环境科学与生态学最新文献

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Underrecognized three-carbon chlorinated aliphatic hydrocarbons: Occurrence, regulation, and treatment strategies 未被充分认识的三碳氯化脂肪烃:发生、调节和处理策略
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-18 DOI: 10.1080/10643389.2025.2484889
Maria Jose Jimenez Vizcarra, Zhiqian Han, Peng Gao, Meng Wang
{"title":"Underrecognized three-carbon chlorinated aliphatic hydrocarbons: Occurrence, regulation, and treatment strategies","authors":"Maria Jose Jimenez Vizcarra, Zhiqian Han, Peng Gao, Meng Wang","doi":"10.1080/10643389.2025.2484889","DOIUrl":"https://doi.org/10.1080/10643389.2025.2484889","url":null,"abstract":"Three-carbon chlorinated aliphatic hydrocarbons (3C-CAHs) are a group of contaminants widely used in various industrial processes. Despite their frequent occurrence in diverse environmental matrices and established toxicity, these compounds receive much less attention compared to their shorter-chain counterparts such as trichloroethylene and dichloroethylene, leading to significant gaps in regulations and knowledge about their contamination levels and treatment approaches. This review aims to address these notable research gaps on 3C-CAHs, exploring their use, discharge, occurrence, fate, and transport across environmental matrices. By comparing them with one- and two-carbon CAHs, we highlight the unique properties and toxicity profiles of 3C-CAHs. Furthermore, we discuss state-of-the-art treatment techniques for 3C-CAHs, focusing on adsorption, chemical treatment, and biodegradation, and identify respective advantages and limitations. We also summarize regulations at state and federal levels in the U.S. and globally, underscoring the inadequacy of existing regulations for many 3C-CAH compounds. Lastly, we propose future research needs to further advance our understanding of the current contamination status of 3C-CAHs and to promote the development of sustainable and effective treatment methods for mitigating their environmental impacts. Overall, through this review, we aim to raise awareness and stimulate discussion on the importance of addressing 3C-CAHs in environmental management strategies.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"45 1","pages":"1047-1069"},"PeriodicalIF":12.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144237834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pretreatments of lignocellulosic biomass for biohydrogen biorefinery: Recent progress, techno-economic feasibility and prospectives 木质纤维素生物质用于生物制氢的预处理:最新进展、技术经济可行性和前景
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-18 DOI: 10.1080/10643389.2025.2484892
Zi-Tong Zhao, Jie Ding, Ji-Wei Pang, Mei-Yi Bao, Geng Luo, Bo-Yuan Wang, Bing-Feng Liu, Lu-Yan Zhang, Nan-Qi Ren, Shan-Shan Yang
{"title":"Pretreatments of lignocellulosic biomass for biohydrogen biorefinery: Recent progress, techno-economic feasibility and prospectives","authors":"Zi-Tong Zhao, Jie Ding, Ji-Wei Pang, Mei-Yi Bao, Geng Luo, Bo-Yuan Wang, Bing-Feng Liu, Lu-Yan Zhang, Nan-Qi Ren, Shan-Shan Yang","doi":"10.1080/10643389.2025.2484892","DOIUrl":"https://doi.org/10.1080/10643389.2025.2484892","url":null,"abstract":"Dark fermentation (DF) of lignocellulosic biomass (LB) is expected to play a critical role in building a green hydrogen supply chain toward the carbon-neutral society. Due to its inherent recalcitrance, biomass demands pretreatment to increase its digestibility. Various pretreatment techniques have been extensively investigated to improve the digestibility of feedstocks. However, no systematic review of pretreatment to promote biohydrogen fermentation has been conducted. Besides, studies analyzing the economic feasibility of pretreatment technologies are lacking. The aim of this review is to analyze the current pretreatment techniques and research results based on different driving forces. Intense thermochemical pretreatment dissolves lignin and hemicellulose and forms various inhibitors that interfere with the physiological and metabolic functions of the microbiota. Moreover, the issues related to the detoxification methods of inhibitors and their impacts on biomass fermentation were highlighted. The possibility of bioaugmentation of hydrogen-producing microflora with genetically engineered or naturally resistant bacteria may serve to be an effective <i>in situ</i> detoxification protocol. Moreover, the recycling techniques related to pretreatment were also discussed. Black liquor is a huge carbon reservoir with great potential to produce products such as biohydrogen and the value-added products generated will help reduce the environmental degradation caused by black liquor. Furthermore, the technical and economic viability of the current pretreatment methods and the prospects were also discussed. Increased costs related with buffering, reduced productivity and energy efficacy are critical factors contributing to the costs of bio-H<sub>2</sub> production. For every 20% increase in H<sub>2</sub> yield, production costs are decreased by 8%.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"25 1","pages":"1070-1096"},"PeriodicalIF":12.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144237873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Peracetic acid-driven advanced oxidation processes for wastewater treatment: Demystifying organic radicals and non-radical species 废水处理中过氧乙酸驱动的高级氧化工艺:揭开有机自由基和非自由基的神秘面纱
