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An Assessment to Determine the Level of Some Selected Heavy Metals in Rice (Oryza Sativa) Consumed Within Funtua Metropolis 阜土大都市区食用稻米中部分重金属含量的评估
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-05-01 DOI: 10.22034/CRL.2021.272598.1102
D. Arthur, Yakubu Ameenu, Florence Peter, A. Aroh, Chidinma Chinelo Arthur
The concentrations of heavy metals namely; chromium, cadmium, lead and nickel (Cr, Cd, Pb and Ni) were determined from twelve samples of rice(ORYZA SATIVA) , the samples comprises of six foreign samples and six local samples collected from different markets within Funtua Local Government Area in 2019. The samples were digested in aqua region and the level of heavy metals were determined using Atomic Absorption Spectrophotometer AA500FS Model. Concentrations of the heavy metals in the rice samples were in the order Cr > Pb > Ni > Cd. The highest concentration of cadmium was detected in LR1(0.620mg/kg) and LR5(0.626mg/kg) while the lowest was detected in FR5(0.058mg/kg). The lowest concentration of nickel was detected in in FR6(0.060mg/kg) and LR2(0.090mg/kg) while the highest was detected in LR3(0.910mg/kg) and LR4(0.750mg/kg). The highest concentration of lead was detected in FR6(0.650mg/kg) and LR1(0.580mg/kg) while the lowest was detected in LR2(0.199mg/kg) and LR5(0.212mg/kg). The highest concentration of chromium was detected in LR1(0.840mg/kg), LR4(0.840mg/kg) and FR5(0.760mg/kg) while the lowest was detected in LR6(0.050mg/kg) and FR2(0.080mg/kg). The analysis shows that chromium, nickel, and lead concentrations that accumulated almost all the rice samples exceeded the maximum permissible limits prescribed by the World Health Organization guideline as well as the Food And Agricultural Organization standard. Cadmium concentrations were found in almost all the samples to conform with the standards. The higher levels of heavy metals accumulated by the samples may be attributed to the increase in agricultural activities such as the application of phosphate fertilizer, sewage sludge disposal and other anthropogenic activities which deserve further investigations.
重金属的浓度,即;从12份水稻(ORYZA SATIVA)样品中测定了铬、镉、铅和镍(Cr、Cd、Pb和Ni),样品包括2019年在富图阿地方政府区域内不同市场采集的6份外国样品和6份本地样品。样品在水区消化,用原子吸收分光光度计测定重金属含量。水稻样品中重金属含量依次为Cr > Pb > Ni > Cd,其中LR1和LR5镉含量最高(0.620mg/kg), LR5镉含量最低(0.058mg/kg)。镍含量最低的是FR6(0.060mg/kg)和LR2(0.090mg/kg),最高的是LR3(0.910mg/kg)和LR4(0.750mg/kg)。FR6和LR1的铅浓度最高,分别为0.650mg/kg和0.580mg/kg, LR2和LR5的铅浓度最低,分别为0.199mg/kg和0.212mg/kg。铬浓度最高的是LR1(0.840mg/kg)、LR4(0.840mg/kg)和FR5(0.760mg/kg),最低的是LR6(0.050mg/kg)和FR2(0.080mg/kg)。分析结果显示,几乎所有大米样品中铬、镍、铅的含量都超过了世界卫生组织(who)标准和联合国粮食及农业组织(fao)标准规定的最大允许限量。几乎所有样品的镉含量都符合标准。样品中积累的较高重金属水平可能是由于农业活动的增加,如磷肥的施用、污水污泥的处置和其他值得进一步调查的人为活动。
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引用次数: 0
Molecular Docking, Drug likeness Studies and ADMET prediction of Flavonoids as Platelet-Activating Factor (PAF) Receptor Binding 黄酮类化合物与血小板活化因子(PAF)受体结合的分子对接、药物相似性研究及ADMET预测
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-05-01 DOI: 10.22034/CRL.2021.262806.1098
M. Bouachrine, Larbi Elmchichi, A. E. Aissouq, A. Belhassan, H. Zaki, A. Ouammou, T. Lakhlifi
Studies and scientific research indicate that the platelet-activating factor (PAF) is a major pro-inflammatory mediator in the initiation and development of cancer. There is also evidence confirming that PAF is an integral part of suppressing the immune system and promoting the appearance of a malignant tumor. For this reason, it is useful to analyze the molecular docking data of eleven flavonoids derivatives isolated from the active leaf extracted from chromolaena odorata with their anti-PAF activity. As a result, it is evident that the natural product of flavonoids may have a positive effect in the development of both therapeutic and preventive agents for platelet activating factor (PAF) antagonist and suggests potential guidelines for the design of PAF inhibitors. Based on the docking score analysis, drug likeness study, and ADMET prediction. We found that six compounds respect all drug-likeness rules and can be used as a potent molecule for inhibition of platelet activating factor (PAF).
