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Assessment of mineral nutrition level and heavy metals toxicity in Kosovo herbal remedies. 科索沃草药中矿物质营养水平和重金属毒性的评估。
IF 1.8 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-10-14 DOI: 10.1080/03601234.2025.2572250
Albana Milaimi, Liridon Buqaj, Ibrahim Ertugrul Yalcin, Sheval Memishi, Yllka Shehdadi, Urtina Avdija, Belma Gjergjizi Nallbani

This study evaluates the heavy metal and nutritional element content in the reproductive organs of medicinal plants (Helianthus annuus, Matricaria chamomilla, Tilia argentea, Sambucus nigra, Calendula officinalis, Crataegus monogyna, Juniperus communis, Malus sylvestris, and Rosa canina) collected from the "Agroproduct" collection point in Kosovo. The main purpose of this study is to make an elemental analysis of above-mentioned plant species belonging to the Kosovo region and to clearly reveal whether these plants are consumable or safe for human health. Therefore, the parameters specified in the literature were evaluated to determine this, including metal and mineral concentration, correlation studies, and risk assessments using RDA (Recommended Daily Allowance), EDI (Estimated Daily Intake), THQ (Target Hazard Quotient), and HI (Hazard Index). Results showed that C. monogyna had the highest calcium (4863.32 mg/kg) and lead (3.53 mg/kg) levels, M. chamomilla had the highest potassium (15747.64 mg/kg), S. nigra fruits had the highest magnesium (2951.42 mg/kg), and C. officinalis had the highest sodium (1751.34 mg/kg), copper (12.51 mg/kg), and zinc (34.48 mg/kg). T. argentea had elevated manganese (127.30 mg/kg), and H. annuus had the highest iron (134.68 mg/kg) and nickel (9.37 mg/kg). R. canina, J. communis, and M. sylvestris did not exhibit the highest values for any evaluated elements. Comparisons with WHO/FAO allowable limits revealed that S. nigra fruits, T. argentea, H. annuus, C. monogyna, and M. chamomilla had concentrations of chromium, lead, and manganese exceeding permissible levels. Although certain elements exceeded WHO/FAO limits, risk assessment metrics (THQ, HI) suggest that the exposure levels remain within acceptable safety margins. This study addressing a critical gap in regional phytochemical data and evaluating their safety for human consumption through nutritional profiling and toxicological risk assessment.

本研究对从科索沃“农产品”采集点采集的药用植物(向日葵、洋甘菊、银椴、黑参、金盏菊、山楂、杜松、海棠花和狗尾花)生殖器官中重金属和营养元素含量进行了测定。本研究的主要目的是对属于科索沃地区的上述植物物种进行元素分析,并清楚地揭示这些植物是可消费的还是对人类健康安全的。因此,评估文献中指定的参数来确定这一点,包括金属和矿物质浓度,相关性研究,以及使用RDA(推荐每日摄入量),EDI(估计每日摄入量),THQ(目标危害商)和HI(危害指数)进行风险评估。结果表明,红毛栗果实钙含量最高(4863.32 mg/kg),铅含量最高(3.53 mg/kg),甘菊果实钾含量最高(15747.64 mg/kg),黑曲霉果实镁含量最高(2951.42 mg/kg),马齿苋果实钠含量最高(1751.34 mg/kg),铜含量最高(12.51 mg/kg),锌含量最高(34.48 mg/kg)。铁和镍的含量分别为134.68 mg/kg和9.37 mg/kg。r.c anina, J. communis和M. sylvestris没有表现出任何评价元素的最高值。与世界卫生组织/联合国粮农组织允许限量的比较显示,黑葡萄果实、阿根廷葡萄、黄花葡萄、单叶葡萄和洋甘菊的铬、铅和锰浓度超过允许水平。虽然某些元素超过了世卫组织/粮农组织的限制,但风险评估指标(THQ、HI)表明,暴露水平仍在可接受的安全范围内。本研究解决了区域植物化学数据的一个关键缺口,并通过营养分析和毒理学风险评估来评估它们对人类消费的安全性。
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引用次数: 0
Optimization of adsorption performance by mesoporous materials developed from local clays and zeolite. Application in the treatment of real pharmaceutical effluents. 以当地粘土和沸石为原料制备的介孔材料吸附性能的优化。在实际制药废水处理中的应用。
IF 1.4 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2024-12-24 DOI: 10.1080/03601234.2024.2444123
Nor El Houda Fardjaoui, Fatima Zohra El Berrichi, Joelle Duplay, Ibtissem Slatni, Hamdi Mekhlouf, Sara Djebiha, Dhikra Mahieddine, Raja Benamar, Noureddine Bouchemal, Brahim Gasmi, Ilhem Rekkab, Ammar Maoui