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-18 DOI: 10.1080/10643389.2025.2495637
Guanglei Yao, Xuefei Zhou, Haiping Gao, Tongcai Liu, Yalei Zhang, Jiabin Chen
{"title":"Peracetic acid-driven advanced oxidation processes for wastewater treatment: Demystifying organic radicals and non-radical species","authors":"Guanglei Yao, Xuefei Zhou, Haiping Gao, Tongcai Liu, Yalei Zhang, Jiabin Chen","doi":"10.1080/10643389.2025.2495637","DOIUrl":"https://doi.org/10.1080/10643389.2025.2495637","url":null,"abstract":"Peracetic acid (PAA) based advanced oxidation processes (AOPs) have received increasing attention in wastewater treatment. However, it is challenging to identify the radical and/or non-radical species and elucidate the intrinsic interaction mechanisms involved in PAA-based AOPs. This work presents a systematic review of the selective generation mechanisms of radicals (hydroxyl and organic radicals), with a focus on organic radicals, and non-radical species (reactive complexes (RC), high-valent metals (HVM), singlet oxygen (<sup>1</sup>O<sub>2</sub>), and electron transfer process (ETP)). Furthermore, we examine various strategies for the precise identification and characterization of radical and/or non-radical species (e.g., quenching, chemical probes, spectroscopy, mass spectrometry, and electrochemical testing), and emphasize existing controversies. Subsequently, we provide an in-depth discussion of the reaction mechanisms between the reactive species and the contaminants/water matrices, as well as the potential for generating halogenated byproducts. Finally, we highlight the challenges and opportunities of the PAA-based AOPs in wastewater treatment, aiming to inspire future research endeavors that promote the practical application of PAA-based AOPs in wastewater treatment.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"4 1","pages":"1124-1147"},"PeriodicalIF":12.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144252298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent advances in layered double hydroxides for pharmaceutical wastewater treatment: A critical review 层状双氢氧化物在制药废水处理中的最新进展
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-18 DOI: 10.1080/10643389.2025.2488808
Yexiang Chen, Haihua Xu, M. Shahnawaz Khan, Shiqi Han, Sidi Zhu
{"title":"Recent advances in layered double hydroxides for pharmaceutical wastewater treatment: A critical review","authors":"Yexiang Chen, Haihua Xu, M. Shahnawaz Khan, Shiqi Han, Sidi Zhu","doi":"10.1080/10643389.2025.2488808","DOIUrl":"https://doi.org/10.1080/10643389.2025.2488808","url":null,"abstract":"In recent decades, pharmaceuticals, lauded for saving millions of lives, have surfaced as a new class of environmental contaminants. These compounds, originating primarily from hospital and industrial settings, often resist traditional treatment technologies and can persist in the environment for extended periods. The scarcity of water resources underscores the urgent need for innovative strategies for the effective management of pharmaceutical wastewater. Recently, layered double hydroxides (LDHs) have garnered considerable attention for their application in the remediation of pharmaceutical wastewater. This review explores the recent advancements in LDH-based adsorbents and membranes for pharmaceutical wastewater treatment. LDHs demonstrate superior adsorption capabilities due to their intercalation properties and structural versatility, effectively removing pharmaceutical contaminants such as antibiotics and anti-inflammatory drugs. Moreover, LDH-modified membranes enhance separation efficiency by improving permeability, selectivity, and fouling resistance. Advanced analytical techniques, including machine learning and synchrotron radiation, have provided deeper insights into the LDH mechanisms. However, challenges such as metal leaching, low mechanical durability, and limited scalability remain critical hurdles. Future research should focus on optimizing LDH stability, integrating adsorption with membrane separation techniques, and exploring hybrid treatment strategies. The recovery of valuable pharmaceuticals through LDH-based systems also presents a sustainable approach to wastewater management. This review highlights the potential of LDHs in pharmaceutical wastewater treatment while identifying key points for further development to enhance their practicality and large-scale application.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"26 1 1","pages":"1097-1123"},"PeriodicalIF":12.6,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144252380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advancements of heavy metals control in the environment from detection to separation and recovery: Emerging microfluidics strategy 环境中重金属控制从检测到分离和回收的进展:新兴的微流体策略