研究和科学研究表明,血小板活化因子(PAF)是癌症发生和发展的主要促炎介质。也有证据证实PAF是抑制免疫系统和促进恶性肿瘤出现的一个组成部分。因此,对从臭毛草活性叶中分离得到的11个类黄酮衍生物的抗paf活性进行分子对接分析是有意义的。由此可见,黄酮类化合物的天然产物可能在血小板活化因子(PAF)拮抗剂的治疗和预防药物的开发中具有积极的作用,并为PAF抑制剂的设计提供了潜在的指导。基于对接评分分析、药物相似性研究和ADMET预测。我们发现六种化合物符合所有药物相似规则,可以作为抑制血小板活化因子(PAF)的有效分子。
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引用次数: 2
In Silico Adsorption of Lomustin anticancer drug on the surface of Boron Nitride nanotube 氮化硼纳米管表面Lomustin抗癌药物的硅吸附
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-05-01 DOI: 10.22034/CRL.2021.290865.1111
M. Afshar, R. R. Khojasteh, R. Ahmadi, M. N. Moghaddam
The present study aimed to assess the adsorption of Lomustin on the single-walled Boron Nitride nanotube which has been examined using Density Functional Theory (DFT), agent in a solvent phase (water) at the B3LYP/6-31G (d) theoretical level. Initially, the structures of Lomustin, Boron Nitride nanotube, and Lomustin complexes with Boron Nitride nanotubes were designed in Gauss View in three different conformers and were optimized geometrically, on which IR and frontier molecular orbital computations were carried out. Adsorption energy values, Gibbs free energy changes (ΔGad), adsorption enthalpy changes (ΔHad), and equilibrium thermodynamic constants were estimated. The results showed that adsorption process was spontaneous, exothermic and non-equilibrium. The values of specific heat capacity and adsorption enthalpy indicate that this nanostructure can be used to build new thermal sensors to measure Lomustin. The results of molecule orbitals estimations showed that energy gap, after drug absorption on the nanotube surface, decreased significantly and the values of chemical hardness and dipole moment were studied after the interaction of drug with adsorbent and the results showed that drug solubility and reactivity, after adsorption on Boron Nitride nanotubes, increased significantly. According to the obtained results for adsorption of Lomustin, this nanostructure can be used as a sensing material in building new electrochemical sensors to measure this drug.
