Journal of Saudi Chemical Society最新文献

Ultrasound probe-assisted fabrication of 2,3-disubstituted quinazoline-4(3H)-one framework in the existence of SiO2-decorated nano-scale TiO2 composite and investigating their antibacterial attributes via molecular docking simulations 超声探针辅助制备存在于 SiO2 装饰的纳米级 TiO2 复合材料中的 2,3-二取代喹唑啉-4(3H)-酮框架，并通过分子对接模拟研究其抗菌属性

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-11-01 DOI: 10.1016/j.jscs.2024.101942

Mohammad Reza Farhang, Manuchehr Fadaeian, Gholam Reza Najafi, Mahboubeh sadat Sharif

SiO₂-decorated nano-scale TiO₂ composites have been fabricated via hydrothermal technique (high temperature and pressure) as a robust catalyst. The proposed catalyst was characterized to confirm its structure and composite using characteristics tests. 2,3-disubstituted quinazoline-4(3H)-one framework has been successfully prepared through two paths: reflux and probe ultrasound irradiation (US-probe, 40 W). The efficiency of the two various techniques was comparatively studied on the fundamental properties of the proposed catalyst. According to the obtained results, the US-probe method (due to the cavitation effect) provides favorable reaction conditions (saving energy and time). In this comparative study, SiO₂-decorated nano-scale TiO₂ composites were selected and used as a heterogeneous catalyst in a US-probe-assisted multicomponent reaction of isatoic anhydride, various aryl aldehydes, and amine components (aryl amines, aliphatic amines, and ammonium acetate). In the following, a variety of pharmaceutical 2,3-disubstituted quinazoline-4(3H)-one derivative were prepared under US-probe conditions and obtained excellent yield (90–97 %) within short reaction time (up to 10 min) due to substantial synergic effect between US-probe and SiO₂-decorated nano-scale TiO₂ composites. Besides, chemical/thermal stability, eco-friendliness, and recoverability of the catalyst (7 runs) are other outstanding advantages of this research. Using the drug design approach and computational chemistry, the antibacterial attributes of prepared products were finally perused and checked. All synthesized products have a molecular mass of less than 500 g/mol. Computational chemistry data revealed that prepared products bind well to the agonist at the active site of the P37432 protein (docking score between −5.044 and −3.625), which shows within the inactivation of this protein throughout ailment therapy. According to this, it was found that the prepared products will have the potential to become an antibacterial drug.

通过水热技术（高温高压）制备了二氧化硅装饰的纳米级二氧化钛复合材料，作为一种坚固的催化剂。利用特性测试对所提出的催化剂进行了表征，以确认其结构和复合性。2,3-二取代喹唑啉-4(3H)-酮框架已通过两种途径成功制备：回流和探针超声辐照（US-探针，40 W）。研究人员比较了两种不同技术对拟议催化剂基本特性的影响。根据所得结果，US-探针法（由于空化效应）提供了有利的反应条件（节省能源和时间）。在这项比较研究中，选择了 SiO2 装饰的纳米级 TiO2 复合材料作为异相催化剂，用于异酸酐、各种芳基醛和胺组分（芳基胺、脂肪族胺和醋酸铵）的 US-探针辅助多组分反应。随后，在 US-探针条件下制备了多种药物 2,3-二取代喹唑啉-4(3H)-酮衍生物，由于 US-探针和二氧化硅装饰的纳米级 TiO2 复合材料之间的协同效应，在短时间内（最多 10 分钟）获得了极好的产率（90-97%）。此外，催化剂的化学/热稳定性、生态友好性和可回收性（7 次运行）也是该研究的其他突出优势。最后，利用药物设计方法和计算化学，对所制备产品的抗菌特性进行了研究和检验。所有合成产物的分子质量均小于 500 g/mol。计算化学数据显示，制备的产品在 P37432 蛋白的活性位点与激动剂结合良好（对接得分在-5.044 和-3.625 之间），这表明在整个疾病治疗过程中该蛋白处于失活状态。由此可见，制备的产品具有成为抗菌药物的潜力。

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引用次数: 0

Enhanced antibacterial testing and latent fingerprint detection using dichlorofluorescein-doped carbon dots 使用掺杂二氯荧光素的碳点增强抗菌测试和潜在指纹检测功能

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-11-01 DOI: 10.1016/j.jscs.2024.101952

Aphinya Thinthasit , Elvaro Islami Muryadi , Syamsun Jaya , David Nugroho , Saksit Chanthai , Rachadaporn Benchawattananon

This research presents an innovative multifunctional reagent consisting of dichlorofluorescein-doped carbon dots (CDs-DC) generated from fresh coconut water by a hydrothermal method. This work’s innovation resides in the simultaneous application of CDs-DC for latent fingerprint detection on nonporous surfaces and improved antibacterial efficacy. The incorporation of dichlorofluorescein into the CDs matrix enhances photoluminescent characteristics and improves antibacterial effectiveness against Gram-positive and Gram-negative bacteria (Escherichia coli, Serratia marcescens, Bacillus megaterium, Staphylococcus aureus). The addition of a starch matrix significantly strengthened this combination, enhancing the adherence and recognition of complex fingerprint patterns under UV light. Furthermore, the CDs-DC demonstrated significant reactive oxygen species (ROS) production, enhancing their antibacterial efficacy. This dual-functional device represents a notable progression in forensic science and antibacterial technology, establishing itself as a sustainable and highly efficient instrument for these purposes.