The treatment of effluents from the pharmaceutical industry currently remains a major challenge due to their impact on the environment and public health along with the cost of treatments. Considering these issues, our work focused on the development of materials with effective adsorption properties to treat industrial effluents based on locally available and inexpensive clays and zeolite. Local Algerian kaolin (Djebel Debbagh), palygorskite (Ghoufi) and zeolite (Tinbdar) were treated thermally and chemically prior to synthesis into mesoporous materials of hexagonal structure using pluronic P123 as surfactant. The raw and synthesized materials were tested in the adsorption of pharmaceutical effluents from industries producing antihistamine and diuretic-type drugs. Analyses of physicochemical parameters (chemical and biological oxygen demand) as well as measurement of the concentrations of PO4³-, NO2-, NH4+ of effluents were done before and after the adsorption process by the raw and mesoporous clays and zeolite. The results showed a reduction of all parameters with greater efficiency of mesoporous DD3 which indicated that it is a promising mesoporous adsorbent for treating pharmaceutical effluents. Reduced rates of these three physical parameters (PO4³-, NO2-, NH4+) in the case of NEUROVIT® by mesoporous DD3 are 61%, 98% and 77%. However, PO4³-, NO2- elimination percentages DIAPHAG® onto DD3 are 79% and 87%, respectively.

由于制药工业废水对环境和公众健康的影响以及治疗费用高昂,目前对它们的处理仍然是一项重大挑战。考虑到这些问题,我们的工作重点是开发具有有效吸附性能的材料,以处理当地可获得的廉价粘土和沸石为基础的工业废水。以阿尔及利亚当地高岭土(Djebel Debbagh)、高岭土(Ghoufi)和沸石(Tinbdar)为原料,以pluronic P123为表面活性剂,对其进行热处理和化学处理,合成了六方结构的介孔材料。对原料和合成材料对抗组胺类和利尿剂类药物生产企业的制药废水进行了吸附试验。对原料、介孔粘土和沸石吸附前后出水的理化参数(化学需氧量和生物需氧量)进行了分析,并测定了出水的PO4³-、NO2-、NH4+浓度。结果表明,介孔DD3在降低各参数的同时效率较高,是一种很有前途的处理制药废水的介孔吸附剂。在NEUROVIT®中,介孔DD3对这三个物理参数(PO4³-,NO2-, NH4+)的还原率分别为61%,98%和77%。然而,DIAPHAG®对DD3的PO4³-和NO2-去除率分别为79%和87%。
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引用次数: 0
Effective removal of carbofuran pesticide in wastewater using silver-doped TiO2 photocatalyst. 掺银TiO2光催化剂对废水中呋喃农药的有效去除。
IF 1.4 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-01-31 DOI: 10.1080/03601234.2025.2457277
Nguyen Thi Mai Huong, Nguyen Thi Thuy, Pham Thi Thu Hoai, Do Thi Minh Hanh

This study presents effective methods for utilizing the TiO2 photocatalyst in environmental remediation, with a particular focus on the removal of the carbofuran pesticide (CBFP) from wastewater. Silver (Ag) was selected as a potential dopant to improve the optical properties as well as the electron-hole pair separation efficiency of TiO2. Ag-doped TiO2 (Ag-TiO2) effectively decomposed 92.8% CBFP under solar light, which was significantly higher than that of TiO2 (21.3%). Ag-TiO2 also exhibited good reusability for CBFP degradation, with a reduction in removal efficiency of less than 3% after three cycles. In practical applications, Ag-TiO2 successfully degraded 89.3% of CBFP in wastewater and 98.7% in surface water. The findings of this work bring an effective method for removing pesticide pollutants using Ag-TiO2 photocatalyst.

