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Editorial to special issue on “Nano-enabled approaches for sustainable development of food and agricultural systems” “粮食和农业系统可持续发展的纳米方法”特刊社论
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100434
Muhammad Adeel , Muhammad Arslan Ahmad , Melanie Kah , Leonardo Fraceto , Jason C. White
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引用次数: 1
Nanogold morphologies with the same surface chemistry provoke a different innate immune response: An in-vitro and in-vivo study 具有相同表面化学的纳米金形态引起不同的先天免疫反应:一项体外和体内研究
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100419
Muhammad Usman , Yasra Sarwar , Rashda Abbasi , Hafiz Muhammad Ishaq , Maryam Iftikhar , Irshad Hussain , Ruken Esra Demirdogen , Ayesha Ihsan

Gold nanomaterials (GNMs) have unique optical properties with less antigenicity, and their physicochemical properties have strong relation with an immunological response at bio-interface including antigenicity. An interpretation of this correlation would significantly impact on the clinical and theranostic applications of GNMs. Herein, we studied the effect of GNMs morphology on the cytotoxicity (in-vitro), innate immune responses, hepatotoxicity, and nephrotoxicity (in-vivo studies) using gold nano-cups (GNCs), porous gold nanospheres (PGNSs) and solid gold nano particles (SGNPs) coated with the same ligand to ensure similar surface chemistry. The cytotoxicity was assessed via sulfo-rhodamine B (SRB) assay, and the cytotoxicity data showed that morphological features at nanoscale dimensions like surface roughness and hollowness etc. have a significant impact on cellular viability. The biochemical and histopathological study of liver and kidney tissues also showed that all GNMs did not show any toxicity even at high concentration (100 μL). The relative quantification of cytokine gene expression of TNF-α, IFN-γ, IL-4, 1L-6, and 1L-17 (against each morphology) was checked after in-vivo activation in mice. Among the different nanogold morphologies, PVP stabilized GNCs (PVP-GNCs) showed the highest release of pro-inflammatory cytokines, which might be due to their high surface energy and large surface area for exposure as compared to other nanogold morphologies studied. The pro-inflammatory cytokine release could be suppressed by coating with some anti-inflammatory polymer, i.e., inulin. The in-vitro results of pro-inflammatory (TNF-α, IL-1) cytokines also suggested that all GNMs may induce activation of macrophages and Th1 immune response. The in-vivo activation results showed a decrease in mRNA expression of the cytokines (TNF-α, IFN-γ, IL-4, 1L-6 and 1L-17). Based on these findings, we proposed that the shape and morphology of GNMs control their immune response at nano-bio interface, and it must be considered while designing their role for different biomedical applications like immuno-stimulation and bio-imaging.

金纳米材料具有独特的光学性质和较低的抗原性,其物理化学性质与包括抗原性在内的生物界面免疫反应密切相关。对这种相关性的解释将对GNMs的临床和治疗应用产生重大影响。在此,我们研究了GNMs的形态对细胞毒性(体外)、先天免疫反应、肝毒性和肾毒性(体内研究)的影响,使用包被相同配体的金纳米杯(GNCs)、多孔金纳米球(PGNSs)和固体金纳米颗粒(SGNPs)来确保相似的表面化学。通过磺胺罗丹明B (SRB)法评估细胞毒性,细胞毒性数据显示,纳米尺度上的表面粗糙度和中空度等形态学特征对细胞活力有显著影响。肝脏和肾脏组织的生化和组织病理学研究也表明,即使在高浓度(100 μL)下,所有GNMs也没有表现出任何毒性。在小鼠体内活化后,检测TNF-α、IFN-γ、IL-4、1L-6和1L-17(相对于每种形态)细胞因子基因表达的相对定量。在不同的纳米金形态中,PVP稳定的GNCs (PVP-GNCs)显示出最高的促炎细胞因子释放,这可能是由于与其他纳米金形态相比,PVP稳定的GNCs具有较高的表面能和较大的暴露表面积。用抗炎聚合物如菊粉包覆可抑制促炎细胞因子的释放。促炎(TNF-α, IL-1)细胞因子的体外实验结果也表明,所有GNMs均可诱导巨噬细胞活化和Th1免疫反应。体内活化结果显示细胞因子(TNF-α、IFN-γ、IL-4、1L-6和1L-17) mRNA表达降低。基于这些发现,我们提出gnm的形状和形态在纳米生物界面上控制着它们的免疫反应,在设计它们在免疫刺激和生物成像等不同生物医学应用中的作用时必须考虑到这一点。
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引用次数: 1
Combined application of biochar and nano-zeolite enhanced cadmium immobilization and promote the growth of Pak Choi in cadmium contaminated soil 生物炭与纳米沸石复合施用增强了镉的固定化作用,促进了白菜在镉污染土壤中的生长
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100421
Shanshan Feng , Peng Zhang , Yanmei Hu , Feng Jin , Yuqing Liu , Shixin Cai , Zijie Song , Xing Zhang , Tcyganova Nadezhda , Zhiling Guo , Iseult Lynch , Xiuli Dang