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-03 DOI: 10.1080/10643389.2025.2483534
Xiaoyun Liu, Hongrui Xiang, Jiawei Li, Wenchao Zhang, Feiping Zhao, Qingwei Wang, Meiqing Shi, Yunyan Wang, Xu Yan, Liyuan Chai
{"title":"Advancements of heavy metals control in the environment from detection to separation and recovery: Emerging microfluidics strategy","authors":"Xiaoyun Liu, Hongrui Xiang, Jiawei Li, Wenchao Zhang, Feiping Zhao, Qingwei Wang, Meiqing Shi, Yunyan Wang, Xu Yan, Liyuan Chai","doi":"10.1080/10643389.2025.2483534","DOIUrl":"https://doi.org/10.1080/10643389.2025.2483534","url":null,"abstract":"Investigating the fate of heavy metals, especially natural environmental processes, requires innovation and precise technologies that can offer knowledge at the microscopic scale. Breakthrough of the microfluidics involved in heavy metals control has accelerated in recent years along with realization of the ubiquity, non-degradability, bioaccumulation, mobility and reactivity of heavy metals in the environment. This review explores recent advances in microfluidic applications for heavy metal control, spanning detection, separation, and recovery. Among microreactors, droplet-based systems demonstrate exceptional performance in detecting trace contaminants, achieving detection limits below 0.5 µg/L through enhanced mixing and reaction efficiency. For separation, liquid-liquid extraction microreactors stand out, with optimized interfaces yielding extraction efficiencies of up to 99.3% for cadmium (Cd) under specific flow and pH conditions. In the realm of recovery, electrochemical microreactors have shown potential for selective deposition, achieving high recovery rates at optimized current densities and tailored electrode materials. Future work will focus on the design and development of functional integration and scale-up of microfluidic systems/platforms, particularly in terms of the flexibility of microfluidic device design and assembly, as well as the efficiency of mass and heat transfer and reactions. The precise process control characteristics of microfluidic systems make them highly promising for applications in environmental monitoring, pollution control, and resource recovery.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"6 1","pages":"1-21"},"PeriodicalIF":12.6,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
New trend on chemical structure representation learning in toxicology: In reviews of machine learning model methodology 毒理学中化学结构表征学习的新趋势:机器学习模型方法综述
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-03 DOI: 10.1080/10643389.2025.2469868
Jiabin Zhang, Lei Zhao, Wei Wang, De-Feng Xing, Zhen-Xing Wang, Jun Ma, Aijie Wang, Nan-Qi Ren, Duu-Jong Lee, Chuan Chen
{"title":"New trend on chemical structure representation learning in toxicology: In reviews of machine learning model methodology","authors":"Jiabin Zhang, Lei Zhao, Wei Wang, De-Feng Xing, Zhen-Xing Wang, Jun Ma, Aijie Wang, Nan-Qi Ren, Duu-Jong Lee, Chuan Chen","doi":"10.1080/10643389.2025.2469868","DOIUrl":"https://doi.org/10.1080/10643389.2025.2469868","url":null,"abstract":"Computer-assisted virtual screening using structure-activity relationship (QSAR) models is a surrogate method for reducing the need for costly animal experiments. However, traditional QSAR models face significant challenges, such as the ‘activity cliff’ phenomenon and small datasets, which limit their ability to generalize and predict toxicity. This review examines transistion of digital encodings form in molecules and its corresponding models, introducing from molecule descriptors to three advanced types of molecular representations based on deep learning techniques. We highlight the importance of deep learning models that can not only capture molecular similarity in chemical space to address the ‘activity cliff’ problem but also improve model performance through feature fusion. As alternative solutions to reduce reliance on feature engineering potentially, graph neural network, convolutional neural network and large lanuage model and their related training paradigm such as transfer learning could give another opportunity for toxicity model setting in terms of data insuffient dealing etc. This work could help potential deep learning modelers to build robust model, setting the stage for groundbreaking advancements in further development and application of toxicity prediction models.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"543 1","pages":"1-26"},"PeriodicalIF":12.6,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advances in anammox process for municipal wastewater treatment plants: A review focusing on applied study and full-scale implementation cases 城市污水处理厂厌氧氨氧化工艺研究进展:以应用研究和大规模实施案例为重点
