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Development of a heterogeneous brønsted acid catalyst from rice husks: Structural characterization and catalytic application in benzimidazole synthesis 稻壳非均相溴氮酸催化剂的研制:结构表征及其在苯并咪唑合成中的应用
Pub Date : 2026-03-01 Epub Date: 2025-12-24 DOI: 10.1016/j.scowo.2025.100173
Baraa Ahmad Neama, Hayder Hamied Mihsen, Haitham Dalol Hanoon
Brønsted acidic ionic liquid ([MCM-41-(PSim)][H2PO4]) was synthesized as a heterogeneous catalyst derived from rice husks. The catalyst underwent characterization and analysis through Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), nitrogen adsorption-desorption analysis, thermogravimetric analysis (TGA/DTG), and scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS). The newly developed catalyst was utilised in the reaction of o-phenylenediamine with various aldehydes under two distinct conditions: ultrasonic irradiation and reflux. All benzimidazole derivatives produced in this study were identified through melting point analysis, FTIR, 1H NMR, and mass spectrometry.
以稻壳为原料合成了Brønsted酸性离子液体[MCM-41-(PSim)][H2PO4]。通过傅里叶变换红外光谱(FTIR)、x射线衍射(XRD)、氮吸附-解吸分析、热重分析(TGA/DTG)和扫描电子显微镜(SEM-EDS)对催化剂进行了表征和分析。在超声辐照和回流两种不同条件下,将该催化剂用于邻苯二胺与多种醛的反应。本研究中产生的所有苯并咪唑衍生物均通过熔点分析、FTIR、1H NMR和质谱进行鉴定。
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引用次数: 0
Role of nanomaterials in dye removal with applications of various machine learning and statistical optimization tools for enhancing adsorption 纳米材料在染料去除中的作用,应用各种机器学习和统计优化工具来增强吸附
Pub Date : 2026-03-01 Epub Date: 2026-01-24 DOI: 10.1016/j.scowo.2026.100193
Nisha Loura , Kavita Rathee , Manvender Singh , Vikas Dhull
The widespread release of synthetic dyes from the textile industry poses a serious environmental threat, but current wastewater treatment methods frequently lack sustainability, efficiency, and selectivity. Considering their high surface area, surface functionalization potential, and superior adsorption capabilities, nanomaterials have been extensively studied for dye removal; yet, the existing research is still dispersed, primarily concentrating on isolated modeling techniques or experimental adsorption performance. For the advancement of predictive optimization and mechanistic assessment, there is a prominent research gap in the systematic integration of modern computational, machine learning, and molecular modeling techniques with nanomaterial-based dye removal. In addition to machine learning techniques like artificial neural networks, support vector machines, decision trees, gradient boosting, adaptive neuro-fuzzy inference systems, and hybrid optimization frameworks, response surface methodology is discussed. By thoroughly summarizing current developments at the interface of nanotechnology, data-driven modeling, and molecular-level simulations for textile dye remediation, this review addresses this problem. Although findings of high predicted accuracies of R2 > 0.99 are frequently reported, this review also draws attention to issues with model interpretability, data quality, overfitting, and emphasizing the significance of suitable validation techniques such as k-fold cross-validation and external datasets. Adsorption energetics, binding affinities, and surface interactions at the atomic scale are investigated by molecular docking and molecular dynamics simulations. Environmental effect, process scalability, and adsorbent regeneration are also taken into consideration. This review offers an insightful framework for rational nanomaterial design, data-assisted decision-making, and the creation of effective and sustainable methods for eliminating dyes by integrating process optimization with molecular-level insights.