本研究提出了一种创新型多功能试剂，由掺杂二氯荧光素的碳点（CDs-DC）组成，该碳点由新鲜椰子水通过水热法生成。这项研究的创新之处在于将 CDs-DC 同时应用于无孔表面的潜伏指纹检测，并提高了抗菌功效。在光盘基质中加入二氯荧光素可增强光致发光特性，并提高对革兰氏阳性和革兰氏阴性细菌（大肠杆菌、肉豆蔻沙雷氏菌、巨大芽孢杆菌、金黄色葡萄球菌）的抗菌效果。淀粉基质的加入大大加强了这一组合，增强了在紫外光下对复杂指纹图案的附着和识别能力。此外，CDs-DC 还能产生大量活性氧 (ROS)，从而增强其抗菌功效。这种双功能装置代表了法医学和抗菌技术的显著进步，使其成为一种可持续的高效工具。

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引用次数: 0

Development and assessment of vanadium-based metal–organic frameworks for the effective elimination of hazardous pesticides from aqueous solutions: Mechanism of uptake, adsorption capacities, rate of uptake, and enhancement via the Box-Behnken design 开发和评估用于有效消除水溶液中有害农药的钒基金属有机框架：吸收机制、吸附能力、吸收率以及通过 Box-Behnken 设计提高吸收率

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-10-13 DOI: 10.1016/j.jscs.2024.101949

Abeer Abdulaziz H. Bukhari

Vanadium metal–organic frameworks (V-MOF) has a great potential to remove contaminants from water that come from agriculture wastewater methyl parathion (MP) pesticides with high effectiveness. Using a variety of methods, such as SEM, FT-IR, XPS), XRD, and BET analysis, the adsorbent was successfully synthesized and characterized. The dimensions of the pores measured at 1.33 nm correspond to the classification of micropores under the IUPAC system. Before the adsorption process, the material had a surface area of 1489.42 m²/g and a pore volume of 0.98 cc/g. After MP adsorption, the surface area, pore size, and pore volume decreased to 1268.42 m²/g, 1.12 nm, and 0.64 cc/g, respectively. Changes in the material’s physical properties indicate that the adsorption process had an effect. 7.2 was the result of controlling the point of zero charge through surface characterization. This information suggests that the surface of the adsorbent has a positive charge at pH below 7.2 and at the pH higher than this value the surface will have a negative charge. It was also looked into how pH affected the adsorption equilibrium. Although fitting to Langmuir isothermally, the kinetics of MP adsorption onto V-MOF are pseudo-second-order fitting. It is very probable that chemisorption was the mode of adsorption because the adsorption energy was 23.62 kJ.mol⁻¹. The enthalpy (ΔH^o) values obtained as a result of studying the thermodynamic parameters are positive, demonstrating that, within this temperature range, the pesticide adsorption process was endothermic., measuring 32.79 kJ.mol⁻¹. Entropy (ΔS^o) readings that are positive indicate that the system’s randomness increased during the adsorption process, reaching 119 J.mol⁻¹K⁻¹, and with rising temperatures, the negative of ΔG^o rise. The effectiveness of the recommended adsorbent was evaluated by filtering wastewater samples in a laboratory environment. It is hypothesized that V-MOF and MP will interact by pore filling, π-π interaction, H-bonding, electrostatic contact, and other possible methods. Considering the specifics of this interaction in great detail is essential to comprehending the nature of adsorption and effectively constructing the adsorbent for use in real-world applications. Water filtering and the treatment of industrial effluents were made simple and effective by the use of V-MOF adsorbent technology. The results indicated that 383.6 mg/g was the maximal adsorption capacity at pH = 6. To evaluate the renewal of the adsorbent, more tests were carried out, and the outcomes showed that the renewal continued even after more than six cycles. The stability of the adsorbent during regeneration was confirmed by using XRD and FT-IR. The Box Behnken design (BBD) was then employed to optimize the adsorption outcomes.