本研究提出了利用TiO2光催化剂进行环境修复的有效方法,特别是对废水中呋喃农药(CBFP)的去除。为了提高TiO2的光学性能和电子-空穴对分离效率,选择银(Ag)作为潜在的掺杂剂。ag掺杂TiO2 (Ag-TiO2)在日光下有效分解CBFP的效率为92.8%,显著高于TiO2(21.3%)。Ag-TiO2在CBFP降解中也表现出良好的可重复使用性,经过3个循环后,去除效率降低不到3%。在实际应用中,Ag-TiO2成功降解了废水中89.3%的CBFP和地表水中98.7%的CBFP。本研究结果为利用Ag-TiO2光催化剂去除农药污染物提供了一种有效的方法。
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引用次数: 0
Robust monitoring, risk assessment, and environmental impact of antibacterial residues in animal and fishery products collected in Tokyo from 2020 to 2024. 2020年至2024年在东京收集的动物和渔业产品中抗菌残留的强有力监测、风险评估和环境影响。
IF 1.8 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-11-18 DOI: 10.1080/03601234.2025.2589552
Hiroshi Koike, Souichi Yoshikawa, Takayuki Nakajima, Hiroshi Hayashi, Yumi Ohba, Hiroko Shiradoh, Momoka Hayashi, Chieko Nagano, Yoko Matsushima, Maki Kanda, Shoichi Tahara

Antibacterial agents have been used in livestock and aquaculture systems; however, residues in the environment and foodstuffs are of great concern to human health. In this study, the levels of 45 antibacterial agents in 1154 animal and fishery products collected in Tokyo (Japan) from 2020 to 2024 were assessed. Microbiological screening was performed, followed by LC-MS/MS analysis. Residues were detected in 22 samples. A total of 27 residues were detected in the positive samples, and six antibacterial agents (cefazoline, chlortetracycline, doxycycline, lincomycin, oxytetracycline, and tetracycline) were quantified. The findings indicated that 99% of the samples contained residues at regulation-approved levels, and one violation was detected. Dietary exposure was evaluated using the estimated daily intake of the violation and benchmarked against the corresponding acceptable daily intake (ADI). The %ADI value was 0.81, indicating a low health risk. Thus, monitoring residual antibacterial agents is beneficial for assessing their risks and preventing their accumulation in urban environments. To the best of our knowledge, this is the first report of robust monitoring supported by a continuous performance evaluation using a microbiological screening method. Future monitoring should focus on managing the abuse of antibacterial agents, enhancing food safety, and safeguarding public health.

抗菌剂已用于家畜和水产养殖系统;然而,环境和食品中的残留对人类健康有着重要的影响。本研究对2020 - 2024年在日本东京采集的1154种动物和渔业产品中45种抗菌药物的含量进行了评估。微生物学筛选,LC-MS/MS分析。在22份样品中检测到残留。阳性样品中共检出27个残留物,对头孢唑啉、金四环素、强力霉素、林可霉素、土霉素、四环素6种抗菌药物进行定量分析。调查结果表明,99%的样品含有符合法规批准水平的残留物,并检测到一次违规。使用估计的违规日摄入量评估饮食暴露,并以相应的可接受日摄入量(ADI)为基准。%ADI值为0.81,表明健康风险较低。因此,监测抗菌药物残留有助于评估其风险,防止其在城市环境中积累。据我们所知,这是第一份使用微生物筛选方法进行持续性能评估的强有力监测报告。今后的监测应集中在管理抗菌剂滥用、加强食品安全和保障公众健康等方面。
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引用次数: 0
Phyto and cytoxicity effects of a nicosulfuron-based herbicide in two different plant models: Zea mays L. and Lactuca sativa L. 一种镍硫除草剂对玉米和油菜两种不同植物模型的植物毒性和细胞毒性效应。
IF 1.8 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-12-03 DOI: 10.1080/03601234.2025.2595873
Quênia Mara Silva, Marcel José Palmieri, Larissa Fonseca Andrade-Vieira