纺织工业中合成染料的广泛释放对环境造成了严重的威胁,但目前的废水处理方法往往缺乏可持续性、效率和选择性。考虑到纳米材料的高表面积、表面功能化潜力和优异的吸附能力,纳米材料在染料去除方面得到了广泛的研究;然而,现有的研究仍然分散,主要集中在分离建模技术或实验吸附性能上。为了推进预测优化和机理评估,在现代计算、机器学习和分子建模技术与纳米材料基染料去除的系统集成方面存在突出的研究空白。除了人工神经网络、支持向量机、决策树、梯度增强、自适应神经模糊推理系统和混合优化框架等机器学习技术外,还讨论了响应面方法。本文通过全面总结纳米技术、数据驱动建模和分子水平模拟在纺织染料修复方面的最新进展,解决了这一问题。虽然经常报道R2 >; 0.99的高预测精度的发现,但这篇综述也引起了对模型可解释性、数据质量、过拟合等问题的关注,并强调了合适的验证技术(如k-fold交叉验证和外部数据集)的重要性。通过分子对接和分子动力学模拟研究了原子尺度上的吸附能量、结合亲和和表面相互作用。还考虑了环境影响、工艺可扩展性和吸附剂再生。这篇综述为合理的纳米材料设计、数据辅助决策,以及通过将工艺优化与分子水平的见解相结合,创造有效和可持续的去除染料的方法提供了一个有见地的框架。
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引用次数: 0
Antimicrobial properties of green synthesized silver nanoparticles from Diplazium maximum (D. Don) C. Chr. 绿色合成纳米银的抗菌性能[D. Don, C. Chr]。
Pub Date : 2026-03-01 Epub Date: 2025-12-01 DOI: 10.1016/j.scowo.2025.100157
Purnima Sharma , Pardeep Kumar , Arvind Kumar Bhatt
Diplazium maximum is a wild edible fern species rich in different bioactive compounds (polypeptides, flavonoids, phenolics, alkaloids, saponins, steroids, tannins, and glycosides), and has been used by local healers for treating several ailments. For the first time, the antimicrobial activity of silver nanoparticles derived from this species was assessed scientifically in vitro, which were further characterized following UV-Visible Spectroscopy, X-Ray Diffraction, Atomic Force Microscopy, Fourier Transform Infrared Spectroscopy, Field Emission Scanning Electron Microscopy, and High-Resolution Transmission Electron Microscopy. These studies confirmed synthesis of quasi-spherical shaped nanoparticles with average size of 17.0 ± 7.85 nm which were most effective against Pseudomonas aeruginosa (13.83 ± 0.29 mm) followed by Bacillus cereus (12.25 ± 0.55 mm) at 180 µl (agar well diffusion assay). While they were most inhibitory against B. cereus and Aspergillus niger (Minimum Inhibitory Concentration: 0.0781 mg/100 µl) than crude extract. Hence, with nano-technological interventions, D. maximum antimicrobial efficacy can be enhanced, and also this species serves as a strong candidate for future herbal drug development, which are not only efficient but also eco-friendly.
大双吡嗪是一种野生可食用蕨类植物,富含不同的生物活性化合物(多肽、类黄酮、酚类物质、生物碱、皂苷、类固醇、单宁和苷),已被当地治疗师用于治疗多种疾病。首次在体外科学评估了该物种衍生的银纳米颗粒的抗菌活性,并利用紫外可见光谱、x射线衍射、原子力显微镜、傅里叶变换红外光谱、场发射扫描电镜和高分辨率透射电镜对其进行了进一步的表征。这些研究证实了合成quasi-spherical形状的纳米颗粒平均尺寸为17.0 ±7.85  海里是最有效的对铜绿假单胞菌(13.83 ±0.29  毫米)其次是蜡样芽胞杆菌(12.25 ±0.55  毫米)在180 µl(琼脂扩散试验)。对蜡样芽孢杆菌和黑曲霉的抑制作用最强(最低抑制浓度为0.0781 mg/100 µl)。因此,通过纳米技术的干预,可以提高D.的抗菌效果,并且该物种是未来草药开发的有力候选物种,不仅高效而且环保。
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引用次数: 0
Electrocoagulation using scrap aluminium electrodes for Reactive Black 5 removal from aqueous media: Process modelling and techno-economic evaluation 用废铝电极电凝去除水介质中的活性黑5:过程建模和技术经济评价
Pub Date : 2026-03-01 Epub Date: 2026-02-23 DOI: 10.1016/j.scowo.2026.100202
Madhusmita Behera, Akshaya Kumar Verma