采用密度泛函理论(DFT)对单壁氮化硼纳米管中Lomustin在溶剂相(水)中的吸附进行了研究,并在B3LYP/6-31G (d)理论水平上进行了表征。首先,在高斯视图下设计了三种不同构象的Lomustin、氮化硼纳米管和Lomustin与氮化硼纳米管配合物的结构,并进行了几何优化,在此基础上进行了红外和前沿分子轨道计算。计算了吸附能、吉布斯自由能变化(ΔGad)、吸附焓变化(ΔHad)和平衡热力学常数。结果表明,吸附过程是自发的、放热的、不平衡的。比热容和吸附焓值表明,该纳米结构可用于构建新的热传感器来测量Lomustin。分子轨道估计结果表明,药物在纳米管表面吸附后,能隙明显减小,药物与吸附剂相互作用后,化学硬度和偶极矩值也得到了研究,结果表明,药物在氮化硼纳米管上吸附后,溶解度和反应性显著提高。根据所获得的Lomustin的吸附结果,该纳米结构可以作为传感材料用于构建新的电化学传感器来测量该药物。
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引用次数: 7
Efficient and environmentally sustainable domino protocol for the synthesis of diversified dispiroheterocycles using 1-Butyl-3-methylimidazolium bromide [bmim]Br 利用1-丁基-3-甲基咪唑溴[bmim]Br合成多种双杂环的高效和环境可持续多米诺骨牌方案
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-05-01 DOI: 10.22034/CRL.2021.278900.1107
C. Gill, Makrand V. Kulkarni, C. Jadhav, Amol S. Nipate, Bhausaheb K. Magar
An environmentally benign, simple, and efficient procedure has been developed for the construct of some symmetrical dispiroheterocycles derivatives by the reaction of the variety of 6-amino-2-thiouracil/6-aminouracil /2-amino-1,3,4-thiadiazole, isatins and p-toluidine in the presence of 1-Butyl-3-methylimidazolium bromide ([bmim]Br) as a solvent as well as catalyst at room temperature. In this study, a variety of bis-spiro-indoline-chromenes, pyranopyranes, imidazo-pyridines, pyrido-pyrimidines and pyridines were obtained with excellent yields within short reaction time and without chromatographic separation. Furthermore, the green catalytic system can be recycled specific times with no decreases in yields and reaction rates.
以1-丁基-3-甲基咪唑溴([bmim]Br)为溶剂和催化剂,在室温条件下,通过多种6-氨基-2-硫脲嘧啶/6-氨基-2-硫脲嘧啶/2-氨基-1,3,4-噻二唑、异星苷和对甲苯胺的反应,建立了一种环境友好、简单高效的合成对称双杂环衍生物的方法。本研究在短反应时间内,无需色谱分离,获得了多种双螺-吲哚-铬、吡喃吡喃、咪唑-吡啶、吡啶-嘧啶和吡啶,产率高。此外,绿色催化体系可以在不降低收率和反应速率的情况下循环使用特定次数。
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引用次数: 0
Docking Simulations and Virtual Screening to find Novel Ligands for T3S in Yersinia pseudotuberculosis YPIII, A drug target for type III secretion (T3S) in the Gram-negative pathogen Yersinia pseudotuberculosis 伪结核耶尔森菌III型分泌(T3S)药物靶点YPIII对接模拟和虚拟筛选寻找新型T3S配体
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-05-01 DOI: 10.22034/CRL.2021.254804.1088
E. Edache, Uzairu Adamu, P. Mamza, Gideon Adamu Shallangwa
In the Gram-negative pathogen Yersinia pseudotuberculosis and Chlamydia, the aggregate use of molecular docking, molecular dynamic simulations, and ADMET was successfully used to develop salicylidene acyl hydrazides as type III secretion (T3S) inhibitors. The molecular docking analysis was carried out on CMP's simulated protein, which helped to correlate amino acid associations with the ligand. The review of molecular dynamics simulations showed that the CMP protein A-chain was stable at and above 100ps concerning temperature, total energy, and kinetic energy. Virtual screening was performed to distinguish the new inhibitors depending on pharmacophore modeling and molecular docking. Based on the Rerank score fitness feature, ten top-ranked compounds were discovered. In keeping with the reference ranges, ADME tests were carried out on compounds retrieved from simulated sampling. For our further drug design, all the findings will give us more useful evidence.