钒金属有机框架（V-MOF）在高效去除来自农业废水甲基对硫磷（MP）农药的水中污染物方面具有巨大潜力。利用 SEM、FT-IR、XPS）、XRD 和 BET 分析等多种方法，成功合成并表征了该吸附剂。测量到的孔隙尺寸为 1.33 nm，符合 IUPAC 系统中的微孔分类。吸附前，材料的表面积为 1489.42 m2/g，孔体积为 0.98 cc/g。吸附 MP 后，表面积、孔径和孔体积分别降至 1268.42 m2/g、1.12 nm 和 0.64 cc/g。材料物理性质的变化表明吸附过程产生了影响。7.2 是通过表面表征控制零电荷点的结果。这一信息表明，当 pH 值低于 7.2 时，吸附剂表面带有正电荷，而当 pH 值高于该值时，表面则带有负电荷。我们还研究了 pH 值对吸附平衡的影响。虽然与 Langmuir 等温拟合，但 MP 在 V-MOF 上的吸附动力学却是伪二阶拟合。由于吸附能为 23.62 kJ.mol-1，因此化学吸附很可能是吸附模式。热力学参数研究得出的焓（ΔHo）值为正值，表明在该温度范围内，农药吸附过程是内热的，为 32.79 kJ.mol-1。熵（ΔSo）读数为正，表明在吸附过程中系统的随机性增加，达到 119 J.mol-1K-1，而且随着温度的升高，ΔGo 的负值也在增加。通过在实验室环境中过滤废水样本，对所推荐的吸附剂的效果进行了评估。根据假设，V-MOF 和 MP 将通过孔隙填充、π-π 相互作用、H 键、静电接触和其他可能的方法发生相互作用。详细考虑这种相互作用的具体细节，对于理解吸附的本质和有效构建用于实际应用的吸附剂至关重要。通过使用 V-MOF 吸附技术，水过滤和工业废水处理变得简单而有效。结果表明，pH=6 时的最大吸附容量为 383.6 毫克/克。为了评估吸附剂的再生能力，还进行了更多的测试，结果表明，即使经过六个以上的循环，吸附剂的再生能力仍在持续。使用 XRD 和 FT-IR 证实了吸附剂在再生过程中的稳定性。然后采用盒式贝肯设计（BBD）来优化吸附结果。

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引用次数: 0

Novel and reusable magnetic MOF nanocomposite coupled ionic liquid-promoted efficient chemical fixation of CO2 into α-alkylidene cyclic carbonates 新型可重复使用的磁性 MOF 纳米复合材料耦合离子液体促进二氧化碳高效化学固定为 α-亚烷基环碳酸盐

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-10-12 DOI: 10.1016/j.jscs.2024.101950

Yu Lin Hu, Yan Hui Lei, Yu Tao Zhang

Carbon dioxide as a C1 building block to synthesize α-alkylidene cyclic carbonates is an environmental and sustainable approach. In this work, we designed and synthesized a type of multifunctional magnetic MOF nanocomposite catalysts, which could realize the carboxylic cyclization of CO₂ and propargylic alcohols into α-alkylidene cyclic carbonates under solvent-free conditions. Among all the prepared nanocomposites, the MnFe₂O₄@SiO₂@Cu-MOF nanocomposite is the best in catalytic activity combined with the tetrabutylphosphonium acetate ([Bu₄P]OAc) ionic liquid cocatalyst. The catalytic system MnFe₂O₄@SiO₂@Cu-MOF/[Bu₄P]OAc displayed excellent performance in catalyzing the carboxylic cyclization of CO₂ and different propargylic alcohols, and a series of α-alkylidene cyclic carbonates were obtained in high to excellent yields (88 ∼ 98 %) under mild reaction conditions (0.2 MPa, 35 °C). In addition, the two-component catalytic system had high stability and reusability, and can be easily separated and reused up to six consecutive cycles without considerable decrease in catalytic activity. Moreover, using the ionic liquid [Bu₄P]OAc as the cocatalyst, the nanocomposite had good substrate adaptability for the catalytic carboxylic cyclization, which opens interesting prospects for the development of new magnetic MOF nanocomposites as efficient heterogeneous catalysts for the chemical transformation of CO₂ into value-added chemicals.

以二氧化碳为C1构筑基块合成α-亚烷基环碳酸盐是一种环保且可持续的方法。本研究设计并合成了一种多功能磁性 MOF 纳米复合催化剂，可在无溶剂条件下实现二氧化碳与丙炔醇的羧基环化反应生成α-亚烷基环碳酸盐。在所有制备的纳米复合材料中，MnFe2O4@SiO2@Cu-MOF 纳米复合材料与四丁基醋酸鏻（[Bu4P]OAc）离子液体催化剂结合的催化活性最好。MnFe2O4@SiO2@Cu-MOF/[Bu4P]OAc 催化体系在催化 CO2 和不同丙炔醇的羧基环化反应中表现出优异的性能，在温和的反应条件（0.2 兆帕，35 °C）下，以高至优异的收率（88 ∼ 98 %）获得了一系列α-亚烷基环碳酸盐。此外，该双组分催化体系具有很高的稳定性和重复使用性，可轻松分离并重复使用长达六个连续循环，而不会显著降低催化活性。此外，以离子液体[Bu4P]OAc 为助催化剂，该纳米复合材料对催化羧基环化具有良好的底物适应性，这为开发新型磁性 MOF 纳米复合材料作为将 CO2 化学转化为高附加值化学品的高效异相催化剂开辟了有趣的前景。