Textile wastewater containing residual reactive azo dyes is one of the most prevalent sources of environmental pollution due to their readily soluble characteristics. Such dyes are used in textile industries by dyeing and printing the cotton, wool and nylon fibres. In the present study, feasibility of using scrap aluminium sheets as electrodes in electrocoagulation (EC) for the removal of reactive azo dye (Reactive Black 5) from aqueous solution was investigated. A monopolar-parallel EC reactor was developed, and Response Surface Methodology (RSM) was applied to optimise key operating parameters, namely pH, applied voltage, supporting electrolyte concentration, inter-electrode distance, and electrolysis time. Process optimization identified the optimal EC conditions (pH 4, voltage 15 V, electrolyte concentration 0.50 g/L, electrolysis time 25 min, and inter electrode distance 2 cm), resulting a maximum 97 % dye removal from the aqueous sources, ensuring virtually colourless effluent. The estimated cost of operating the electrocoagulation system was $ 0.20/m3 of treated water and $ 2.00/kg of dye removed, demonstrating that the electrocoagulation process can economically treat textile wastewater. Present work not only emphasised the valorisation of scrap aluminium waste for removal of readily soluble di-azo textile dye under statistically derived optimisation but also a value added metal waste management including cost-effective strategy.
含活性偶氮染料残留的纺织废水因其易溶解的特性而成为最普遍的环境污染源之一。这种染料用于纺织工业,对棉花、羊毛和尼龙纤维进行染色和印花。本文研究了用废铝片作为电絮凝(EC)电极去除水中活性偶氮染料(活性黑5)的可行性。开发了单极-并联EC反应器,并应用响应面法(RSM)优化了关键操作参数,即pH、施加电压、支撑电解质浓度、电极间距离和电解时间。工艺优化确定了最佳EC条件(pH值4,电压15 V,电解质浓度0.50 g/L,电解时间25 min,电极间距离2 cm),从水源中获得最大97 %的染料去除率,确保废水几乎无色。电混凝系统的运行成本为0.20美元/立方米,去除染料的成本为2.00美元/公斤,表明电混凝工艺可以经济地处理纺织废水。目前的工作不仅强调了在统计推导的优化下废铝废物去除易溶双偶氮纺织染料的价值,而且还强调了包括成本效益战略在内的增值金属废物管理。
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引用次数: 0
Vacuum fractional distillation of essential oils: Enrichment and purification of bioactive constituents 精油的真空分馏:生物活性成分的富集和纯化
Pub Date : 2026-03-01 Epub Date: 2026-01-01 DOI: 10.1016/j.scowo.2025.100179
Dinh-Nhat Do , Xuan-Tien Le
Vacuum fractional distillation (VFD) is an efficient and environmentally friendly method for the separation and purification of thermally unstable and oxidizable bioactive compounds from essential oils through a virtually solvent-free process. This review highlights the importance of essential oil fractionation to meet the growing demands in the fragrance, cosmetic, food, and pharmaceutical industries. Fundamental principles and thermodynamics are summarized alongside VFD modeling, enabling prediction of phase behavior, column performance, hydrodynamics, and residence times, while reducing development time and scale-up risk. Published simulation and experimental studies are synthesized to define key influencing factors and practical operating windows for VFD performance. In addition, the review also identifies persistent data gaps, including non-standardized reporting practices, limited vacuum vapor-liquid equilibrium (VLE) data for key binary systems, and insufficient pilot-scale studies, which currently constrain reproducible research transfer and broader industrial implementation.