在革兰氏阴性病原菌假结核耶尔森菌和衣原体中,综合利用分子对接、分子动力学模拟和ADMET成功地开发了水杨基酰肼作为III型分泌(T3S)抑制剂。对CMP模拟蛋白进行了分子对接分析,这有助于将氨基酸与配体的关联联系起来。分子动力学模拟表明,CMP蛋白a链在温度、总能量和动能均在100ps及以上时是稳定的。通过药效团建模和分子对接进行虚拟筛选以区分新的抑制剂。基于Rerank得分健身特征,发现了10个排名最高的化合物。为了与参考范围保持一致,对从模拟样品中提取的化合物进行了ADME测试。对于我们进一步的药物设计,所有的发现都将为我们提供更多有用的证据。
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引用次数: 6
Pyrolysis of plastic wastes as a way of obtaining valuable chemical raw materials (n1) 塑料废弃物热解获得有价值的化工原料(n1)
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-04-01 DOI: 10.22034/CRL.2021.272418.1101
Krystian Leski, Gabriela Berkowicz-Płatek
This article presents a mini-review of the literature on the laboratory scale pyrolysis of selected plastic waste. Among the various types of polymer materials polyolefins (PE and PP), as well as polystyrene (PS), polyoxymethylene (POM), and polyvinyl chloride (PVC), were selected. The paper highlights valuable compounds and chemical raw materials can be obtained by pyrolyzing the waste polymers.
这篇文章提出了一个小型综述的文献在实验室规模热解选定的塑料废物。在各种类型的高分子材料中,选择了聚烯烃(PE和PP),以及聚苯乙烯(PS),聚甲醛(POM)和聚氯乙烯(PVC)。重点介绍了通过热解废聚合物可得到有价值的化合物和化工原料。
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引用次数: 4
Computational techniques in designing a series of 1,3,4-trisubstituted pyrazoles as unique hepatitis C virus entry inhibitors 设计一系列1,3,4-三取代吡唑作为独特丙型肝炎病毒进入抑制剂的计算技术
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-04-01 DOI: 10.22034/CRL.2021.248725.1079
S. Ejeh, A. Uzairu, G. Shallangwa, S. Abechi
In this study, we developed a QSAR model for studying the antiviral activity of 1,3,4-trisubstituted pyrazoles derivatives on hepatitis C virus infected in human HuH-7 cell lines. We employed random analysis to split the data sets. Statistically robust model was generated with R2, Q2 and R2pred values of 0.777, 0.731 and 0.774 respectively. The reliability of this model was confirmed by acceptable validation parameters, and this model also fulfilled the Golbraikh and Tropsha standard model conditions. Through the evaluation of selected molecular descriptors we observed that, topological charge index of order 4 (GGI4), mean topological charge index of order 1 (JGI1), octanol water partition coefficient (XlogP), 3D topological distance based autocorrelation lag5/weighted by polarizabilities (TDB5p) and total molecular surface area (FPSA-2) are the molecular properties determining biological activities of the study compounds, which shed light on the vital features that aid in the design of unique potent hepatitis C virus entry inhibitors using computer-aided drug design tools.
