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Hydrotreating of m-cresol: A lignin derived phenolic compound, using ruthenium decorated zeolite-β 间甲酚的加氢处理:使用钌装饰的沸石-β加氢处理木质素衍生的酚类化合物
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-03-05 DOI: 10.1016/j.catcom.2024.106895
Soumya B. Narendranath , Naroth P. Nimisha , Anil Chandra Kothari , Rajaram Bal , Ayyamperumal Sakthivel

5 wt% ruthenium-loaded Zeolite-β is found to be efficient for hydrotreating the lignin model compound, m-cresol, at 170 °C under 10 bar hydrogen pressure to give methyl cyclohexane. The catalyst has a bifunctional nature in which the redox properties of ruthenium and the strong acidic nature of Zeolite-β are instrumental in the hydrotreating of m-cresol. The well-dispersed metallic ruthenium on Zeolite-β, as evident from TEM and EDS mapping analysis, is responsible for the potential activity. The activity was retained even after six cycles and was also found to have potential for hydrotreating various other functional substrates.

研究发现,5 wt% 的钌负载沸石-β 能在 170 °C 和 10 bar 氢压条件下高效加氢处理木质素模型化合物,生成甲基环己烷。该催化剂具有双功能特性,其中钌的氧化还原特性和沸石-β的强酸性在加氢处理-甲酚中发挥了重要作用。从 TEM 和 EDS 图谱分析中可以看出,金属钌在沸石-β 上的良好分散是产生潜在活性的原因。这种活性即使在六个周期后仍能保持,而且还被发现具有加氢处理各种其他功能基质的潜力。
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引用次数: 0
Adopting chitosan supported Ag and Ag2O nano-clusters for catalytic hydrogenation of CO2 to formic acid: A quantum semi-empirical calculation 采用壳聚糖支撑的 Ag 和 Ag2O 纳米簇催化 CO2 加氢制甲酸:量子半经验计算
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-02-10 DOI: 10.1016/j.catcom.2024.106872
Ali H. Bashal

This study's objective is to examine the potential of the chitosan-supported Ag and Ag2O nanoparticles on the reduction of CO2. The transition state of the reduction reaction was systematically calculated using the nudged elastic band and the semi-empirical tight-binding calculations. It is found that the large charge polarization on the Ag and Ag2O nanoclusters can modulate chitosan's surface reactivity. The formation of the metal hydrates is the rate-determining step for reducing CO2. The calculated activation energy of the order of 1.5 eV demonstrates that Ag and Ag2O /chitosan could be used as catalysts for converting to CO2 formic acid.

本研究旨在考察壳聚糖支撑的 Ag 和 Ag2O 纳米粒子在还原 CO2 方面的潜力。利用裸弹带和半经验紧束缚计算系统地计算了还原反应的过渡态。研究发现,Ag 和 Ag2O 纳米团簇上的大电荷极化可以调节壳聚糖的表面反应活性。金属水合物的形成是还原 CO2 的决定性步骤。计算得出的活化能约为 1.5 eV,这表明 Ag 和 Ag2O / 壳聚糖可用作将甲酸转化为二氧化碳的催化剂。
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引用次数: 0
Emerging robust heterostructure of flower-like (Calendula) MoS2-warped rGO by polyaniline nanohybrid for antimicrobial and antipollution performances 聚苯胺纳米杂化的花状(金盏花)MoS2-warped rGO 异质结构在抗菌和抗污染方面的新用途
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-02-08 DOI: 10.1016/j.catcom.2024.106867
Jarvin Mariadhas , Yathavan Subramanian , Ganesh Lakshmanan , Fazil Hamsath , Jeyarajan Helen Ratna Monica , Minh Thang Le , Savairoyan Stephen Rajkumar Inbanathan , Abul K. Azad

Molybdenum disulfide /reduced Graphene Oxide /Polyaniline nanocomposites (NCs) was prepared via a two-step synthesis procedures involving hydrothermal and in-situ chemical polymerization techniques. The morphological analysis revealed a well-interconnected structure. X-ray diffraction and Raman spectroscopy revealed the effective formation of the nanocomposites, while Ultraviolet-diffuse reflectance spectroscopy demonstrated enhanced visible light absorption. The degradation rates were up to 96.59% for Methylene Blue, 70.24% for Rhodamine Blue, and 46.03% for Methyl Orange under sunlight light irradiation. The antimicrobial activity of the NCs against various strains, including Escherichia coli, Candida Albicans, and Staphylococcus aureus showed that the prepared nanocomposite possesses better effectiveness against Candida Albicans.