真空分馏(VFD)是一种高效、环保的方法,通过几乎无溶剂的过程从精油中分离和纯化热不稳定和可氧化的生物活性化合物。本文综述了精油分馏技术的重要性,以满足香料、化妆品、食品和制药行业日益增长的需求。基本原理和热力学与VFD建模一起总结,可以预测相行为,柱性能,流体动力学和停留时间,同时减少开发时间和扩大风险。综合已发表的仿真和实验研究,确定了VFD性能的关键影响因素和实际操作窗口。此外,审查还发现了持续存在的数据差距,包括非标准化的报告实践,关键二元系统的真空气液平衡(VLE)数据有限,以及中试规模研究不足,这些目前限制了可重复的研究转移和更广泛的工业实施。
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引用次数: 0
Green synthesis of silver nanoparticles using Pisonia alba and toxicity assessment against Spodoptera litura across developmental stages 绿色合成纳米银的研究及其对斜纹夜蛾的毒性评价
Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.scowo.2026.100197
Kailash R , Jelin Vilvest , Alex Yagoo , Kunguma Kannika M , Mariya Vaishnika A , Madasamy Muthupandy
This study reports the green synthesis of silver nanoparticles (AgNPs) using Pisonia alba leaf extract and their insecticidal evaluation against the polyphagous pest Spodoptera litura. Conventional pesticides, though effective, cause environmental pollution, resistance, and non-target toxicity, whereas green-synthesized nanoparticles provide a sustainable alternative. AgNPs were synthesized using aqueous leaf extracts of P. alba, acting as reducing and capping agents. The formation of nanoparticles was confirmed by a color change and characterized by UV–visible spectroscopy (surface plasmon resonance peak at ∼420 nm) and X-ray diffraction (face-centered cubic crystalline structure with minor silver oxide phases). SEM revealed predominantly spherical nanoparticles capped with plant residues. Bioassays on eggs, larvae, and pupae of S. litura (62.5–1000 ppm) showed strong insecticidal efficacy. Ovicidal tests resulted in complete egg mortality with LC₅₀ and LC₉₀ values of 1.0 ppm and 3.20 ppm, respectively. Larvicidal assays recorded LC₅₀ at 96.36 ppm and LC₉₀ at 442.28 ppm, while pupicidal tests revealed LC₅₀ at 54.07 ppm and IC₉₀ at 238.86 ppm. These findings highlight the potent insecticidal action of P. alba-mediated AgNPs and support their application as eco-friendly nanobiopesticides in integrated pest management.
本文报道了用白葡萄叶提取物绿色合成银纳米粒子(AgNPs)及其对斜纹夜蛾(Spodoptera litura)的杀虫效果评价。传统的农药虽然有效,但会造成环境污染、抗药性和非靶向毒性,而绿色合成的纳米颗粒提供了可持续的替代品。以白杨叶片水提物为原料合成AgNPs,作为还原剂和封盖剂。通过颜色变化证实了纳米颗粒的形成,并通过紫外可见光谱(表面等离子体共振峰在~ 420 nm)和x射线衍射(具有少量氧化银相的面心立方晶体结构)进行了表征。扫描电镜显示,主要是球形纳米颗粒覆盖有植物残留物。对斜纹夜蛾卵、幼虫和蛹(62.5 ~ 1000 ppm)的生物测定结果表明,其杀虫效果较好。杀卵试验导致鸡蛋完全死亡,LC₅₀和LC₉₀值分别为1.0 ppm和3.20 ppm。杀幼虫试验记录了LC₅₀为96.36 ppm和LC₉₀为442.28 ppm,而杀菌试验显示LC₅₀为54.07 ppm和IC₉₀为238.86 ppm。这些发现强调了P. alba介导的AgNPs的有效杀虫作用,并支持其作为生态友好型纳米农药在害虫综合治理中的应用。
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引用次数: 0
Advances in cobalt-based nanomaterials for wastewater treatment: Mechanistic insights and future directions 用于废水处理的钴基纳米材料的进展:机理见解和未来方向
Pub Date : 2026-03-01 Epub Date: 2026-02-18 DOI: 10.1016/j.scowo.2026.100201
V. Divya , K. Anbarasu , A. Saravanan , V.C. Deivayanai
The effectiveness of cobalt nanoparticles (CoNPs) in eliminating contaminants such as dyes, heavy metals, and bacteria resistant to antibiotics is highlighted in this review, which also examines the synthesis techniques and uses of CoNPs in wastewater treatment. Water quality has been greatly impacted by the toxic pollutants that have been released into aquatic ecosystems as a result of rapid industrialization. Traditional methods of treatment, like chemical reactions and membrane filtration, are frequently expensive, energy-intensive, and produce secondary waste. Because of their high surface area, reactivity, and adsorption capabilities, CoNPs offer a sustainable replacement that effectively binds and breaks down pollutants. It emphasizes their use in tannery wastewater treatment, hybrid filtration systems, and advanced oxidation processes. Furthermore, CoNPs' potential to target bacteria that are resistant to antibiotics is being studied more and more. This review highlights the drawbacks of conventional techniques and presents CoNPs as an adaptable and effective method to address environmental issues in water treatment, opening the door for further advancements in this area.