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引用次数: 0

Continuous processing of JP-10 production: Hydroisomerization of endo-tetrahydrodicyclopentadiene to exo-tetrahydrodicyclopentadiene using a novel bimetal catalyst of Ba/Se supported on TiO2/SO4 连续加工生产 JP-10：使用新型 TiO2/SO4 支承钡/硒双金属催化剂将内向四氢双环戊二烯加氢异构化为外向四氢双环戊二烯

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-10-12 DOI: 10.1016/j.jscs.2024.101951

P. Jayapradha , P. Tamizhdurai , C. Kavitha , V.L. Mangesh , Ashma Abubakker , S. Jayakumar , P. Saravanan , Krishna Kumar Yadav , Maha Awjan Alreshidi , Sultan Alshehery , Haifa A. Alqhtani , May Bin-Jumah

High-energy-density liquid fuels can be utilized as an energetic supplement to conventional fuels and are essential for volume-limited aerospace vehicles to boost payload and flying range. JP-10 has attracted much attention because of its high density, flash point, high volumetric heat, and low freezing point. Here we report the hydroisomerization of endo-tetrahydrodicyclopentadiene to exo-tetrahydrodicyclopentadiene (the main component of JP-10) was investigated over the TiO₂/SO₄ supported Ba(10 %)/Se(5–20 %) catalysts. This work aims to examine changes in continuous processing settings to maximize exo-THDCPD production, selectivity, and conversion. It was discovered that the synthesized TiO₂/SO₄/Ba(10 %)/Se(5–20 %) heterogeneous catalysts were novel, more effective, affordable, environmentally friendly, and simple to produce. The catalyst’s physicochemical characteristics were examined using FT-IR, BET, XRD, HR-SEM, HR-TEM, TGA and NH₃-TPD. The produced TiO₂/SO₄/Ba(10 %)/Se(5–20 %) nano-catalysts have good catalytic activity and a wide range of active Lewis and Brønsted acid sites. Evaluation of the isomerization of endo-THDCPD to exo-THDCPD was conducted in a high-pressure fixed-bed continuous reactor operating at 200 °C, 20 bar of pressure, and 4.0mol/h of H₂ flow rate. According to the investigations, the synthesized catalyst with a 15 % Se load performs exceptionally well, exhibiting 100 % conversion, 98.5 % selectivity, and 98.5 % yield at an H₂ flow rate of 10 ml/min. The isomerized product is used in Jet Propellant-10, a high-density fuel. Under ideal circumstances, exo-THDCPD with a high degree of purity (>98 wt%) was produced without the need for any sort of separation technique.

高能量密度液体燃料可作为传统燃料的能量补充，对于体积受限的航空航天飞行器提高有效载荷和飞行距离至关重要。JP-10 因其高密度、高闪点、高容积热和低凝固点而备受关注。在此，我们报告了在 TiO2/SO4 支持的 Ba(10 %)/Se(5-20 %) 催化剂上将内四氢双环戊二烯加氢异构化成外四氢双环戊二烯（JP-10 的主要成分）的研究。这项工作旨在研究连续处理设置的变化，以最大限度地提高外-THDCPD 的产量、选择性和转化率。研究发现，合成的 TiO2/SO4/Ba(10 %)/Se(5-20 %)异相催化剂新颖、高效、经济、环保且生产简单。利用 FT-IR、BET、XRD、HR-SEM、HR-TEM、TGA 和 NH3-TPD 对催化剂的理化特性进行了研究。所制备的 TiO2/SO4/Ba(10 %)/Se(5-20 %) 纳米催化剂具有良好的催化活性和广泛的活性路易斯酸和布氏酸位点。在 200 °C、20 巴压力和 4.0mol/h H2 流速下运行的高压固定床连续反应器中，对内-THDCPD 异构化成外-THDCPD 进行了评估。研究结果表明，合成的含 15% Se 的催化剂性能优异，在 10 ml/min 的 H2 流速下，转化率达 100%，选择性达 98.5%，产率达 98.5%。异构化产品用于喷气推进剂-10（一种高密度燃料）。在理想情况下，无需任何分离技术就能生产出高纯度（98 wt%）的外-THDCPD。

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引用次数: 0

Enhanced thermal stability photophysical properties of photoselective PMMA/ITO nanohybrid films for greenhouse cooling in hot climates 增强光选择性 PMMA/ITO 纳米杂化薄膜的热稳定性和光物理性能，用于炎热气候下的温室降温

