Aqueous solution

水溶液
  • 文章类型: Journal Article
    羧酸根阴离子的受体有许多可能的生物医学应用,包括模仿万古霉素组的抗生素。然而,在水中结合羧酸盐,生物溶剂,由于这些极性阴离子的亲水性,因此具有很大的挑战性。在这里我们报告,第一次,具有电荷中性结合位点的合成受体识别水中的简单羧酸盐,例如乙酸盐和甲酸盐。受体被聚阴离子侧链溶解,值得注意的是,不排除阴离子结合。三环结构的特征是通过聚芳桥连接的两个相同的结合位点,能够折叠成闭合,扭曲的构象。假设这种折叠是为了预先组织阴离子识别的结构,模拟产生许多蛋白质结合位点的过程。该结构适于细化成具有选择性识别生物相关羧酸盐的潜力的封闭结构。
    Receptors for carboxylate anions have many possible biomedical applications, including mimicry of the vancomycin group of antibiotics.  However, binding carboxylates in water, the biological solvent, is highly challenging due to the hydrophilicity of these polar anions.  Here we report, for the first time, the recognition of simple carboxylates such as acetate and formate in water by synthetic receptors with charge-neutral binding sites.  The receptors are solubilised by polyanionic side-chains which, remarkably, do not preclude anion binding.  The tricyclic structures feature two identical binding sites linked by polyaromatic bridges, capable of folding into closed, twisted conformations.  This folding is hypothesised to preorganise the structures for anion recognition, mimicking the process which generates many protein binding sites.  The architecture is suitable for elaboration into enclosed structures with potential for selective recognition of biologically relevant carboxylates.
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  • 文章类型: Journal Article
    抗生素和抗肿瘤药物的过度使用导致有机药物对水体的污染越来越广泛,造成有害的生态影响,抗生素和抗肿瘤药物降解的有效和可持续方法引起了人们的关注。这里,合成了杂化纳米材料(g-C3N4@Fe/Pd),并用于去除一种名为米托蒽醌(MTX)的抗生素和抗肿瘤药物,去除率为92.0%,MTX去除能力为450mg/g。暴露于混合材料后,MTX水溶液逐渐从深蓝色变为较浅,和残留溶液的LC-UV结果表明,在用g-C3N4@Fe/Pd去除后,在3.0分钟(MTX:13.2分钟)出现新峰,中间产物的同时检测表明g-C3N4@Fe/Pd确实降解MTX。详细的质谱分析表明,核质量比从445.2(M+1H)下降到126.0(M+1H),169.1(M+1H),239.2(M+1H),267.3(M+1H),285.2(M+1H),371.4(M+1H)和415.2(M+1H),所有降解产物(126.0(M+1H))的最大比例(5.63%)是MTX毒性的40-100倍。提出了去除和降解米托蒽醌的机理。此外,实际水实验证实,g-C3N4@Fe/Pd对MTX的最大去除能力高达492.4mg/g(0.02g/L,10ppm)。
    The overuse of antibiotics and antitumor drugs has resulted in more and more extensive pollution of water bodies with organic drugs, causing detrimental ecological effects, which have attracted attention towards effective and sustainable methods for antibiotics and antitumor drug degradation. Here, the hybrid nanomaterial (g-C3N4@Fe/Pd) was synthesized and used to remove a kind of both an antibiotic and antitumor drug named mitoxantrone (MTX) with 92.0% removal efficiency, and the MTX removal capacity is 450 mg/g. After exposing to the hybrid material the MTX aqueous solution changed color from dark blue to lighter progressively, and LC-UV results of residual solutions show that a new peak at 3.0 min (MTX: 13.2 min) after removal by g-C3N4@Fe/Pd appears, with the simultaneous detection of intermediate products indicating that g-C3N4@Fe/Pd indeed degrades MTX. Detailed mass spectrometric analysis suggests that the nuclear mass ratio decreased from 445.2 (M+1H) to 126.0 (M+1H), 169.1 (M+1H), 239.2 (M+1H), 267.3 (M+1H), 285.2 (M+1H), 371.4 (M+1H) and 415.2 (M+1H), and the maximum proportion (5.63%) substance of all degradation products (126.0 (M+1H)) is 40-100 times less toxic than MTX. A mechanism for the removal and degradation of mitoxantrone was proposed. Besides, actual water experiments confirmed that the maximum removal capacity of MTX by g-C3N4@Fe/Pd is up to 492.4 mg/g (0.02 g/L, 10 ppm).