本文重点介绍了钴纳米颗粒(CoNPs)在去除染料、重金属和耐抗生素细菌等污染物方面的有效性,并对其合成技术和在废水处理中的应用进行了综述。由于快速工业化,有毒污染物被释放到水生生态系统中,对水质造成了很大的影响。传统的处理方法,如化学反应和膜过滤,往往是昂贵的,能源密集型的,并产生二次废物。由于其高表面积、反应性和吸附能力,conp提供了一种可持续的替代品,可以有效地结合和分解污染物。它强调了它们在制革厂废水处理、混合过滤系统和高级氧化过程中的应用。此外,人们对CoNPs靶向抗生素耐药细菌的潜力进行了越来越多的研究。这篇综述强调了传统技术的缺点,并提出了CoNPs作为一种适应性强且有效的方法来解决水处理中的环境问题,为该领域的进一步发展打开了大门。
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引用次数: 0
Advancing sustainable hydrogen: Technological, environmental, and policy perspectives for the global energy transition 推进可持续氢能:全球能源转型的技术、环境和政策视角
Pub Date : 2026-03-01 Epub Date: 2026-01-18 DOI: 10.1016/j.scowo.2026.100191
Utkarsh Sharma, Anita Singh Kirrolia, Narsi R. Bishnoi
To meet the 1.5°C climate targets, the global energy transition requires a versatile carrier to decarbonize "hard-to-abate" sectors (steel, cement, and heavy transport). While hydrogen is a leading candidate, existing literature often treats technological, environmental, and policy dimensions in isolation, creating a fragmented understanding of its true sustainability. This review employs a systematic analysis of over 250 peer-reviewed sources and international policy frameworks (2015–2025) to synthesize production pathways ranging from thermochemical (SMR, gasification) to electrochemical and biological methods. Evaluation is conducted through a multi-dimensional lens focusing on Carbon Intensity (CI), Circular Economy (CE) metrics, and alignment with UN Sustainable Development Goals (SDGs 7, 9, and 13). Our findings demonstrate that while green hydrogen offers near-zero operational emissions, its lifecycle sustainability is contingent upon "Green Chemistry" innovations in membrane materials and catalysts to reduce rare-earth mineral dependency. Comparative analysis reveals that "Blue" hydrogen acts only as a bridge, as its long-term viability is limited by methane leakage and carbon capture efficiencies (<90%). Furthermore, we identify a critical "policy-technology" gap: current global frameworks lack standardized lifecycle assessment (LCA) protocols, which hinders international trade and sustainable finance. This review contributes a novel integrated framework that bridges the gap between laboratory-scale innovations and macro-level policy. We conclude that achieving a net-zero future requires not just "clean" production, but a circular hydrogen economy that prioritizes material recovery and harmonized global certification standards.