IF 12.6 1区 环境科学与生态学
Critical Reviews in Environmental Science and Technology Pub Date : 2025-07-03 DOI: 10.1080/10643389.2025.2483522
Xin Yin, Wenqi Li, Meng Zhang, Rui Du, Chongjun Chen
{"title":"Advances in anammox process for municipal wastewater treatment plants: A review focusing on applied study and full-scale implementation cases","authors":"Xin Yin, Wenqi Li, Meng Zhang, Rui Du, Chongjun Chen","doi":"10.1080/10643389.2025.2483522","DOIUrl":"https://doi.org/10.1080/10643389.2025.2483522","url":null,"abstract":"Anaerobic ammonia oxidation (anammox) has become a prominent research topic in municipal wastewater treatment. It features significant advantages such as reduced organic carbon demand, decreased sludge generation, and realized energy-saving operations. This review summarizes the implementation situation of the anammox process in municipal wastewater treatment. First, the performance, process, and applied studies of the anammox process in sidestream and mainstream treatments are discussed. Additionally, full-scale implementation cases of the anammox process for treating municipal wastewater in various countries and regions were presented. Finally, future directions for anammox process in practical engineering were proposed to support energy self-sufficiency and carbon neutrality.","PeriodicalId":10823,"journal":{"name":"Critical Reviews in Environmental Science and Technology","volume":"24 1","pages":"1-24"},"PeriodicalIF":12.6,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144136736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The ability of hydrogen peroxide (H2O2) to degrade saxitoxin-, microcystin-, anatoxin-, and non-toxin-producing strains of the harmful cyanobacterium, Dolichospermum. 过氧化氢(H2O2)降解有害蓝藻(Dolichospermum)的蛤蚌毒素(saxitoxin-)、微囊藻毒素(microcystin-)、褐藻毒素(anatoxin-)和非产毒菌株的能力。
IF 8 2区 环境科学与生态学
Journal of Environmental Management Pub Date : 2025-07-01 Epub Date: 2025-05-26 DOI: 10.1016/j.jenvman.2025.125696
Christopher J Gobler, Benjamin J Kramer, Mark W Lusty, John Thraen, Sarah McTague
{"title":"The ability of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) to degrade saxitoxin-, microcystin-, anatoxin-, and non-toxin-producing strains of the harmful cyanobacterium, Dolichospermum.","authors":"Christopher J Gobler, Benjamin J Kramer, Mark W Lusty, John Thraen, Sarah McTague","doi":"10.1016/j.jenvman.2025.125696","DOIUrl":"10.1016/j.jenvman.2025.125696","url":null,"abstract":"<p><p>Hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) has been used to mitigate cyanobacterial harmful algal blooms (CHABs), yet little is known about how H<sub>2</sub>O<sub>2</sub> affects specific CHAB-forming genera as well as cyanotoxins beyond microcystin. This project examined the dose-dependent effects of H<sub>2</sub>O<sub>2</sub> on six strains of Dolichospermum spp. including those that produce saxitoxin, anatoxin-a, and microcystin. Beyond toxins, this study quantified changes in photosynthetic efficiency, cell density, H<sub>2</sub>O<sub>2</sub> concentration, and N<sub>2</sub>-fixation rates. All strains were sensitive to H<sub>2</sub>O<sub>2</sub> with responses being dependent on dose (0-30 mg L<sup>-1</sup>) of H<sub>2</sub>O<sub>2</sub>, cell density, and strain. At 1 × 10<sup>5</sup> cells mL<sup>-1</sup>, 4 mg H<sub>2</sub>O<sub>2</sub> L<sup>-1</sup> significantly reduced cell density, photosynthetic efficiency, toxins, and N<sub>2</sub>-fixation rates of all strains (p < 0.05 for all compared to controls). At 1 × 10<sup>6</sup> cells mL<sup>-1</sup>, however, higher doses of H<sub>2</sub>O<sub>2</sub> were needed to reduce one or more of the variables, with some strains unaffected by as much as 15 mg L<sup>-1</sup>, a concentration known to harm zooplankton and invertebrates. While H<sub>2</sub>O<sub>2</sub> degraded anatoxin-a at all cell densities and doses, at 1 × 10<sup>6</sup> cells mL<sup>-1</sup> neither microcystin nor saxitoxin were significantly degraded after four days, even by 15 mg H<sub>2</sub>O<sub>2</sub> L<sup>-1</sup>, despite significant reduction in Dolichospermum cell densities. This finding suggests that during dense Dolichospermum blooms, H<sub>2</sub>O<sub>2</sub> treatment may destroy cells but may concurrently liberate saxitoxin or microcystin that persists in the water column and enters food webs. Collectively, this study demonstrated that although H<sub>2</sub>O<sub>2</sub> can efficiently lyse Dolichospermum cells, doses needed to mitigate dense blooms of all strain types (≥15 mg L<sup>-1</sup>) may harm non-target organisms and may not effectively degrade saxitoxin and microcystin.