Biochar and zeolite have been demonstrated effective to remove heavy metals in soil; however, the effect of combined application of the both materials on the fraction of Cd and soil-plant system are largely unknown. Cd fractions in soil, growth and Cd uptake of Pak Choi were measured after the combined application of biochar (0, 5, 10 and 20 g·kg−1) and nano-zeolite (0, 5, 10, 20 g·kg−1) by pot experiment. Results showed that both single and combined application reduced the exchangeable Cd in soil and improved the plant growth. However, combined application of 20 g·kg−1 biochar with 10 g·kg−1 nano-zeolite showed the strongest effect, with the residual Cd in soil increased by 214% as compared with control. 20 g·kg−1 biochar with 10 g·kg−1 nano-zeolite Mechanic studies showed that this combination enhanced the antioxidant system, with the SOD, CAT and POD activities enhanced by 56.1%, 133.3% and 235.3%, respectively. The oxidative stress was reduced correspondingly, as shown by the reduced MDA contents (by 46.7%). This combination also showed the best efficiency in regulating soil pH, organic matter and soil enzymes thus improving the plant growth. This study suggests that combined application various materials such as biochar and nano-zeolite may provide new strategies for reducing the bioavailability of Cd in soil and thus the accumulation in edible plants.

生物炭和沸石已被证明能有效去除土壤中的重金属;然而,两种材料联合施用对镉含量和土壤-植物系统的影响在很大程度上是未知的。通过盆栽试验,测定了生物炭(0、5、10、20 g·kg−1)和纳米沸石(0、5、10、20 g·kg−1)配施后白菜土壤中Cd组分、生长和Cd吸收量。结果表明,单施和配施均能降低土壤中镉的交换性,促进植株生长。20 g·kg−1生物炭与10 g·kg−1纳米沸石配施效果最强,土壤中Cd残留量较对照增加214%。力学研究表明,20 g·kg−1生物炭与10 g·kg−1纳米沸石的组合增强了抗氧化系统,SOD、CAT和POD活性分别提高了56.1%、133.3%和235.3%。氧化应激相应降低,MDA含量降低46.7%。该组合在调节土壤pH、有机质和土壤酶方面也表现出最好的效果,从而促进植物生长。该研究提示,生物炭和纳米沸石等多种材料的联合施用可能为降低土壤中Cd的生物有效性,从而降低可食植物中Cd的积累提供新的策略。
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引用次数: 9
Metal doped nitrogenous hydroxyapatite nanohybrids slowly release nitrogen to crops and mitigate ammonia volatilization: An impact assessment 金属掺杂含氮羟基磷灰石纳米杂交种缓慢释放氮到作物中并减轻氨挥发:影响评估
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100424
Bhaskar Sharma , Manoj Shrivastava , Luis O.B. Afonso , Udit Soni , David M. Cahill

To supply adequate food, the ongoing and unrestrained administration of nitrogen fertilizer to agricultural fields is polluting the climate and living organisms. On the other hand, the agriculture sector urgently needs a technological upgrade to effectively confront hunger and poverty. Here, we report a rapid synthesis of zinc and magnesium-doped hydroxyapatite-urea nanohybrids for slow release and delivery of nitrogen to wheat and rice crops. Nanohybrids slowly release nitrogen for up to six weeks compared to the burst release of nitrogen from urea, and their use substantially reduces, by at least 3.8 times, ammonia emissions into the environment compared with that of urea fertilizer. A half‑nitrogen dose applied as multi-nutrient complexed nanohybrids maintained crop growth, yield, and nutritional compositions in wheat and subsequent rice crops. Nanohybrids enhanced the wheat crop yield and nitrogen uptake by 22.13% and 58.30%, respectively. The synthesized nitrogen nanohybrids remained in the soil for two continuous crop cycles, reduced ammonia volatilization, and achieved nitrogen delivery to the crops. Additionally, soil dehydrogenase activity (534.55% above control) and urease activities (81.82% above control) suggest that nanohybrids exhibited no adverse impact on soil microorganisms. Our comprehensive study demonstrates the advantages of ‘doping’ as a method for tailoring hydroxyapatite nanoparticles properties for extended agricultural and environmental applications. The use of nanohybrids substantially reduced greenhouse gas emissions and enabled the reduction, by half, of nitrogen inputs into the agricultural fields. This study, therefore, reports a novel nano-enabled platform of engineered hydroxyapatite-urea nanohybrids as a nitrogen fertilizer for efficient nitrogen delivery that results in improved crop growth while minimizing environmental pollution.