为了实现1.5°C的气候目标,全球能源转型需要一种多功能载体来使“难以减排”的行业(钢铁、水泥和重型运输)脱碳。虽然氢是主要的候选者,但现有文献往往将技术、环境和政策维度孤立地对待,从而对其真正的可持续性产生了支离破碎的理解。本综述系统分析了250多个同行评审资料和国际政策框架(2015-2025),综合了从热化学(SMR、气化)到电化学和生物方法的生产途径。评估通过多维视角进行,重点关注碳强度(CI)、循环经济(CE)指标,并与联合国可持续发展目标(可持续发展目标7、9和13)保持一致。我们的研究结果表明,虽然绿色氢提供了接近零的运行排放,但其生命周期的可持续性取决于膜材料和催化剂的“绿色化学”创新,以减少对稀土矿物的依赖。对比分析表明,“蓝色”氢只是一座桥梁,因为其长期可行性受到甲烷泄漏和碳捕获效率(<90%)的限制。此外,我们还发现了一个关键的“政策-技术”差距:目前的全球框架缺乏标准化的生命周期评估(LCA)协议,这阻碍了国际贸易和可持续融资。本综述提供了一个新的综合框架,弥合了实验室规模创新与宏观层面政策之间的差距。我们的结论是,实现净零未来不仅需要“清洁”生产,还需要循环氢经济,优先考虑材料回收和协调全球认证标准。
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引用次数: 0
Sustainable fabrication of starch/PVA/CuO electrospun nanoscaffolds from Padina tetrastromatica (Brown macroalgae) extract: Physicochemical characterization and antidiabetic assessment 棕藻提取物制备淀粉/PVA/CuO静电纺丝纳米支架:理化性质和抗糖尿病评价
Pub Date : 2026-03-01 Epub Date: 2026-01-31 DOI: 10.1016/j.scowo.2026.100195
JinJin Pei , Saravana Ganesh N. , Suresh Subramaniyam , Sivaramakrishnan R. , Gopalakrishnan Velliyur Kanniappan , Selvaraj Jayaraman , Chella Perumal Palanisamy
This study explores the green synthesis and characterization of copper oxide nanoparticles (CuO-NPs) using Padina tetrastromatica algal extract and their incorporation into starch/PVA nanoscaffolds for enhanced antidiabetic applications. The CuO-NPs were characterized using UV-Visible spectroscopy, showing a distinct surface plasmon resonance peak at 273 nm, while Fourier-transform infrared spectroscopy confirmed characteristic Cu-O bonds at 602.84 cm−1 and 433.39 cm−1. X-ray diffraction analysis revealed the monoclinic tenorite phase of CuO-NPs with high crystallinity, whereas the nanoscaffolds exhibited a semi-crystalline structure. scanning electron microscopy imaging demonstrated uniform NP dispersion within the porous, fibrous scaffold matrix. Thermogravimetric analysis indicated thermal stability up to 300°C, and Dynamic light scattering analysis showed NPs with 108 nm average size and moderate colloidal stability (-22.13 mV). The nanocomposites exhibited remarkable concentration-dependent inhibition of α-amylase (80.42 % at 100 µg/mL) and α-glucosidase (79.32 % at 100 µg/mL), significantly outperforming individual components. The enhanced antidiabetic activity is attributed to synergistic interactions between CuO NPs and the polymeric nanoscaffold architecture, which may influence nanoparticle stabilization and enzyme-material interactions. The results highlight the potential of these eco-friendly nanoscaffolds as effective platforms for diabetes management, combining the therapeutic benefits of algal extracts with nanotechnology. Further in vivo studies are warranted to validate their clinical potential.