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-10-05 DOI: 10.1016/j.jscs.2024.101945

Mohammed Alyami , Samah El-Bashir

The current research proposed innovative photoselective greenhouse cooling films made from PMMA/ITO nanohybrids, incorporating varying concentrations of Indium tin oxide nanocrystals (ITO NCs) and the fluorescent organic dye Lumogen F Red300, utilizing the solvent casting method. The morphology and structure were examined using transmission electron microscopy (TEM) and X-ray diffraction (XRD), demonstrating good homogeneity and amorphous nature. The impact of different ITO NC concentrations on physical properties was examined through differential scanning calorimetry (DSC), optical absorption, transmission, reflection, fluorescence, and Fourier transform infrared (FT-IR) spectroscopy. Integrating ITO NCs into the PMMA matrix showed enhanced thermal insulation capabilities of PMMA films while maintaining their transparency to photosynthetically active radiation (PAR). Maintaining this balance is crucial because it enables the films to selectively filter and reflect infrared radiation leading to lower greenhouse temperatures while still allowing the essential light needed for plant growth to pass through. This research is particularly significant for Sustainable Development Goals (SDGs) 2 and 13, especially in hot, water-scarce regions, as it protects plants from thermal stress, promotes growth, and supports food security in developing countries.

目前的研究提出了创新的光电选择性温室冷却薄膜，该薄膜由 PMMA/ITO 纳米杂化物制成，其中含有不同浓度的氧化铟锡纳米晶体（ITO NCs）和荧光有机染料 Lumogen F Red300，并采用了溶剂浇铸法。利用透射电子显微镜（TEM）和 X 射线衍射（XRD）对其形态和结构进行了检测，结果表明其具有良好的均匀性和无定形性。通过差示扫描量热法（DSC）、光吸收、透射、反射、荧光和傅立叶变换红外（FT-IR）光谱，研究了不同浓度的 ITO NC 对物理性质的影响。将 ITO NCs 集成到 PMMA 基体中可增强 PMMA 薄膜的隔热能力，同时保持其对光合有效辐射 (PAR) 的透明度。保持这种平衡至关重要，因为它能使薄膜有选择性地过滤和反射红外线辐射，从而降低温室温度，同时仍允许植物生长所需的基本光通过。这项研究对于可持续发展目标（SDGs）2 和 13 尤为重要，尤其是在炎热缺水地区，因为它可以保护植物免受热应力影响，促进生长，并为发展中国家的粮食安全提供支持。

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引用次数: 0

Effect of Ni/Co ratio on Ce-Sc-ZrO2 catalysts for selective H2 production via methane partial oxidation 镍/钴比对通过甲烷部分氧化选择性生产 H2 的 Ce-Sc-ZrO2 催化剂的影响

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-10-05 DOI: 10.1016/j.jscs.2024.101948

Norah Alwadai , Ahmed S. Al-Fatesh , Kenit Acharya , Abdulaziz A.M. Abahussain , Salma A. Al-Zahrani , Anis H. Fakeeha , Naif Alarifi , Khaled M. Banabdwin , Ahmed A. Ibrahim , Rawesh Kumar

Partial oxidation of methane (POM) is a promising route for hydrogen production, and achieving a high H₂ yield with an H₂/CO ratio >3 is highly appealing. Optimization of Ni/Co ratios over Ce-Sc-ZrO₂ (CSZ) is investigated for POM reaction and characterized by X-ray diffraction, Raman spectroscopy, temperature-programmed reduction/oxidation/desorption, and transmission electron microscopy. The active site derived from the reduction of “strongly interacted NiO” is responsible for the dissociation of C–H (of CH₄), resulting high activity towards POM. 5Ni/CSZ has the highest amount of such active sites and attains the highest activity. 5Co/CSZ catalyst has cobalt-based active sites, and there is an inert carbon deposit during the reaction, causing the least activity. 3.75 wt% Ni and 1.25 wt% Co combination over CSZ support surges the highest density of basicity, oxide vacancy, and adequate amount of active sites derived from “strongly interacted NiO”. The active sites with enhanced metal-support interaction are further grown under exposure to oxidizing gas (O₂) and reducing gas (H₂) during the POM reaction. The highest density of basicity and oxide vacancy involves more CO₂ and H₂O in the sequential oxidation of CH₄ under indirect pathways. The exclusive involvement of indirect pathways of POM and inhibition of hydrogen consuming reaction (like reverse water gas shift reaction) over 3.75Ni1.25Co/CSZ results into 48 % H₂ yield and 3.26 H₂/CO ratio up to 24 h time on stream at 600 °C. The H₂ yield doubles to ∼97 %, and the H₂/CO ratio comes close to 2 over 3.75Ni1.25Co/CSZ catalyst at 900 °C.