为了提供足够的食物,农田里持续而无节制地施用氮肥正在污染气候和生物。另一方面,农业部门迫切需要技术升级,以有效应对饥饿和贫困。在这里,我们报道了一种快速合成的锌和镁掺杂羟基磷灰石-尿素纳米杂交种,用于小麦和水稻作物的缓慢释放和输送氮。与从尿素中突然释放氮相比,纳米杂交种可以缓慢释放氮长达六周,并且与尿素肥料相比,它们的使用大大减少了向环境排放的氨,至少减少了3.8倍。半氮剂量作为多营养复合纳米杂交种用于小麦和随后的水稻作物,维持作物生长、产量和营养成分。纳米杂交种使小麦产量和氮素吸收分别提高22.13%和58.30%。合成的氮纳米杂交种在土壤中连续存在两个作物周期,减少了氨挥发,实现了对作物的氮输送。此外,土壤脱氢酶活性(高于对照534.55%)和脲酶活性(高于对照81.82%)表明,纳米杂交种对土壤微生物没有不利影响。我们的综合研究证明了“掺杂”作为一种裁剪羟基磷灰石纳米颗粒特性的方法的优势,这种方法可以扩展到农业和环境应用中。纳米杂交种的使用大大减少了温室气体排放,并使农田的氮肥投入减少了一半。因此,本研究报告了一种新型的纳米化羟基磷灰石-尿素纳米杂交种作为氮肥的工程平台,可以有效地输送氮,从而改善作物生长,同时最大限度地减少环境污染。
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引用次数: 3
Analogous foliar uptake and leaf-to-root translocation of micelle nanoparticles in two dicot plants of diverse families 不同科的两种双科植物中胶束纳米颗粒的类似叶面吸收和叶根转运
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100431
Smriti Kala , Chetan K.D. Jawle , Nisha Sogan , Amrish Agarwal , Krishna Kant , B.K. Mishra , Jitendra Kumar

Bio-inspired nanoparticles, including metallic, micelles, and polymeric, have been explored as a novel tool in the quest for effective and safe agrochemicals. Although nanoparticles (NPs) are being rapidly investigated for their usefulness in agricultural production and protection, little is known about the behaviour and interaction of oil-in-water micelle nanoparticles or nano-micelles (NM) with plants. We loaded a bio-based resin inherent of tree from the Pinaceae family as active material and produced stable nano-micelles using a natural emulsifier system. Here, we show that foliar-applied nano-micelle can translocate in two dicot plants belonging to diverse families (Coriandrum sativum -Apiaceae and Trigonella foenumgraecum -Fabaceae) via similar mode. Fluorescent-tagged NM (average diameter 11.20nm) showed strong signals and higher intensities as revealed by confocal imaging and exhibited significant adhesion in leaf compared to control. The NM subsequently translocates to other parts of the plants. As observed by SEM, the leaf surface anatomies revealed higher stomata densities and uptake of NM by guard cells; furthermore, larger extracellular spaces in mesophyll cells indicate a possible route of NM translocation. In addition, NM demonstrated improved wetting-spreading as illustrated by contact angle measurement. In a field bioassay, a single spray application of NM offered protection from aphid infestation for at least 9 days. There were no signs of phytotoxicity in plants post-application of NM. We conclude that pine resin-based nano-micelle provides an efficient, safe, and sustainable alternative for agricultural applications.