本研究探讨了利用四星形藻提取物绿色合成和表征氧化铜纳米颗粒(CuO-NPs),并将其掺入淀粉/PVA纳米支架中,以增强抗糖尿病应用。利用紫外可见光谱对CuO-NPs进行了表征,在273 nm处显示出明显的表面等离子体共振峰,而傅里叶变换红外光谱在602.84 cm−1和433.39 cm−1处证实了特征的Cu-O键。x射线衍射分析表明,纳米支架呈半晶结构,而纳米支架为单斜尖晶石相,结晶度高。扫描电镜成像显示多孔纤维支架基质内均匀的NP分散。热重分析表明NPs的热稳定性可达300℃,动态光散射分析表明NPs的平均尺寸为108 nm,胶体稳定性中等(-22.13 mV)。纳米复合材料对α-淀粉酶(100 µg/mL时为80.42 %)和α-葡萄糖苷酶(100 µg/mL时为79.32 %)的抑制作用呈浓度依赖性,显著优于单个组分。这种增强的抗糖尿病活性归因于CuO NPs与聚合物纳米支架结构之间的协同相互作用,这可能影响纳米颗粒的稳定性和酶-物质的相互作用。这些结果强调了这些生态友好的纳米支架作为糖尿病管理的有效平台的潜力,将藻类提取物的治疗益处与纳米技术相结合。需要进一步的体内研究来验证它们的临床潜力。
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引用次数: 0
Integrated experimental–theoretical analysis of aluminum corrosion inhibition by ipomoea carnea leaf extract 甘薯叶提取物缓蚀铝的实验-理论综合分析
Pub Date : 2026-03-01 Epub Date: 2026-01-06 DOI: 10.1016/j.scowo.2026.100182
Adarsh M. Patel , K.C. Desai , R.T. Vashi , P.S. Desai
An ethanolic extract of Ipomoea carnea (ICLE) leaves was systematically characterised through advanced spectroscopic methods and assessed for its efficacy as a green corrosion inhibitor for aluminium in 0.2–0.4 M HCl solution. The anti-corrosive behaviour of ICLE was scrutinised using diverse analytical techniques, including gravimetric analysis, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), atomic force microscopy (AFM), scanning electron microscopy coupled with energy dispersive X-ray spectroscopy (SEM/EDS), and computational modelling such as quantum chemical calculations and MD simulations. ICLE achieved an impressive 96.7 % inhibition rate at 2.0 g/L and 303 K in weight-loss trials, demonstrating potent surface protection at a minimum concentration. EIS data revealed a marked increase in the surface charge-transfer resistance (Rct = 5233.2 Ω·cm²) and a decrease in double-layer capacitance, suggesting the formation of a robust adsorbed passive film. PDP analysis revealed a dual-action inhibition mechanism, which inhibits both anodic and cathodic processes. The overall inhibition efficiency was 93.02 %. Surface morphology studies confirmed the deposition of ICLE molecules, forming a uniform hydrophobic shield. The adsorption behaviour is consistent with the Langmuir model, suggesting single-layer coverage. Compared to other botanical inhibitors, ICLE performed better under harsh, thermally elevated conditions. DFT calculations highlighted that all five molecules derived from the extract are highly reactive species due to their low energy gaps, which is consistent with their nucleophilic character and tendency to donate electrons to the metal surface. Fukui function analysis pinpointed oxygen-bearing groups as key adsorption sites. MD simulations validated the structural integrity of the adsorbed layer.
通过先进的光谱方法系统地表征了Ipomoea carnea (ICLE)叶片的乙醇提取物,并评估了其在0.2-0.4 M HCl溶液中作为铝的绿色缓蚀剂的功效。利用各种分析技术,包括重量分析、电化学阻抗谱(EIS)、动电位极化(PDP)、原子力显微镜(AFM)、扫描电子显微镜和能量色散x射线光谱(SEM/EDS),以及量子化学计算和MD模拟等计算模型,仔细检查了ICLE的防腐行为。在减肥试验中,在2.0 g/L和303 K条件下,ICLE的抑制率达到了令人印象深刻的96.7 %,证明了在最低浓度下的有效表面保护。EIS数据显示,表面电荷转移电阻显著增加(Rct = 5233.2 Ω·cm²),双层电容显著减小,表明形成了坚固的吸附钝化膜。PDP分析揭示了双作用抑制机制,同时抑制阳极和阴极过程。总抑菌率为93.02 %。表面形貌研究证实了ICLE分子的沉积,形成了均匀的疏水屏蔽。吸附行为与Langmuir模型一致,表明单层覆盖。与其他植物抑制剂相比,ICLE在苛刻的高温条件下表现更好。DFT计算强调,由于萃取物的低能隙,这五种分子都是高活性物质,这与它们的亲核特性和向金属表面提供电子的倾向是一致的。福井功能分析指出含氧基团是关键的吸附位点。MD模拟验证了吸附层的结构完整性。
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Sustainable Chemistry One World
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