Corn is the second most cultivated crop in Brazil, nicosulfuron is widely applied in maize fields to control post-emergent weeds. Traces of nicosulfuron can be found in soil and superficial water highlighting the herbicide potential toxicity. The present work aimed to evaluate the effects of a nicosulfuron based-herbicide through bioassays with the plant model Lactuca sativa L. (lettuce) and the crop plant Zea mays L (maize). The test solutions were prepared from commercial products and contained nicosulfuron at the following concentrations: 0.3; 0.6; 1.3; 2.3; 5.0; 10.0; 15.0; 20.0; 25.0 e 30.0 mg L-1. Distilled water was used as a negative control, and aluminum solution was used as a positive control. Macroscopic analyses were performed for both models, and microscopic analysis were performed only for L. sativa. The negative interference of the nicosulfuron-based herbicide on lettuce was observed for all macroscopic parameters analyzed reducing germination, germination speed, root and shoot growth even at the dosage of use recommended for field application by the herbicide manufacturer, 5 mg L-1. For the microscopic parameters the frequency of chromosome alterations and condensed nuclei were not significant but micronuclei were significantly increased. The data demonstrate that the herbicide based on nicosulfuron is potentially hazardous.

玉米是巴西第二大种植作物,尼科隆被广泛应用于玉米田,以防治苗期后杂草。在土壤和浅水中可以发现微量的尼科磺隆,这突出了除草剂的潜在毒性。本研究旨在通过植物模型莴苣(Lactuca sativa L.)和作物植物玉米(Zea mays L.)的生物测定来评价一种基于nico磺隆的除草剂的效果。测试溶液由商业产品制备,含有浓度为0.3的尼科磺隆;0.6;1.3;2.3;5.0;10.0;15.0;20.0;25.0 ~ 30.0 mg L-1。以蒸馏水为阴性对照,以铝溶液为阳性对照。两种模型均进行了宏观分析,仅对L. sativa进行了微观分析。在除草剂生产厂家推荐的田间用量为5 mg L-1的情况下,对生菜的宏观参数均有负干扰,降低了生菜的发芽率、发芽速度、根和芽的生长。显微参数上染色体改变和核凝聚频率不显著,但微核显著增加。数据表明,以尼科磺隆为基础的除草剂具有潜在的危险性。
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引用次数: 0
Environmental Risk Index of the main insecticides used In the state of Mato Grosso. 马托格罗索州主要杀虫剂的环境风险指数。
IF 1.4 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-04-26 DOI: 10.1080/03601234.2025.2496064
Eliza Vitoria Marinho Viana, Marilza da Silva Costa, Jefferson Marcelo Arantes da Silva, Henrique Fonseca Goulart, Miriam Hiroko Inoue, Mônica Josene Barbosa Pereira

Mato Grosso is the largest consumer of pesticides in Brazil, and although their role in phytosanitary control is evident, environmental contamination is a concern due to their intensive use. Therefore, identifying the behavior of pesticides in the environment can assist in risk management, and the Environmental Risk Index (ERI) is an indirect way of knowing the potential of these compounds. This study was aimed at evaluating the ERI of the most sold insecticides in Mato Grosso used for the control of lepidopteran pests. The parameters evaluated were persistence in the soil, leaching, volatility, toxicological profile and recommended dose. Our findings reported on 24 insecticides, which totaled an annual amount of 23,046,348 kg of active ingredients, with acephate at the top of the ranking with 8,974,413 kg sold in 2020. This insecticide, despite being widely used, had the lowest ERI due to low persistence, leaching and volatility, and its critical factor was animal toxicity. Malathion, methoxyphenozide, chlorantraniliprole, flubendiamide, and beta-cyfluthrin had the highest ERI, with toxicological profile and persistence in the environment as critical factors. In general, all compounds exhibited medium to very high levels of toxicity, indicating the need to manage risks associated with insecticide use and select those with lower impact, to minimize damage to agroecosystems.