生物启发纳米颗粒,包括金属,胶束和聚合物,已经被探索作为一种新的工具,在寻求有效和安全的农用化学品。尽管纳米颗粒(NPs)在农业生产和保护中的用途正在迅速得到研究,但人们对水包油胶束纳米颗粒或纳米胶束(NM)与植物的行为和相互作用知之甚少。以松木科植物为原料,采用天然乳化剂体系制备了稳定的纳米胶束。本研究表明,叶面施加的纳米胶束可以通过类似的模式在两种不同科的双科植物(Coriandrum sativum -Apiaceae和Trigonella foenumgraecum -Fabaceae)中转运。荧光标记的纳米(平均直径11.20nm)在共聚焦成像中显示出强信号和更高的强度,与对照组相比,在叶片上表现出明显的粘附性。NM随后转移到植物的其他部位。扫描电镜观察,叶面解剖结构显示气孔密度较高,保卫细胞对NM的吸收较多;此外,叶肉细胞中较大的细胞外空间提示了NM易位的可能途径。此外,通过接触角测量,NM表现出了改善的润湿扩散。在野外生物试验中,单次喷施NM可提供至少9天的蚜虫侵害保护。施用NM后,植株未出现毒性反应。我们认为,松木树脂基纳米胶束是一种高效、安全、可持续的农业应用替代品。
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引用次数: 2
Silver and copper-oxide nanoparticles prepared with GA3 induced defense in rice plants and caused mortalities to the brown planthopper, Nilaparvata lugens (Stål) 用GA3制备的氧化银和氧化铜纳米颗粒诱导了水稻的防御,并导致棕色稻飞虱Nilaparvata lugens(Stål)死亡
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100428
Amr S. Abou El-Ela , Eric Siaw Ntiri , Asim Munawar , Xiao-Xiao Shi , Chao Zhang , Joko Pilianto , Yadong Zhang , Ming Chen , Wenwu Zhou , Zeng-Rong Zhu

Background

Nanoparticles have been employed as nanopesticides for pest control in agriculture. However, the harmful effects of their chemical synthesis on human and environmental health have resulted in increased use of green synthetic approaches, including the use of plant extracts. The brown planthopper, Nilaparvata lugens (Stål) (BPH), is a severe pest of rice plants (Oryza sativa L.), especially in Asia. It is usually controlled chemically but has developed resistance against many insecticides.

Results

In this study, we synthesized metallic silver (Ag-NPs) and copper-oxide (CuO-NPs) nanoparticles using the exogenous phytohormone, gibberellic acid (GA3), as a reducing agent. We then sprayed them separately on rice plants and BPH together and evaluated their effects on the plants and insects. SEM and TEM images showed that the synthesis was successful, indicated by the sizes (25–60 nm), uniform shape and spherical and cubical structures of Ag-NPs, as well as by the rugby sheet-like of CuO-NPs with lateral sizes of 150–340 nm and thickness of 30–70 nm. Independent applications of the nanoparticles and GA3 on rice plants induced different volatile profiles, of which the highest number emitted was under Ag-NPs, including the highest emission of linalool. Transcriptome analysis showed that Ag-NPs-treated rice plants showed different transcriptome profiles compared to the control, 24 h after treatment, including the upregulation of the linalool synthase gene, genes of plants transcription factors such as WRKY, bHLH and NAC and other genes involved in plant defense responses. In all treatments, the mortality rate of BPH increased with an increase in NPs concentrations over time but was prominent under Ag-NPs treatment. The LC50 values for Ag-NPs and CuO-NPs decreased with an increase in time. Also, the nanoparticles increased the activities of protective enzymes (POD, SOD and CAT), inhibited that of detoxification enzymes (A-CHE, ACP and AKP), and reduced total protein concentrations in the BPH.

Conclusions

These results show that synthesizing nanoparticles using phytohormones may be a safer and environmentally friendly option, which also holds promise for controlling the BPH in rice production.