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  • 文章类型: Journal Article
    由于水的介电强度高,在水相中以可控的方式释放等离子体是极其困难的。通过使用光刻定义的电极和金属/介电纳米颗粒,我们创建电场增强,使等离子体放电在液体电解质在显著降低的施加电压。这里,我们使用高压(10-30kV)纳秒脉冲(20ns)放电在水相中产生瞬态等离子体。曲率半径约为10μm的电极几何形状,300μm的间隙距离,估计的5×106V/cm的场强导致等离子体放电阈值从28kV降低到23kV。第二结构具有约5μm的曲率半径和100μm的间隙距离具有9×106V/cm的估计场强,但表现不如较大间隙电极。由于水/金界面的电场增强,在溶液中添加金纳米颗粒(20nm直径)进一步将等离子体放电的阈值降低到17kV,估计的E场增强为4倍。添加用Pt装饰的氧化铝纳米颗粒将等离子体放电阈值降低至14kV。在这种情况下,在氧化铝的交界处出现了一个三相点,Pt,和水导致三个不同的介电常数在一个单一的位置共存。这导致明显的电场集中,有效地帮助在降低的电压下引发等离子体放电。为了对电场增强机理有更全面和详细的了解,我们进行了严格的数值模拟。这些模拟为光刻定义的电极之间的复杂相互作用提供了有价值的见解,纳米粒子,以及由此产生的电场分布,使我们能够提取关键信息并优化设计参数以提高性能。
    Because of the high dielectric strength of water, it is extremely difficult to discharge plasma in a controllable way in the aqueous phase. By using lithographically defined electrodes and metal/dielectric nanoparticles, we create electric field enhancement that enables plasma discharge in liquid electrolytes at significantly reduced applied voltages. Here, we use high voltage (10-30 kV) nanosecond pulse (20 ns) discharges to generate a transient plasma in the aqueous phase. An electrode geometry with a radius of curvature of approximately 10 μm, a gap distance of 300 μm, and an estimated field strength of 5 × 106 V/cm resulted in a reduction in the plasma discharge threshold from 28 to 23 kV. A second structure had a radius of curvature of around 5 μm and a gap distance of 100 μm had an estimated field strength of 9 × 106 V/cm but did not perform as well as the larger gap electrodes. Adding gold nanoparticles (20 nm diameter) in solution further reduced the threshold for plasma discharge to 17 kV due to the electric field enhancement at the water/gold interface, with an estimated E-field enhancement of 4×. Adding alumina nanoparticles decorated with Pt reduced the plasma discharge threshold to 14 kV. In this scenario, the emergence of a triple point at the juncture of alumina, Pt, and water results in the coexistence of three distinct dielectric constants at a singular location. This leads to a notable concentration of electric field, effectively aiding in the initiation of plasma discharge at a reduced voltage. To gain a more comprehensive and detailed understanding of the electric field enhancement mechanism, we performed rigorous numerical simulations. These simulations provide valuable insights into the intricate interplay between the lithographically defined electrodes, the nanoparticles, and the resulting electric field distribution, enabling us to extract crucial information and optimize the design parameters for enhanced performance.
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  • 文章类型: Journal Article
    在一系列光谱中经常观察到同位点,但是他们的解释仍然有争议,例如连续体模型是否可以产生等视觉点。为了回答这个问题,用拉曼比光谱分离了不同离子水溶液中具有连续分布结构的水合壳的拉曼光谱,并成功地观察到了一个等速点。我们的实验结果表明,连续体模型确实可以产生等吸收点。为了加深对等症状点的理解,我们计算拉曼光谱的第一矩,并进行分子动力学(MD)模拟。实验和理论发现均表明,升高的温度会导致水合壳内水分子之间的无序增加。
    Isosbestic point is often observed in a series of spectra, but their interpretation is still controversial, such as whether the continuum model can produce an isosbestic point. In order to answer this question, the Raman spectra of hydration shell with continuous distribution structure in different ionic aqueous solutions were separated by Raman ratio spectra, and an isosbestic point was successfully observed. Our experimental results show that the continuum model can indeed produce the isosbestic point. In order to deepen the understanding of the isosbestic point, we calculate the first moment of the Raman spectra and conduct molecular dynamics (MD) simulations. Both experimental and theoretical findings indicate that elevated temperatures lead to increased disorder among water molecules within the hydration shell.