二硫化钼/还原氧化石墨烯/聚苯胺纳米复合材料(NCs)是通过水热和原位化学聚合技术两步合成法制备的。形态分析表明其具有良好的互连结构。X 射线衍射和拉曼光谱显示了纳米复合材料的有效形成,而紫外-漫反射光谱则显示了增强的可见光吸收。在日光照射下,亚甲基蓝的降解率高达 96.59%,罗丹明蓝的降解率高达 70.24%,甲基橙的降解率高达 46.03%。纳米复合材料对各种菌株(包括大肠杆菌、白色念珠菌和金黄色葡萄球菌)的抗菌活性表明,所制备的纳米复合材料对白色念珠菌具有更好的抗菌效果。
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引用次数: 0
Cu-SSZ-39 zeolite nanosheets-heterogeneous catalyst for the decarboxylative cross-coupling of cinnamic acids with ethers Cu-SSZ-39 纳米沸石片--肉桂酸与醚的脱羧交联异构催化剂
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-02-24 DOI: 10.1016/j.catcom.2024.106886
Enmu Zhou, Hao Xu, Kai Zheng, Jianzhong Jin, Jun Qiao, Chao Shen

Zeolite with nanoscale in some dimensions always display better catalytic performance because it contains more exposed catalytic active sites. Herein, a Cu2+ exchanged SSZ-39 zeolite with nanosheet morphology was chosen as a catalyst for the preparation of 2-vinyl heterocycle ethers through decarboxylative cross-coupling of cinnamic acids with ethers. The template reaction conditions were optimized, and the possible reaction mechanism was proposed. Then, a wide range of 2-vinyl heterocycle ethers were prepared. The recycling experiment demonstrated the good sustainability of the catalyst. The potential value of the catalytic product was demonstrated through the bifunctional addition and hydrogenation reduction.

由于沸石含有更多暴露的催化活性位点,因此某些尺寸达到纳米级的沸石总能显示出更好的催化性能。本文选择了具有纳米片状形态的铜交换 SSZ-39 沸石作为催化剂,通过肉桂酸与醚的脱羧交联反应制备 2-乙烯基杂环醚。对模板反应条件进行了优化,并提出了可能的反应机理。随后,制备出了多种 2-乙烯基杂环醚。回收实验证明催化剂具有良好的可持续性。通过双功能加成和氢化还原,证明了催化产物的潜在价值。
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引用次数: 0
Hydrothermally prepared unactivated bean sprouts biochar supported CdS with significantly enhanced photocatalytic hydrogen evolution activity 水热法制备的未活化豆芽生物炭支持的 CdS 具有显著增强的光催化氢进化活性
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 DOI: 10.1016/j.catcom.2024.106861
Lili Zhang , Chunyan Zhang , Jianjun Li , Keyuan Sun , Jindi Zhang , Mengyang Huang , Jiaqiang Wang

Unactivated bean sprout (Faba pullulat) biochar (BSB) supported cadmium sulfide composites (CdS/BSB) were prepared by hydrothermal combined with freeze-drying without adding any activation agent. The structure and morphology have been characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM) in detail, respectively. CdS/BSB(5:4) with a mass ratio of CdS to BSB of 5:4 had the highest photocatalytic hydrogen production rate of 17.7 mmol.g−1.h−1, which is about 3.93 and 3.2 times that of synthesized CdS without biochar and the commercial activated carbon supported CdS, respectively. These results suggested that biochar derived from bean sprout could be a low-cost, renewable, environmentally friendly and metal-free cocatalyst for hydrogen generation.

在不添加任何活化剂的情况下,通过水热法结合冷冻干燥法制备了未活化豆芽(Faba pullulat)生物炭(BSB)支撑硫化镉复合材料(CdS/BSB)。X射线衍射(XRD)和扫描电子显微镜(SEM)分别对其结构和形貌进行了详细表征。CdS/BSB(5:4)的质量比为 5:4,其光催化产氢率最高,达到 17.7 mmol.g-1.h-1,分别是不含生物炭的合成 CdS 和商业活性炭支持的 CdS 的 3.93 倍和 3.2 倍。这些结果表明,从豆芽中提取的生物炭可以成为一种低成本、可再生、环保且不含金属的制氢催化剂。
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引用次数: 0
High-pressure hydrothermal dope Ce into MoVTeNbOx for one-step oxidation of propylene to acrylic acid 高压水热掺杂 Ce 到 MoVTeNbOx 中,用于丙烯到丙烯酸的一步氧化反应
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-01-18 DOI: 10.1016/j.catcom.2024.106849
Yiwen Wang, Shuangming Li, Jiao Song, Haonan Qu, Sansan Yu