背景纳米粒子已被用作农业害虫防治的纳米农药。然而,它们的化学合成对人类和环境健康的有害影响导致越来越多地使用绿色合成方法,包括使用植物提取物。褐飞虱是水稻(Oryza sativa l.)的一种严重害虫,尤其是在亚洲。它通常受到化学控制,但对许多杀虫剂产生了耐药性。结果以外源植物激素赤霉素(GA3)为还原剂,合成了金属银(Ag NPs)和氧化铜(CuO NPs)纳米粒子。然后,我们将它们分别喷洒在水稻和BPH上,并评估它们对植物和昆虫的影响。SEM和TEM图像显示,合成是成功的,Ag NPs的尺寸(25–60 nm)、均匀形状、球形和立方体结构,以及CuO NPs的橄榄球片状,横向尺寸为150–340 nm,厚度为30–70 nm。纳米颗粒和GA3在水稻上的独立应用诱导了不同的挥发性特征,其中在Ag纳米颗粒下排放的数量最多,包括芳樟醇的最高排放。转录组分析显示,与对照相比,Ag-NPs处理的水稻植株在处理24小时后表现出不同的转录组特征,包括芳樟醇合酶基因、植物转录因子如WRKY、bHLH和NAC的基因以及其他参与植物防御反应的基因的上调。在所有治疗中,BPH的死亡率随着NPs浓度的增加而增加,但在Ag-NPs治疗下表现突出。Ag NPs和CuO NPs的LC50值随着时间的增加而降低。此外,纳米颗粒增加了前列腺增生中保护酶(POD、SOD和CAT)的活性,抑制了解毒酶(A-CHE、ACP和AKP)的活性并降低了总蛋白浓度。结论利用植物激素合成纳米颗粒可能是一种更安全、环保的选择,对控制水稻生产中的BPH也有前景。
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引用次数: 2
Editorial to the special issue on “similarity assessment of nanoforms: Concepts, tools and case studies of the GRACIOUS project” “纳米形态的相似性评估:GRACIOUS项目的概念、工具和案例研究”特刊的社论
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100443
Wendel Wohlleben , Vicki Stone
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引用次数: 1
Assessment of metals associated with virgin pre-production and freshwater microplastics collected by an Italian river 对意大利一条河流中收集的原始预生产和淡水微塑料相关金属的评估
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100438
Claudia Campanale , Ilaria Savino , Carmine Massarelli , Vito Felice Uricchio

Recently, microplastics (MPs) have been detected in almost all environmental matrices (water, soil, air, biota). Their presence is of concern due to high environmental persistence and their ability to release or bind pollutants. In light of this, the present work aimed to quantify a poorly studied pollutant category associated with MPs: metals. This analysis was conducted on virgin MPs, used as raw materials in the plastics' production process and on environmental MPs taken from the Ofanto river in Southern Italy. The MP samples were initially grouped for colour, shape and ageing and following mineralised by a microwave digestor. The metals and metalloids Pb, Ba, Sb, Sn, Cd, Mo, Se, Zn, Cu, Ni, Co, Cr, Fe, Mn, Ti, Al, V, Ca, K, Mg, Na were subsequently quantified with ICP-MS. All the analysed elements were found on both types of samples (virgin and environmental MPs), with higher concentrations detected on environmental samples (above 14,400 μg/g−1) rather than on pristine ones (above 5000 μg/g−1). Many of these inorganic compounds are probably adsorbed by the surrounding environment, and others are intentionally added during the plastic production process to improve their properties (e.g. additives). Noticeable differences were detected concerning the metal's distribution and amount observed in the two types of MP particles analysed.

Moreover, trace element concentrations were also linked to the colour and shape of the environmental particles analysed. Most abundant levels of metals were quantified on aged black fragments, followed by coloured and transparent fragments and black pellets. Our concluding remarks underline the role of MPs as a vehicle for the transport of metals, with significant differences between the high abundance of these pollutants examined in our particles collected in a freshwater environment and the significantly lower concentrations revealed previously in marine MPs.

近年来,微塑料(MPs)在几乎所有环境基质(水、土壤、空气、生物群)中都被检测到。它们的存在令人关注,因为它们具有高度的环境持久性和释放或结合污染物的能力。鉴于此,目前的工作旨在量化与MPs相关的一种研究较少的污染物类别:金属。这项分析是对未加工的下院议员(用作塑料生产过程中的原材料)和来自意大利南部奥凡托河的环保下院议员进行的。MP样品最初根据颜色,形状和老化进行分组,然后通过微波消化器进行矿化。随后用ICP-MS对金属及类金属Pb、Ba、Sb、Sn、Cd、Mo、Se、Zn、Cu、Ni、Co、Cr、Fe、Mn、Ti、Al、V、Ca、K、Mg、Na进行定量。所有分析的元素都在两种类型的样品(原生和环境MPs)中发现,环境样品(高于14400 μg/g - 1)比原始样品(高于5000 μg/g - 1)检测到的浓度更高。这些无机化合物中有许多可能被周围环境吸附,还有一些是在塑料生产过程中有意添加的,以改善其性能(例如添加剂)。在分析的两种类型的MP颗粒中,检测到有关金属分布和数量的显着差异。此外,微量元素的浓度也与所分析的环境颗粒的颜色和形状有关。最丰富的金属含量是在老化的黑色碎片上量化的,其次是彩色和透明的碎片和黑色颗粒。我们的结束语强调了MPs作为金属运输工具的作用,在我们在淡水环境中收集的颗粒中检测到的高丰度这些污染物与之前在海洋MPs中发现的显著较低浓度之间存在显著差异。
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引用次数: 3
Quasi-SMILES for predicting toxicity of Nano-mixtures to Daphnia Magna 准smile预测纳米混合物对大水蚤的毒性
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100427
Alla P. Toropova , Andrey A. Toropov , Natalja Fjodorova