马托格罗索州是巴西最大的农药消费国,尽管农药在植物检疫控制方面的作用是显而易见的,但由于农药的大量使用,环境污染是一个问题。因此,识别农药在环境中的行为有助于风险管理,而环境风险指数(ERI)是了解这些化合物潜在的间接方法。本研究旨在评价马托格罗索州销售最多的用于防治鳞翅目害虫的杀虫剂的ERI。评估的参数是土壤中的持久性、淋失性、挥发性、毒理学特征和推荐剂量。我们的调查结果报告了24种杀虫剂,年有效成分总量为23,0463,348公斤,其中乙酰甲胺磷在2020年的销量为8,974,413公斤,排名第一。尽管该杀虫剂被广泛使用,但由于持久性、淋失性和挥发性较低,其ERI最低,其关键因素是动物毒性。马拉硫磷、甲氧苯肼、氯虫腈、氟虫胺和氟氯菊酯的ERI最高,其毒理学特征和在环境中的持久性是关键因素。总的来说,所有化合物都显示出中等至非常高的毒性水平,这表明需要管理与杀虫剂使用有关的风险,并选择影响较小的化合物,以尽量减少对农业生态系统的损害。
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引用次数: 0
Risk assessment of organophosphorus pesticide residues in Lonicera japonica extracted using hydrophobic deep eutectic solvents and determined by LC-MS/MS. 疏水深共晶溶剂提取金银花中有机磷农药残留风险评价及LC-MS/MS测定
IF 1.8 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2026-01-01 DOI: 10.1080/03601234.2025.2605875
Tang Yan-Mei, Li Bing, Cai Wei, Lin Tao, Fang Haixian, Liu Hongcheng, Pang Guofang, Chang Qiaoying

Hydrophobic deep eutectic solvents (HDES) are considered to be efficient and green solvents for the extraction of organophosphorus pesticide (OP) residues from Lonicera japonica. Characterizations of HDES were evaluated with two organic acids and two alcohols. Synthesis was performed based on menthol as a hydrogen bond acceptor (HBA) and lauryl alcohol as a hydrogen bond donor (HBD). A menthol and lauryl alcohol mixture (molar ratio of 1:1) was optimal for extracting OPs. Three pesticide residues, including chlorpyrifos (detection rate 100%), oxomethoate (30%), and triazophos (8.3%), were found in all samples. Pesticide risk was evaluated using the hazard quotient (HQ). The highest HQa and HQc values for children were from oxomethoate (3.26% and 37.39%), which presented a low risk. To reduce the risk of excessive organophosphorus pesticide residues in Lonicera japonica, oxomethoate usage should be avoided.

疏水深共晶溶剂(HDES)被认为是提取金银花中有机磷农药残留的高效绿色溶剂。用两种有机酸和两种醇评价了HDES的表征。以薄荷醇为氢键受体(HBA),十二烷基醇为氢键给体(HBD)进行合成。薄荷醇和月桂醇的混合物(摩尔比为1:1)是提取黄芪多糖的最佳溶剂。所有样品中均检出毒死蜱(检出率100%)、氧乐果(检出率30%)和三唑磷(8.3%)3种农药残留。采用危害商数(HQ)评价农药风险。儿童HQa和HQc值最高的是氧乐果(3.26%和37.39%),风险较低。为减少金银花有机磷农药过量残留的风险,应避免使用氧乐果。
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引用次数: 0
First report in two decades of ciguatera fish poisoning linked to small-sized fish consumption in the Canary Islands. 这是加那利群岛二十年来首次报道与食用小型鱼类有关的雪卡水中毒事件。
IF 1.8 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-11-14 DOI: 10.1080/03601234.2025.2585240
Ana Hernández-Aceituno, Isabel Falcón García, Álvaro Torres Lana, Francisco M Martín León, María José Ramos-Sosa, Andres Sanchez-Henao, Carmen Varela Martínez, M Iluminada Negrín Díaz, Eneko Larumbe-Zabala, Jesús Ulises Cabrera García, Minerva Matos Cruz, Miguel Ángel González Cortes, María Fernanda Marín Barragán, Fernando Real Valcárcel

Background: Ciguatoxin poisoning (CP) is the most common non-bacterial seafood poisoning. The first recorded outbreak in the Canary Islands was in 2004. Since 2008, cases have been reported every year.