甲烷部分氧化（POM）是一种前景广阔的制氢途径，以 H2/CO 比率 >3 获得较高的 H2 产率极具吸引力。研究人员通过 X 射线衍射、拉曼光谱、温度编程还原/氧化/解吸和透射电子显微镜，对 Ce-Sc-ZrO2 (CSZ) 上的 Ni/Co 比率进行了优化，以用于 POM 反应。强相互作用氧化镍 "还原产生的活性位点负责解离（CH4 的）C-H，从而对 POM 具有高活性。5Ni/CSZ 催化剂中这种活性位点的数量最多，活性也最高。5Co/CSZ 催化剂具有钴基活性位点，在反应过程中会有惰性碳沉积，因此活性最低。CSZ 载体上 3.75 wt% Ni 和 1.25 wt% Co 的组合具有最高的碱度密度、氧化物空位和充足的 "强相互作用 NiO "活性位点。在 POM 反应过程中，在氧化性气体（O2）和还原性气体（H2）的作用下，金属-支撑相互作用增强的活性位点进一步增长。碱度和氧化物空位密度最高时，在间接途径下的 CH4 顺序氧化过程中会涉及更多的 CO2 和 H2O。在 3.75Ni1.25Co/CSZ 上，POM 间接途径的完全参与和对耗氢反应（如反向水气变换反应）的抑制，使得在 600 °C 下的 24 小时内，H2 产率达到 48%，H2/CO 比率达到 3.26。在 900 °C 时，3.75Ni1.25Co/CSZ 催化剂的 H2 产率翻了一番，达到 97%，H2/CO 比率接近 2。

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引用次数: 0

Investigating adsorption and removal of divalent Ca2+ and Pb2+ ions from aqueous solutions by gamma-irradiation using quartz tuning fork (QTF) sensor technique 利用石英音叉（QTF）传感器技术研究伽马射线照射对水溶液中二价 Ca2+ 和 Pb2+ 离子的吸附和去除作用

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-10-02 DOI: 10.1016/j.jscs.2024.101947

Reem Alanazi , Shofiur Rahman , Mahmoud Al-Gawati , Khalid E. Alzahrani , Nahed Alarifi , Nadyah Alanazi , Abdullah N. Alodhayb

<div><div>In this study, gold-coated quartz tuning forks (QTFs) sensing devices functionalized with self-assembled monolayers (SAM) of a lower-rim functionalized calix[4]arene methoxy ester were used for the detection of divalent Ca2+ and Pb2+ ions in aqueous solutions by utilizing adsorption behavior and the radiative effect. The gold-coated QTF functionalized calix[4]arene methoxy ester sensing device was tested by measuring the respective frequency shifts obtained using small (60 µL) samples of aqueous PbCl2 at two different concentrations (10−6 and 10−4 M). For 10−4 M solutions of PbCl2, results showed that the resonance frequency shift Δf = 317 Hz, from 32,867 Hz (fCalix) to 32,550 Hz (fCalix⊃Pb2+) due to the absorption of lead (Pb2+) ions (10-4 M) by calixl[4]arene methoxy ester receptor molecules on the QTF sensing layer from the aqueous solution to forming the ([Calix ⊃ Pb2+]) complex. The most significant frequency changes were observed at a concentration of 10−6 M CaCl2, where CaCl2 exhibited the biggest change of 356 Hz, from 32,893 Hz (fCalix) to 32,537 Hz (fCalix⊃Ca2+), compared to 317 Hz for PbCl2 (10−4 M). The limit of detection was 100 femtomolar (fM) for CaCl2 and 245 fM for PbCl2. After that, we irradiated the receptor molecules which was holding Pb2+ ions in the complex ([calix ⊃ Pb2+]) on the QTF sensing layer with a radiation dose ranging from 7.5 to 50 µGy of gamma rays from the Cesium-137 source for 30 min. Interestingly, it was observed that the resonance frequency shift (Δf = 54 Hz) back to 32,604 Hz from 32,550 Hz (f(Calix⊃Pb2+)), which strongly suggests that the Pb2+ ion removed from ([calix ⊃ Pb2+]) complex on the QTF sensing layer due to gamma radiation dose. To follow up on the radiation effect of the ([calix ⊃ Pb2+]) on the QTF sensing layer, we stopped the gamma radiation source and kept it for an additional 10 min to see if there was any resonance frequency. It was noticed that an additional resonance frequency shifted (Δf = 33 Hz) back to 32,637 Hz from 32,604 Hz after stopping the gamma radiation source for 10 min. We assume that the complex ([calix ⊃ Pb2+]) absorbs the gamma radiation and continues the removal of Pb2+ ions from the complex on the sensing layer. A similar phenomenon was also observed for the absorption of lead (Pb2+) ions (10-6 M) by calix[4]arene methoxy ester receptor molecules on the QTF sensing layer from the aqueous solution to forming the ([Calix ⊃ Pb2+]) complex. The resonance frequency shift Δf = 142 Hz, from 32,706 Hz (fCalix) to 32,564 Hz (fCalix⊃Pb2+) due to the absorption o