Quasi-SMILES is an extension of the traditional SMILES. The classic SMILES is a way to represent the molecular structure. The quasi-SMILES is a way to describe all eclectic conditions that are able to affect the activity of a substance or a mixture. Nano-QSAR for prediction of toxicity of Nano-mixtures built up using the database on the corresponding experimental data. Models built up for five random splits of available data in training and validation sets are suggested. The Monte Carlo method of optimization is applied to calculate so-called optimal descriptors. The optimization was carried out with two criteria of predictive potential. These are the so-called index of ideality of correlation (IIC) and correlation intensity index (CII). Applying CII gives the better statistical quality of models for toxicity Nano-mixtures towards Daphnia Magna. The statistical quality of the best model follows the determination coefficients 0.987 (training set) and 0.980 (validation set).

准笑脸是传统笑脸的延伸。经典的SMILES是一种表示分子结构的方法。准smiles是一种描述所有能够影响物质或混合物活性的折衷条件的方法。利用相应的实验数据数据库,建立了用于预测纳米混合物毒性的纳米qsar。建议在训练集和验证集中对可用数据进行五次随机分割建立模型。蒙特卡罗优化方法用于计算所谓的最优描述符。采用预测电位的两个准则进行优化。这就是所谓的相关理想指数(IIC)和相关强度指数(CII)。应用CII可以提高纳米混合物对大水蚤毒性模型的统计质量。最佳模型的统计质量遵循决定系数0.987(训练集)和0.980(验证集)。
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引用次数: 5
Prediction models on biomass and yield of rice affected by metal (oxide) nanoparticles using nano-specific descriptors 基于纳米特异描述符的金属(氧化物)纳米颗粒对水稻生物量和产量影响的预测模型
IF 4.9 3区 环境科学与生态学 Q1 Social Sciences Pub Date : 2022-10-01 DOI: 10.1016/j.impact.2022.100429
Jing Li , Le Yue , Qing Zhao , Xuesong Cao , Weihao Tang , Feiran Chen , Chuanxi Wang , Zhenyu Wang

The use of in silico tools to investigate the interactions between metal (oxide) nanoparticles (NPs) and plant biological responses is preferred because it allows us to understand molecular mechanisms and improve prediction efficiency by saving time, labor, and cost. In this study, four models (C5.0 decision tree, discriminant function analysis, random forest, and stepwise multiple linear regression analysis) were applied to predict the effect of NPs on rice biomass and yield. Nano-specific descriptors (size-dependent molecular descriptors and image-based descriptors) were introduced to estimate the behavior of NPs in plants to appropriately represent the wide space of NPs. The results showed that size-dependent molecular descriptors (e.g., E-state and connectivity indices) and image-based descriptors (e.g., extension, area, and minimum ferret diameter) were associated with the behavior of NPs in rice. The performance of the constructed models was within acceptable ranges (correlation coefficient ranged from 0.752 to 0.847 for biomass and from 0.803 to 0.905 for yield, while the accuracy ranged from 64% to 77% for biomass and 81% to 89% for yield). The developed model can be used to quickly and efficiently evaluate the impact of NPs under a wide range of experimental conditions and sufficient training data.

使用硅工具来研究金属(氧化物)纳米颗粒(NPs)与植物生物反应之间的相互作用是首选的,因为它使我们能够了解分子机制,并通过节省时间、劳动力和成本来提高预测效率。本研究采用C5.0决策树、判别函数分析、随机森林和逐步多元线性回归分析4种模型预测NPs对水稻生物量和产量的影响。引入纳米特异性描述符(大小相关的分子描述符和基于图像的描述符)来估计植物中NPs的行为,以适当地表示NPs的广阔空间。结果表明,大小相关的分子描述符(如E-state和连通性指数)和基于图像的描述符(如扩展、面积和最小雪貂直径)与水稻NPs的行为相关。构建的模型的性能在可接受范围内(生物量的相关系数为0.752 ~ 0.847,产量的相关系数为0.803 ~ 0.905,而生物量的准确度为64% ~ 77%,产量的准确度为81% ~ 89%)。所建立的模型可以在广泛的实验条件和充足的训练数据下快速有效地评估NPs的影响。
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