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  • 文章类型: Journal Article
    通过热解从农业废物(棕榈仁壳)产生的碳质材料可以是一种合适的低成本吸附剂,可广泛用于放射性废水处理。在这种情况下,生产的生物炭(标记为PBC)及其亚驱动的硫酸和氧化锌活性炭(标记为PBC-SA,分别使用PBC-Zn)作为吸附剂从水溶液中吸附铀。各种分析技术,包括SEM(扫描电子显微镜),EXD(X射线衍射),BET(Brunauer-Emmett-Teller),傅里叶变换红外光谱(FTIR),和Zeta潜力,提供对材料特性的见解。动力学和等温线研究表明,使用三种吸附剂的吸附过程与伪二级动力学和Langmuir等温线模型很好地拟合。拾取的数据显示平衡时间为60分钟,PBC的最大吸附容量分别为9.89、16.8和21.9mg/g,PBC-SA,和PBC-Zn,这反映了对氧化锌的最高亲和力,活性生物炭,在三种吸附剂中,从放射性废水中提取铀。吸附热力学声明,U(VI)的吸附是放热的,自发的,可行的过程。使用1.0MCH3COONa乙酸钠溶液洗脱约92%的载铀PBC-Zn吸附剂,并且吸附剂在5个连续的吸附/解吸循环中表现出适当的稳定性。
    Carbonaceous materials produced from agricultural waste (palm kernel shell) by pyrolysis can be a proper type of low-cost adsorbent for wide uses in radioactive effluent treatment. In this context, the as-produced bio-char (labeled as PBC) and its sub-driven sulfuric acid and zinc oxide activated carbons (labeled as PBC-SA, and PBC-Zn respectively) were employed as adsorbents for uranium sorption from aqueous solution. Various analytical techniques, including SEM (Scanning Electron Microscopy), EXD (X-ray Diffraction), BET (Brunauer-Emmett-Teller), FTIR (Fourier Transform Infrared Spectroscopy), and Zeta potential, provide insights into the material characteristics. Kinetic and isotherm investigations illuminated that the sorption process using the three sorbents is nicely fitted with Pseudo-second-order-kinetic and Langmuir isotherm models. The picked data display that the equilibrium time was 60 min, and the maximum sorption capacity was 9.89, 16.8, and 21.9 mg/g for PBC, PBC-SA, and PBC-Zn respectively, which reflects the highest affinity for zinc oxide, activated bio-char, among the three adsorbents, for uranium taking out from radioactive wastewater. Sorption thermodynamics declare that the sorption of U(VI) is an exothermic, spontaneous, and feasible process. About 92% of the uranium-loaded PBC-Zn sorbent was eluted using 1.0 M CH3COONa sodium ethanoate solution, and the sorbent demonstrated proper stability for 5 consecutive sorption/desorption cycles.
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  • 文章类型: Journal Article
    背景:在自然环境中滥用抗生素残留已成为严重的公共卫生和生态环境问题。其生化和生理后果的副作用是严重的。为了避免水中的抗生素污染,实施通用和快速的抗生素残留检测技术对于维持水生环境中的抗生素安全至关重要。表面增强拉曼光谱(SERS)为识别小分子成分提供了强大的工具,具有高灵敏度和选择性。然而,由于混合物中共存的成分,从SERS光谱中鉴定纯抗生素仍然是一个挑战。
    目的:在本研究中,提出了一种基于深度学习算法的SERS光谱智能分析模型,用于快速识别混合物中的抗生素成分并定量测定这些成分的比例。
    方法:我们建立了含有环丙沙星三种抗生素残留的水环境体系,多西环素,和左氧氟沙星.为了促进SERS光谱抗生素混合物数据集的定性和定量分析,我们开发了一种集成卷积神经网络(CNN)和非负弹性网络(NN-EN)方法的计算框架。
    结果:实验结果表明,CNN模型的识别准确率为98.68%,对Shapley加法扩张(SHAP)的解释分析表明,我们的模型可以特别关注特征峰分布。相比之下,NN-EN模型可以准确量化混合物中各组分的比例。
    结论:将由CNN辅助的SERS技术与NN-EN模型相结合,在快速鉴定和高精度定量水生环境中的抗生素残留方面具有巨大潜力。
    BACKGROUND: Abusing antibiotic residues in the natural environment has become a severe public health and ecological environmental problem. The side effects of its biochemical and physiological consequences are severe. To avoid antibiotic contamination in water, implementing universal and rapid antibiotic residue detection technology is critical to maintaining antibiotic safety in aquatic environments. Surface-enhanced Raman spectroscopy (SERS) provides a powerful tool for identifying small molecular components with high sensitivity and selectivity. However, it remains a challenge to identify pure antibiotics from SERS spectra due to coexisting components in the mixture.