Aim: To summarise the epidemiological characteristics of CP outbreaks in the Canary Islands between January 1, 2008 and July 1, 2025, and to describe an outbreak produced by the consumption of a fish species not subject to ciguatoxin control in the Canary Islands (Sphyraena viridensis) purchased in a supermarket.

Methods: Retrospective observational descriptive study of the CP outbreaks in the Canary Islands. Fish remains were analyzed for any toxin detection when available.

Results: 28 outbreaks were detected. The most frequent fish was amberjack (Seriola spp.) and grouper (Epinephelus spp.). Four outbreaks were caused by species not included in the control program. Four people required hospital admission. In June 2025, an outbreak caused by a 2 kg yellowmouth purchased at a local supermarket was reported, where one of the affected persons presented symptoms for a month without being diagnosed.

Conclusion: It is advisable to have a continuous review of the species and weights in the ciguatoxin control program, as well as to train emergency physicians to be capable of recognizing the disease.

背景:雪卡毒素中毒是最常见的非细菌性海产品中毒。加那利群岛第一次有记录的疫情是在2004年。自2008年以来,每年都有病例报告。目的:总结2008年1月1日至2025年7月1日期间加那利群岛CP暴发的流行病学特征,并描述因食用在超市购买的加那利群岛不受雪卡毒素管制的鱼类(Sphyraena viridensis)而引起的暴发。方法:对加那利群岛CP暴发进行回顾性观察性描述性研究。鱼的残骸在可能的情况下进行了毒素检测。结果:共发现疫情28起。最常见的鱼类是琥珀鱼(Seriola spp.)和石斑鱼(Epinephelus spp.)。四次暴发是由控制计划中未包括的物种引起的。有四人需要住院治疗。2025年6月,据报道,在当地一家超市购买的2公斤黄口虫引起了一次疫情,其中一名受影响的人出现了一个月的症状,但没有得到诊断。结论:应对雪卡毒素控制方案中的种类和权重进行持续审查,并对急诊医师进行识别该病的培训。
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引用次数: 0
Development of an Interpretable QSAR Model for Predicting Acute Oral Toxicity of Organophosphates in Rats Based on GA-MLR Algorithm. 基于GA-MLR算法预测大鼠急性口服有机磷毒性的可解释QSAR模型的建立。
IF 1.4 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-04-17 DOI: 10.1080/03601234.2025.2489259
Guanqi Yu, Qianlan Zhuo, Chuan Wang

Organophosphates (OPs) are highly hazardous chemicals with broad-spectrum toxicity. Traditional in vivo methods for determining OP toxicity are time-consuming and labor-intensive. In this study, we developed a quantitative structure-activity relationship (QSAR) model to predict acute rat toxicity of OPs using two-dimensional molecular and quantum chemical descriptors, optimized through genetic algorithm-based multiple linear regression (GA-MLR). The optimal model demonstrated robust performance with the following statistical parameters: coefficient of determination (R2) of 0.7451, leave-one-out cross-validation (LOOCV) coefficient (Q2Loo) of 0.6208, external test set coefficient of determination (R2ext) of 0.7360. These metrics indicate excellent generalization and predictive capabilities of the model. Interpretative analysis of the model revealed that NumHDonors and PEOE_VSA were the most significant descriptors influencing OP toxicity. An increase in hydrogen bond donors within OP molecules reduces toxicity, as these donors enhance hydrophilicity, diminishing membrane permeability. Moreover, the PEOE_VSA descriptor characterizes the partial charge properties of OP molecules, reflecting their electrostatic interactions with acetylcholinesterase (AChE) during binding, which influences toxicity. This study presents an optimized modeling strategy designed for small datasets, enabling stable feature selection and accurate assessment of their contributions to toxicity prediction. This research provides a reliable QSAR approach for OP toxicity prediction while offering new insights into toxicity mechanisms.

