亲和力为-5.1,与 R. solani 和 F. oxysporum 的几丁质合成酶的结合亲和力分别为-5.2 和-5.4。因此,生物合成的 CuO-NPs 可用作抗真菌生物控制剂,也可利用 H. bacciferum 叶提取物合成纳米粒子,用于各种可持续农业应用。
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引用次数: 0
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Open Chemistry
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