    OBJECTIVE: In this study, an intelligent analysis model for the SERS spectrum based on a deep learning algorithm was proposed for rapid identification of the antibiotic components in the mixture and quantitative determination of the ratios of these components.
    METHODS: We established a water environment system containing three antibiotic residues of ciprofloxacin, doxycycline, and levofloxacin. To facilitate qualitative and quantitative analysis of the SERS spectra antibiotic mixture datasets, we developed a computational framework integrating a convolutional neural network (CNN) and a non-negative elastic network (NN-EN) method.
    RESULTS: The experimental results demonstrate that the CNN model has a recognition accuracy of 98.68%, and the interpretation analysis of Shapley Additive exPlanations (SHAP) shows that our model can specifically focus on the characteristic peak distribution. In contrast, the NN-EN model can accurately quantify each component\'s ratio in the mixture.
    CONCLUSIONS: Integrating the SERS technique assisted by the CNN combined with the NN-EN model exhibits great potential for rapid identification and high-precision quantification of antibiotic residues in aquatic environments.
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  • 文章类型: Journal Article
    由于分子的自发运动,液-液生物聚合物分离相分离发生在水溶液中。这种类型的分离的效率可以在变量如pH,温度,分子浓度对其动力学影响最小。最近,对生物聚合物及其分离相分离相关分子分层的应用的兴趣增加了,特别是在食品工业中,这些方法允许纯化特定颗粒和包埋微胶囊。本综述全面考察了调节液-液生物聚合物水溶液分离相分离的理论机制,可能对该程序产生影响的因素,以及这种特殊分离方法在食品科学中的重要性。这些讨论要点还解决了与在食品应用中使用分离相分离有关的现有困难和未来可能性。这凸显了设计新型功能食品和增强食品特性的潜力。
    As a result of the spontaneous movement of molecules, liquid-liquid biopolymer segregative phase separation takes place in an aqueous solution. The efficacy of this type of separation can be optimized under conditions where variables such as pH, temperature, and molecular concentrations have minimal impact on its dynamics. Recently, interest in the applications of biopolymers and their segregative phase separation-associated molecular stratification has increased, particularly in the food industry, where these methods permit the purification of specific particles and the embedding of microcapsules. The present review offers a comprehensive examination of the theoretical mechanisms that regulate the liquid-liquid biopolymers aqueous solution segregative phase separation, the factors that may exert an impact on this procedure, and the importance of this particular separation method in the context of food science. These discussion points also address existing difficulties and future possibilities related to the use of segregative phase separation in food applications. This highlights the potential for the design of novel functional foods and the enhancement of food properties.