在本研究中,我们建立了一个QSAR模型来研究1,3,4-三取代吡唑衍生物对人hh -7细胞株感染的丙型肝炎病毒的抗病毒活性。我们采用随机分析来分割数据集。R2、Q2和R2pred值分别为0.777、0.731和0.774,产生具有统计稳健性的模型。通过可接受的验证参数验证了该模型的可靠性,该模型也满足Golbraikh和Tropsha标准模型条件。通过对所选分子描述符的评价,我们发现4阶拓扑电荷指数(GGI4)、1阶平均拓扑电荷指数(JGI1)、辛醇水分配系数(XlogP)、基于三维拓扑距离的自相关lag5/极化加权(TDB5p)和总分子表面积(FPSA-2)是决定所研究化合物生物活性的分子性质。它揭示了使用计算机辅助药物设计工具设计独特的有效丙型肝炎病毒进入抑制剂的重要特征。
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引用次数: 3
Co-production of parabiotic metabolites by Lactobacillus acidophilus LA5 and Bifidobacterium animalis subsp. lactis BB12 in dairy effluents 嗜酸乳杆菌LA5与动物双歧杆菌亚群共生代谢物的研究。乳业废水中含有BB12
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-04-01 DOI: 10.22034/CRL.2021.253739.1086
S. Amiri, M. R. Bari, M. A. Khaledabad, R. Mokarram, M. S. Khiabani
In this study, the effects of initial pH (5 − 7), temperature (30 − 38 ◦C) and incubation time (12 − 48 h), as well as yeast extract and free linoleic acid concentrations, respectively (0 – 4 %) and (0 − 400 µL), on the co-production of conjugated linoleic acid (CLA), exopolysaccharides (EPSs) and bacteriocins (BACs) by Lactobacillus acidophilus LA5 and Bifidobacterium animalis subsp. lactis BB12 and their biomass in cheese whey and milk permeate were evaluated. The results showed that biomass, CLA, EPSs and BACs activity ranged Log 0.80 - Log 8.67 g.L-1, 3.08-107.95 µg.mL-1, 107.75-351.92 mg.L-1 and 9.29-14.62 mm, respectively. Yeast extract concentration was the only factor with the positive significant effect on biomass and parabiotic metabolites i.e. its increasing caused to an increase in both of them (p <0.05). The temperature significantly affected the production of biomass and CLA; its increasing resulted in increasing both (p <0.05). The initial pH had significant, but different, effects on EPSs and BACs production (p <0.05) i.e. EPSs and BACs production decreased and increased, respectively, as a result of increased initial pH. Increasing free linoleic acid concentration from 0 up to 400 µL led to increased CLA biosynthesis. Higher biomass, EPSs and BACs are produced in cheese whey, compared with milk permeate, but CLA produced in milk permeate was higher than that obtained in cheese whey. B. animalis BB12 produced more biomass, CLA and EPSs in comparison to L. acidophilus LA5. However, these probiotics had no statistical difference in terms of producing BACs. This work successfully demonstrated the co-production potential of CLA, EPSs and BACs by two commercial probiotics in dairy effluents.
在本研究中,初始pH(5 ~ 7)、温度(30 ~ 38℃)和孵育时间(12 ~ 48 h),以及酵母提取物和游离亚油酸浓度(0 ~ 4%)和(0 ~ 400µL)对嗜酸乳杆菌LA5和动物双歧杆菌共同生产共轭亚油酸(CLA)、外多糖(EPSs)和细菌素(BACs)的影响。测定干酪乳清和透乳中乳酸菌BB12及其生物量。结果表明:生物量、CLA、eps和BACs活性为Log 0.80 ~ Log 8.67 g。L-1, 3.08-107.95µg;ml - 1,107.75 -351.92 mg。L-1和9.29 ~ 14.62 mm。酵母浸膏浓度是唯一对生物量和共生代谢物有显著正影响的因素,即酵母浸膏浓度的增加导致生物量和共生代谢物的增加(p <0.05)。温度对生物量和CLA产量影响显著;其升高导致两者均升高(p <0.05)。初始pH对EPSs和BACs产量有显著但不同的影响(p <0.05),即随着初始pH的增加,EPSs和BACs产量分别减少和增加。游离亚油酸浓度从0增加到400µL,导致CLA生物合成增加。与乳透液相比,乳透液产生的生物量、eps和BACs较高,但CLA高于乳透液。与嗜酸乳杆菌LA5相比,B. animalis BB12产生了更多的生物量、CLA和eps。然而,这些益生菌在产生BACs方面没有统计学差异。这项工作成功地证明了两种商业益生菌在奶牛流出物中联合生产CLA、eps和BACs的潜力。
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引用次数: 12
Studies on Some Mechanical Properties of PVC-Wood Fiber Composite pvc -木纤维复合材料力学性能研究
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-04-01 DOI: 10.22034/CRL.2021.242652.1076
D. Arthur, J. N. Akoji, Greatman C. Okafor, K. Abdullahi, A. Samira, Abdullahi, C. Mgbemena, A. Aroh, E. Uwaiya, Danzarami Amagai, Danlami
In this study some mechanical properties of PVC-Wood fibre composite were investigated. The wood fibre was gotten from a mahogany tree. The sample was moulded and shaped at a temperature of 150oC using a hadraulic hot press and pressure of 3bar for 5mins and the mechanical properties were studied base on varying the wood fibre contents from 0% to 50%. The hardness test carried out using the durometer hardness tester show a decrease in the hardness of the composite as the wood fibre is varied from 0%, 10%, 20%, 30% 40% and 50% and the impact strength of the composite decreases as well in that order. The tensile strength conducted using the Mensato Tensometer show a decrease at 10% wood fibre, while an increase in the wood fibre to 20% show an increase in the tensile strength on further addition of the wood fibre a decrease is noticed. This decrease in tensile strength decreases the strain of the PVC-wood fibre composite and hence increasing the modulus of elasticity of the PVC-wood fibre composite as the wood fibre is been added.