在这项研究中，利用吸附行为和辐射效应，使用了金涂层石英音叉（QTFs）传感装置，该传感装置具有下缘功能化钙[4]炔甲氧基酯自组装单层（SAM），用于检测水溶液中的二价钙[4]炔和铅[4]炔离子。金涂层 QTF 功能化钙[4]烯甲氧基酯传感装置通过测量两种不同浓度（10-6 M 和 10-4 M）的氯化铅水溶液小样本（60 µL）获得的各自频移进行了测试。对于 10-4 M 的氯化铅溶液，结果显示共振频率偏移 Δf = 317 Hz，从 32,867 Hz (fCalix) 到 32、550 Hz (fCalix⊃Pb2+)，这是由于 QTF 传感层上的 Calixl[4]arene 甲氧基酯受体分子吸收了来自水溶液的铅（Pb2+）离子（10-4 M），形成了（[Calix ⊃Pb2+]）复合物。在浓度为 10-6 M CaCl2 时，频率变化最为明显，CaCl2 的频率变化最大，从 32,893 Hz（fCalix）变为 32,537 Hz（fCalix⊃Ca2+），达到 356 Hz，而 PbCl2（10-4 M）的频率变化为 317 Hz。CaCl2的检测限为100飞摩尔（fM），PbCl2的检测限为245飞摩尔。然后，我们用来自铯-137 源的 7.5 至 50 µGy 伽马射线辐照 QTF 传感层上含有 Pb2+ 离子复合物（[calix ⊃Pb2+]）的受体分子 30 分钟。有趣的是，共振频率（Δf = 54 Hz）从 32,550 Hz（f(calix⊃Pb2+)）回落到 32,604 Hz，这有力地表明由于伽马辐射剂量，Pb2+ 离子从 QTF 传感层上的（[calix⊃Pb2+]）复合物中移除。为了跟踪（[calix ⊃Pb2+]）对 QTF 传感层的辐射效应，我们停止了伽马辐射源，并继续保持 10 分钟，以观察是否存在共振频率。结果发现，在停止伽马辐射源 10 分钟后，共振频率从 32,604 Hz 变回了 32,637 Hz（Δf = 33 Hz）。我们假定络合物（[calix ⊃Pb2+]）吸收了伽马射线，并继续从传感层上的络合物中清除 Pb2+ 离子。QTF 传感层上的钙[4]炔甲氧基酯受体分子从水溶液中吸收铅（Pb2+）离子（10-6 M），形成（[钙钛矿 ≌ Pb2+]）络合物，也观察到类似的现象。由于 QTF 传感层上的钙[4]炔甲氧基酯受体分子从水溶液中吸收了铅（Pb2+）离子（10-6 M），形成了（[Calix ⊃Pb2+]）复合物，共振频率从 32 706 Hz（fCalix）移动到 32 564 Hz（fCalix⊃Pb2+），共振频率Δf = 142 Hz。随后，铯-137 辐射源将伽马射线照射 30 分钟，剂量从 7.5 到 50 µGy 不等，这促使共振频率从 32,564 Hz（f(Calix⊃Pb2+)）回落到 32,606 Hz（Δf = 37 Hz）。这一变化强烈表明，由于伽马辐射剂量的作用，Pb2+ 离子从 QTF 传感层上的（[calix ⊃Pb2+]）复合物中移除。X 射线光电子能谱（XPS）分析证实了 Pb2+ 离子在金涂层 QTF 功能化 calix[4]arene 吸附传感层表面的化学吸附。因此，钙[4]烯功能化传感装置的基础技术有望应用于多种工业领域，并通过所提出的吸附和辐照机理支持水污染减缓方面的潜在进步。

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引用次数: 0

Facile and controllable hybrid-nanoengineering of MWCNTs/Au@ZIF-8 and AuPt@CeO2 based sandwich electrochemical aptasensor for AFB1 determination in foods and herbs 基于 MWCNTs/Au@ZIF-8 和 AuPt@CeO2 的夹心电化学诱导传感器的简便可控混合纳米工程，用于食品和药材中 AFB1 的检测

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-09-26 DOI: 10.1016/j.jscs.2024.101946