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  • 文章类型: Journal Article
    在本研究中,我们合成了一种含有席夫碱的氨基苯甲酸(化合物1),并通过单晶X射线研究证实了其结构。重要的是,化合物1以两性离子形式结晶,具有阴离子羧酸盐基团(-COO-)和阳离子亚胺基团(-C=NH+-)。化合物1由于其在固态时的两性离子特征而高度溶于水。有趣的是,化合物1用作比率荧光探针,用于在没有有机共溶剂的水溶液中选择性检测Al3离子。它还可以通过在365nm紫外光下视觉颜色变化为蓝绿色荧光来检测Al3离子。化合物1与Al3离子之间的缔合常数估计为1.67×104M-1。经计算,水中Al3离子的最低检测限为7.05×10-8M。化合物1与Al3+离子的组合显示了RAW264.7鼠巨噬细胞系细胞核的荧光成像潜力。此外,由于其实际适用性,该传感模型被开发为基于纸张的传感器\'\'测试套件\'\'。
    In the present study, we have synthesized an aminobenzoic acid containing Schiff base (compound 1) and its structure was confirmed through single crystal X-ray study. Importantly, the compound 1 crystallizes in the zwitterionic form, with an anionic carboxylate group (-COO-) and a cationic iminium group (-C = NH+-). The compound 1 is highly soluble in water due to its zwitterionic feature in the solid state. Interestingly, compound 1 acts as a ratiometric fluorescent probe for the selective detection of Al3+ ion in aqueous solution without organic cosolvent. It can also detect Al3+ ion by visual colour change to bluish-green fluorescence under 365 nm UV light. The association constant between compound 1 with Al3+ ion was estimated to be 1.67 × 104 M-1. The lowest detection limit for Al3+ ion was calculated to be 7.05 × 10-8 M in water. Compound 1 in combination with Al3+ ion demonstrated fluorescent imaging potential of the nucleus of in RAW 264.7 murine macrophage cell line. In addition, the sensing model is developed as paper based sensor \'\'Test Kit\' \'for its practical applicability.
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  • 文章类型: Journal Article
    如今,除草剂造成的水污染是全球关注的问题。百草枯(PQ)(1-1-甲基-4,4-二吡啶二氯化物)是一种高性能芯片,它被广泛用于从农业和自然生态系统中去除杂草。PQ由于其在水中的高溶解度而可能污染水源。一些国家已经报道了PQ中毒效应导致的人类死亡。因此,PQ的副作用是一个全球性的挑战。本研究旨在研究植物提取物对PQ的生物修复,作为一个低成本的,无毒,和天然吸收剂在不同条件下从水溶液中去除PQ。在这方面,普通马齿轮轴的提取物(马齿轮轴),花店kalanchoe(kalanchoeblossfeldiana),和玉器植物(crassulaportulaca)被用作吸附剂。为此,各种参数的影响,如接触时间,PQ溶液的初始浓度,温度,pH值,并研究了提取物的量。本研究结果表明,马齿轮轴提取物和马齿轮轴提取物的吸附效率高于K。blossfeldiana提取物。在pH=11,吸附剂含量为0.2mgL-1时,PQ去除率最高(79.04%)。植物提取物在30分钟时观察到最高的PQ去除量,和15分钟的k。blossfeldiana提取物。此外,表面吸收能力随着植物提取物浓度的增加而增加,PQ浓度随温度升高而降低。最后,可以得出结论,植物提取物可以帮助从水溶液中去除PQ。
    在许多国家,百草枯(PQ)等除草剂对原水的污染已成为一个问题。已知PQ为化学污染物,其在除草剂中具有高的水溶解度(620g/l),具有高的毒性。尽管一些国家禁止使用PQ,由于价格低廉,在低浓度下的高效率,百草枯高速抑制杂草,今天,这种除草剂被用来控制世界上各种各样的杂草。近年来,已经研究了从环境中去除PQ的各种方法。其中一些方法相对耗时且昂贵,大量的污泥和有害的副产品。在上述方法中,吸附过程操作简单,低成本工艺,从水中去除PQ效率高。最近,已经开发了许多吸附剂来从水溶液中去除PQ,包括生物炭,活性炭,壳聚糖和海藻酸盐,粘土,稻壳,还有膨润土.植物提取物可被称为从水中去除PQ的新型吸附剂材料,作为一种生态友好且经济的方法。因此,在这项研究中,我们研究了植物提取物作为吸附剂从水中去除PQ的性能。
    Nowadays, water pollution by herbicides is known as a global concern. Paraquat (PQ) (1-1-methyl-4,4-bi-pyridinium-dichloride) is a chip with high performance, which is being widely used herbicide to remove weeds from agricultural and natural ecosystems. PQ can contaminate water sources due to its high solubility in water. Human death by poisoning effects of PQ has been reported in several countries. Therefore, the side effects of PQ are a global challenge. This study aimed to investigate the bioremediation of PQ by plant extracts, as a low-cost, nontoxic, and natural absorbent to remove PQ from aqueous solutions in different conditions. In this regard, the extracts of common purslane (portulaca oleracea), florist kalanchoe (kalanchoe blossfeldiana), and jade plant (crassula portulaca) were used as adsorbents. For this purpose, the effect of various parameters such as contact time, initial concentration of PQ solution, temperature, pH, and amount of extract was investigated. The results of present study showed that P. oleracea extract and C. portulaca extracts have higher adsorption efficiency than k. blossfeldiana extract. The highest PQ removal was obtained by P. oleracea extract (79.04%) and C. portulaca extract (78.72%) at pH = 11, the adsorbent content of 0.2 mg L-1, and the lowest absorption of PQ (50.6%) was obtained by K. blossfeldiana extract. The highest PQ removal by plant extract was observed at 30 min for P. oleracea and C. portulaca, and at 15 min for k. blossfeldiana extract. Moreover, surface absorption capacity increased with increasing plant extract concentration, decreasing PQ concentration and decreased with increasing temperature. Finally, it can be concluded that plant extract can help to remove PQ from the aqueous solution.