对pvc -木纤维复合材料的力学性能进行了研究。木材纤维是从一棵红木树上提取的。样品在150℃的温度下,用液压热压机在3bar的压力下成型5min,并在木纤维含量从0%到50%的变化基础上研究了机械性能。用硬度计对复合材料进行硬度测试,结果表明,木纤维含量为0%、10%、20%、30%、40%和50%时,复合材料的硬度降低,复合材料的冲击强度也依次降低。使用Mensato张力计进行的拉伸强度显示,当木材纤维含量增加到10%时,拉伸强度下降,而木材纤维含量增加到20%时,拉伸强度增加,进一步添加木材纤维时,拉伸强度会下降。这种抗拉强度的降低降低了pvc -木纤维复合材料的应变,因此随着木纤维的加入,增加了pvc -木纤维复合材料的弹性模量。
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引用次数: 4
Plant Mediated Synthesis of CdS Nanoparticles, their characterization and application for photocatalytic degradation of toxic organic dye 植物介导合成CdS纳米颗粒及其表征及其在光催化降解有毒有机染料中的应用
IF 1.8 3区 管理学 Q2 INFORMATION SCIENCE & LIBRARY SCIENCE Pub Date : 2021-04-01 DOI: 10.22034/CRL.2021.262754.1097
Amir Ullah, Sufian Rasheed, Irfan Ali, N. Ullah
In this work, environmentally friendly and cheap method for the synthesis of CdS nanoparticles for the first time using extract of Dicliptera Roxburghiana is presented. The present method is found to be reproducible and rapid. Structural analysis is carried out by UV-visible, FTIR, XRD, EDX, SEM, and TEM. XRD and TEM analysis revealed that the nanoparticles have spherical shape and size in the range of 2.5-8nm. FTIR studies showed the presence of functional groups which belong to the phytochemicals of plant extract that surrounds the nanoparticle preventing them from agglomeration. Thus the prepared CdS NPs exhibit excellent stability even after 2 months. The optical band gap was calculated using Tauc Plot i.e. 3.31 eV. Their activity as photocatalysts against an aqueous solution of methylene blue degradation under solar irradiation in a comparative manner is also reported and the particle has a % degradation of 87.12% in just 120 minutes under solar light irradiation.
本文首次提出了一种以刺梨提取物为原料合成纳米CdS的环保、廉价的方法。本方法重现性好,速度快。结构分析采用uv -可见,FTIR, XRD, EDX, SEM和TEM。XRD和TEM分析表明,纳米颗粒呈球形,粒径在2.5 ~ 8nm之间。红外光谱研究表明,纳米颗粒周围存在属于植物提取物的植物化学物质的官能团,防止它们团聚。因此制备的CdS NPs即使在2个月后也表现出优异的稳定性。利用Tauc图计算光学带隙,即3.31 eV。在太阳光照射下,它们作为光催化剂对亚甲基蓝水溶液降解的活性也有比较的报道,在太阳光照射下,该颗粒在120分钟内的降解率为87.12%。
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引用次数: 9
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