Liang Guo , Shijin Zhou , Yanju Liu , Huaixia Yang , Mingsan Miao , Wei Gao

Herein, a sandwich electrochemical sensing strategy for aflatoxin b₁ (AFB₁) detection based on hybrid-nanoengineering was presented. First, Au nanoparticle was doped into zeolitic imidazolate framework-8 (ZIF-8) to form Au@ZIF-8 by in-situ growth method, followed by multi-walled carbon nanotubes (MWCNTs) addition to synthesize MWCNTs/Au@ZIF-8 via self-assembly. The structural “confinement effect” of ZIF-8 afforded a microenvironment for Au nanoparticles and SMCNTs in a certain spatial region, giving MWCNTs/Au@ZIF-8 excellent electrochemical property as the substrate material. In addition, Au-Pt bimetallic nanoparticle, which exhibited excellent stability and catalytic activity was loaded on the hollow cerium oxide (CeO₂) to form AuPt@CeO₂ nanoparticle through one-step aqueous phase reduction. Owning to its high surface-to-volume ratio, satisfied electron transfer efficiency and biocompatibility, massive toluidine blue (TB) and AFB₁ antibody (Ab) could be modified on the AuPt@CeO₂ to form AuPt@CeO₂-Ab-TB, which acted as signal tag for the ultrasensitive assay of AFB₁. The proposed electrochemical sensing system exhibited wide detection range (2 × 10^-5 − 20 ng/mL) and low detection limit (2.13 fg/mL), which has been successfully applied to AFB₁ determination in four real samples. The hybrid nanoengineering presented in this work is an active attempt to prepare high-performance substrate material and signal tag, which provides a new insight for the development of highly sensitive and specific electrochemical sensing systems.

本文提出了一种基于混合纳米工程的黄曲霉毒素b1（AFB1）夹层电化学传感策略。首先，通过原位生长法将金纳米粒子掺杂到沸石咪唑酸盐框架-8（ZIF-8）中形成 Au@ZIF-8，然后加入多壁碳纳米管（MWCNTs）通过自组装合成 MWCNTs/Au@ZIF-8。ZIF-8 的结构 "约束效应 "在一定空间区域内为金纳米粒子和 SMCNT 提供了微环境，使 MWCNTs/Au@ZIF-8 作为基底材料具有优异的电化学性能。此外，通过一步水相还原法，将具有优异稳定性和催化活性的金铂双金属纳米粒子负载在中空氧化铈（CeO2）上，形成 AuPt@CeO2 纳米粒子。由于AuPt@CeO2具有较高的表面积比、良好的电子传递效率和生物相容性，可将大量甲苯胺蓝（TB）和AFB1抗体（Ab）修饰在AuPt@CeO2上，形成AuPt@CeO2-Ab-TB，作为超灵敏检测AFB1的信号标签。所提出的电化学传感系统具有检测范围宽（2 × 10-5 - 20 ng/mL）、检测限低（2.13 fg/mL）的特点，已成功应用于四种实际样品中 AFB1 的检测。这项工作提出的混合纳米工程是制备高性能基底材料和信号标签的积极尝试，为开发高灵敏度和特异性电化学传感系统提供了新的思路。

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引用次数: 0

Discovery of tetrazole thioethers: An efficient, environmentally friendly and metal-free S-arylation using diaryliodonium salts 发现四氮唑硫醚：使用二月桂碘鎓盐进行高效、环保和无金属的 S-芳基化反应

IF 5.8 2区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of Saudi Chemical Society

Pub Date : 2024-09-26 DOI: 10.1016/j.jscs.2024.101943

Xiaogang Li , Xuesong Wang , Yan Wang , Yinfeng Tan , Dong Liu , Xueying Zhang , Youbin Li , Junyu Xu

An efficient, environmentally friendly, and metal-free method for the synthesis of functionalized tetrazole thioethers via the S-arylation of tetrazole-5-thiones using diaryliodonium salts as aryl transfer reagents has been developed. This novel methodology provides rapid access to tetrazole thioether derivatives under facile conditions. Our study underscores the chemoselectivity of unsymmetrical diaryliodonium salts, emphasizing their preference for the transfer of sterically hindered and electron-deficient aryl groups. Notably, the synthesized compound 3h exhibits antitumor activity against A2780 (ovarian cancer) and MDA-MB-231 (breast cancer) tumor cells. In silico studies predict these compounds to possess good drug-likeness and low toxicity risk. These findings highlight the potential of functionalized tetrazole thioethers as antiproliferative agents and pave the way for further development and optimization in future investigations.

本研究开发了一种高效、环保、无金属的方法，利用二月桂碘鎓盐作为芳基转移试剂，通过四氮唑-5-硫醚的 S-芳基化反应合成官能化四氮唑硫醚。这种新方法可在简便的条件下快速获得四氮唑硫醚衍生物。我们的研究强调了不对称二芳基二碘鎓盐的化学选择性，强调了它们对立体受阻和电子缺陷芳基转移的偏好。值得注意的是，合成的化合物 3h 对 A2780（卵巢癌）和 MDA-MB-231（乳腺癌）肿瘤细胞具有抗肿瘤活性。硅学研究预测这些化合物具有良好的药物相似性和较低的毒性风险。这些发现凸显了官能化四氮唑硫醚作为抗增殖剂的潜力，为今后的进一步开发和优化研究铺平了道路。

引用次数: 0