    Contamination of raw water with herbicides such as paraquat (PQ) is recognized as a problem in many countries. PQ is known as a chemical contaminant that is highly toxic with high water solubilities (620 g/l) among herbicides. Despite the ban on the use of PQ in some countries, due to its low price, high efficiency at low concentrations, and high speed of paraquat in suppressing weeds, today this herbicide is used to control a wide range of weeds in the world. In recent years, various approaches to removing PQ from the environment have been studied. Some of these methods are relatively time-consuming and expensive, with large amounts of sludge and hazardous by-products. Among the mentioned methods, the adsorption process shows the simplicity of operation, low-cost process, and high efficiency in removing PQ from water. Recently, many adsorbents have been developed to remove PQ from aqueous solutions, including biochar, activated carbon, chitosan and alginate, clay, rice husk, and bentonite. Plant extracts may be known as new adsorbent materials for removing PQ from water as an eco-friendly and economical process. Therefore, in this study we investigate the plant extracts performance as adsorbents in PQ removal from water.
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  • 文章类型: Journal Article
    在粗C2H4(具有〜1体积%的C2H2污染物)中,将C2H2选择性半氢化为C2H4是聚乙烯制造中的关键过程。与传统的以Pd为催化剂、H2为氢源、高温热催化路线相比,以H2O为氢源的光催化C2H2还原反应可以在较温和的条件下实现高选择性,但很少有报道。这里,我们提出了一种超薄的金属-有机骨架纳米片(Cu-Co-MNSs),在C2H2的半氢化中表现出优异的催化活性。采用Ru(bpy)32+作为光敏剂,对于C2H4,该催化剂的周转数(TON)为2124,再加上一个令人印象深刻的选择性99.5%后12小时可见光照射。该性能与分子催化剂相当,并且显著超过本体金属-有机骨架材料的效率。此外,Cu-Co-MNS在工业相关条件下实现了99.95%的C2H2转化率(C2H4中的1.10%C2H2),C2H4相对于C2H6的选择性为90.3%,展示了聚合物级C2H4生产的巨大潜力。
    The selective semihydrogenation of C2 H2 to C2 H4 in crude C2 H4 (with ~1 vol % C2 H2 contamination) is a crucial process in the manufacture of polyethylene. Comparing to conventional thermalcatalytic route with Pd as catalyst under high temperature with H2 as hydrogen source, photocatalytic C2 H2 reduction reaction with H2 O as hydrogen source can achieve high selectivity under milder conditions, but has rarely been reported. Here, we present a kind of ultrathin metal-organic framework nanosheets (Cu-Co-MNSs) that demonstrate excellent catalytic activities in the semihydrogenation of C2 H2 . Employing Ru(bpy)3 2+ as the photosensitizer, this catalyst attains a noteworthy turnover number (TON) of 2124 for C2 H4 , coupled with an impressive selectivity of 99.5 % after 12 h visible light irradiation. This performance is comparable to molecular catalysts and notably surpasses the efficiency of bulk metal-organic framework materials. Furthermore, Cu-Co-MNSs achieve a 99.95 % conversion of C2 H2 under industrial relevant conditions (1.10 % C2 H2 in C2 H4 ) with 90.3 % selectivity for C2 H4 over C2 H6 , demonstrating a great potential for polymer-grade C2 H4 production.
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