有机磷是一种具有广谱毒性的高危险性化学品。测定OP毒性的传统体内方法耗时耗力。在本研究中,我们建立了定量构效关系(QSAR)模型,利用二维分子和量子化学描述符预测OPs的急性大鼠毒性,并通过基于遗传算法的多元线性回归(GA-MLR)进行优化。最优模型具有稳健性,统计参数为:决定系数(R2)为0.7451,留一交叉验证(LOOCV)系数(Q2Loo)为0.6208,外部测试集决定系数(R2ext)为0.7360。这些指标表明该模型具有出色的泛化和预测能力。模型的解释性分析显示,numhdonor和PEOE_VSA是影响OP毒性的最显著描述符。OP分子内氢键供体的增加降低了毒性,因为这些供体增强了亲水性,降低了膜的渗透性。此外,PEOE_VSA描述符表征了OP分子的部分电荷性质,反映了它们在结合过程中与乙酰胆碱酯酶(AChE)的静电相互作用,从而影响毒性。本研究提出了一种针对小数据集设计的优化建模策略,能够稳定地选择特征并准确评估其对毒性预测的贡献。本研究为OP毒性预测提供了可靠的QSAR方法,同时为毒性机制提供了新的见解。
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引用次数: 0
Impact of heavy metals on health and quality of Oreochromis niloticus cultured in biofloc and earthen pond systems. 重金属对生物群落和土塘系统中尼罗褐虾健康和品质的影响。
IF 1.4 4区 农林科学 Q4 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-01 Epub Date: 2025-02-27 DOI: 10.1080/03601234.2025.2468065
Khalid Hussain Rind, Madeeha Arshad, Saima Majeed, Syed Sikandar Habib, Salim S Al-Rejaie, Mohamed Mohany, Francesca Aragona, Francesco Fazio

Heavy metal contamination in aquaculture threatens fish health and consumer safety, with bioaccumulation differing between farming systems. The study compares heavy metal (Cd, Cr, Pb and Cu) contamination in fish feed, water and organs (muscle, gills and liver) of Nile tilapia (Oreochromis niloticus) from biofloc and pond farming systems. Samples were collected from ten biofloc tanks and ten earthen ponds, with heavy metals quantified using atomic absorption spectrophotometry. Heavy metal levels in fish feed were below permissible limits, while pond water showed significantly higher (P < 0.05) contamination than biofloc water. Pond-reared tilapia exhibited higher heavy metal accumulation in muscles, gills and liver compared to biofloc-reared fish. The liver showed the highest bioaccumulation, followed by gills, in both systems. Cd levels exceeded standard limits in the liver and gills of pond-reared fish. Principal component analysis (PCA) and cluster analysis revealed strong correlations between heavy metals in gills, water and liver, while muscles and feed formed a separate cluster. Pb, Cd and Cu were closely associated, suggesting a common contamination source. The health index (HI) for muscle was <1 in both systems, indicating safety for consumption. Overall, biofloc-reared tilapia was found safer for human consumption compared to pond-reared fish.

水产养殖中的重金属污染威胁着鱼类健康和消费者安全,不同养殖系统的生物积累不同。该研究比较了来自生物群落和池塘养殖系统的尼罗罗非鱼(Oreochromis niloticus)的饲料、水和器官(肌肉、鳃和肝脏)中的重金属(Cd、Cr、Pb和Cu)污染。从10个生物絮凝池和10个土池中采集样品,采用原子吸收分光光度法测定重金属含量。鱼饲料中重金属含量低于允许限量,池塘水中重金属含量明显高于允许限量
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引用次数: 0
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Journal of Environmental Science and Health Part B-pesticides Food Contaminants and Agricultural Wastes
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