</p>","PeriodicalId":356,"journal":{"name":"Journal of Environmental Management","volume":"387 ","pages":"125696"},"PeriodicalIF":8.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144155395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biogenic synthesis of silver nanoparticles for colorimetric detection of Fe3+ in environmental samples: DFT calculations and molecular docking studies. 用于环境样品中Fe3+比色检测的纳米银生物合成:DFT计算和分子对接研究。
IF 8 2区 环境科学与生态学
Journal of Environmental Management Pub Date : 2025-07-01 Epub Date: 2025-05-27 DOI: 10.1016/j.jenvman.2025.125880
Nasibeh Azizi-Khereshki, Hassan Zavvar Mousavi, Majid Farsadrooh, Mehdi Evazalipour, Mehran Feizi-Dehnayebi, Ghodsi Mohammadi Ziarani, Maged Henary, Sami Rtimi, Tejraj M Aminabhavi
{"title":"Biogenic synthesis of silver nanoparticles for colorimetric detection of Fe<sup>3+</sup> in environmental samples: DFT calculations and molecular docking studies.","authors":"Nasibeh Azizi-Khereshki, Hassan Zavvar Mousavi, Majid Farsadrooh, Mehdi Evazalipour, Mehran Feizi-Dehnayebi, Ghodsi Mohammadi Ziarani, Maged Henary, Sami Rtimi, Tejraj M Aminabhavi","doi":"10.1016/j.jenvman.2025.125880","DOIUrl":"10.1016/j.jenvman.2025.125880","url":null,"abstract":"<p><p>Olive leaf (OL) extract, rich in phenolic compounds, was employed as a green reductant and capping agent for the biogenic synthesis of silver nanoparticles (Ag NPs), providing an eco-friendly alternative to conventional chemical methods. The OL-Ag NPs demonstrated dual functionality as a colorimetric Fe<sup>3+</sup> sensor and broad-spectrum antimicrobial agent, characterized by DLS, UV-vis spectroscopy, FT-IR, XRD, and FE-SEM. Optimization of the Fe<sup>3+</sup> sensing parameters via CCD combined with RSM identified optimal conditions of pH 5.8, 211 μL probe volume, and 3 min complexation time, resulting in rapid detection with a visible color change from pale yellow to dark green. The interference study demonstrated that OL-Ag NPs selectively detect Fe<sup>3+</sup> in aqueous samples through Fe<sup>3+</sup>-specific chelation-induced agglomeration, exhibiting no cross-reactivity with coexisting ions. DFT calculations elucidated the stable interaction mechanism between OL-Ag NPs and Fe<sup>3+</sup> ions, supported by molecular electrostatic potential maps and binding energy analyses. The colorimetric nanoprobe exhibited excellent selectivity for Fe<sup>3+</sup> over competing metal ions, with a low detection limit (LOD) of 0.81 μM and limit of quantification (LOQ) of 2.7 μM. Field-deployable test strips enabled rapid on-site detection of Fe<sup>3+</sup> ions, exhibiting concentration-dependent color shifts from pale yellow to dark green. The sensor achieved recoveries of 86-92.5 % in real water samples, consistent with ICP-OES results. Biological evaluations of OL-Ag NPs revealed strong antibacterial activity, with inhibition zones of 1.6 mm against B. subtilis (highest growth inhibition), 1.2 mm against S. aureus and E. coli, and 1.0 mm against P. aeruginosa (lowest growth inhibition), comparable to gentamicin. Molecular docking simulations supported these findings, showing binding free energies of -8.41 kcal/mol with S. aureus and -4.65 kcal/mol with E. coli proteins. Cytotoxicity assays on Hu02 cells indicated low toxicity and effective cellular uptake, with intracellular imaging confirming Fe<sup>3+</sup> detection capability. Overall, this study presents a simple, cost-effective, and environmentally benign synthesis of OL-Ag NPs with dual functionality as a highly sensitive colorimetric sensor for Fe<sup>3+</sup> and an effective antimicrobial agent, promising broad applications in environmental monitoring and biomedicine.</p>","PeriodicalId":356,"journal":{"name":"Journal of Environmental Management","volume":"387 ","pages":"125880"},"PeriodicalIF":8.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144172378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Moran's I of VRPAD: A human activity-sensitive spatial pattern index for vegetation restoration evaluation. Moran’s I of VRPAD:一种人类活动敏感的植被恢复评价空间格局指数。
IF 8 2区 环境科学与生态学
Journal of Environmental Management Pub Date : 2025-07-01 Epub Date: 2025-05-27 DOI: 10.1016/j.jenvman.2025.125948
Daojun Zhang, Yu Zhang
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