A high-pressure hydrothermal method was employed to introduce Ce element facilely into MoVTeNbOx catalysts in 0.5 h. It was indicated that Ce atoms were doped into the framework of MoVTeNbOx without changing the unique crystal structure of MoVTeNbOx. The introduction of Ce could facilitate the formation of oxygen vacancies and improve the redox ability of surfacial V. However, it was worth noting that the doping amount of Ce was negatively related to the content of M1 active phase. Within a certain range, the catalytic performance could be improved by sacrificing an appropriate amount of M1 phase. In the conversion of propylene to acrylic acid, the highest yield of 58.2% was obtained under catalyst MoVTeNbCeOx (V: Ce =1: 0.05) at 380 °C with the M1 phase content of 81.6%. The appropriate amount of Ce doping improved the propylene conversion by more than 20% compared to undoped. Moreover, the changes in Gibbs free energy of the rate-limiting step of direct oxidation of propylene before and after Ce doping were evaluated by Density functional theory (DFT). It is illustrated that the doping of Ce is thought to affect the main reason for the reduction of Gibbs free energy.

采用高压水热法在 0.5 小时内将铈元素方便地引入 MoVTeNbOx 催化剂中。结果表明,在不改变 MoVTeNbOx 独特晶体结构的情况下,Ce 原子被掺杂到 MoVTeNbOx 的框架中。但值得注意的是,掺入量与 M1 活性相的含量呈负相关。在一定范围内,可以通过牺牲适量的 M1 相来提高催化性能。在丙烯转化为丙烯酸的过程中,催化剂 MoVTeNbCeOx(V:Ce =1:0.05)在 380 ℃ 下的最高产率为 58.2%,M1 相含量为 81.6%。与未掺杂相比,适量的掺杂 Ce 使丙烯转化率提高了 20% 以上。此外,密度泛函理论(DFT)评估了掺杂 Ce 前后丙烯直接氧化限速步骤的吉布斯自由能的变化。结果表明,掺杂 Ce 被认为是影响吉布斯自由能降低的主要原因。
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引用次数: 0
Fast and efficient processes for oxidation and monitoring of polycyclic aromatic hydrocarbons in environmental matrices 氧化和监测环境基质中多环芳烃的快速高效工艺
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2023-12-28 DOI: 10.1016/j.catcom.2023.106834
Kelvin C. Araújo , Eryka T.D. Nóbrega , Ailton J. Moreira , Sherlan G. Lemos , Wallace D. Fragoso , Ernesto C. Pereira

This study proposes a new approach for the efficient photodegradation of polycyclic aromatic hydrocarbons (PAH) and derivatives. PAH removal was achieved in just a few minutes using a microwave photochemical reactor capable of producing a high concentration of OH (2.3 mmol L−1 h−1). Fluorescence excitation-emission matrix (EEM) spectroscopy coupled to parallel factor analysis (PARAFAC) was used for quantifying two PAH and one alkylated PAH at low concentrations (μg L−1). These results highlight the high potential of the photochemical degradation system coupled to EEM-PARAFAC as an alternative fast, inexpensive, and efficient approach for environmental remediation studies of PAH.

本研究提出了一种高效光降解多环芳烃及其衍生物的新方法。利用一个能产生高浓度 -OH 的微波光化学反应器(2.3 mmol L-1 h-1),在短短几分钟内就能去除 PAH。荧光激发-发射矩阵(EEM)光谱法与并行因子分析法(PARAFAC)相结合,对低浓度(μg L-1)的两种多环芳烃和一种烷基化多环芳烃进行了定量分析。这些结果凸显了光化学降解系统与 EEM-PARAFAC 相结合作为一种快速、廉价、高效的多环芳烃环境修复研究替代方法的巨大潜力。
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引用次数: 0
Greenly synthesised NCF-LDH as a sustainable electrocatalyst for oxygen evolution reaction with low cell voltage 绿色合成的 NCF-LDH 作为低电池电压下氧气进化反应的可持续电催化剂
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-02-16 DOI: 10.1016/j.catcom.2024.106878
Bakthavachalam Vishnu, Sundarraj Sriram, Jayaraman Jayabharathi

The advancement of extremely effective and long-lasting sustainable electrocatalysts developed from abundant earth elements is an emergence aspect in green energy generation. The greenly synthesised NCF-LDH has been shown that promising candidate for the OER process. Mechnochemical processes are often quick, inexpensive, and easily scalable to produce industrial quantities. In comparison with IrO2 (370 mV), the optimum NCF-LDH-X on GC electrode showed the modest required overpotential (240 mV) at 10 mA cm−2. Solar-assisted water oxidation at 1.57 V shows more expert efficacy of NCF-LDH-2 for solar to hydrogen generation. As an outcome, the greenly synthesised NCF-LDH outperformed the high-priced electrocatalysts. Consequently, low-cost industrial-scale H2 generation using commercial solar cells might be possible.

从丰富的地球元素中开发出极为有效和持久的可持续电催化剂,是绿色能源生产的一个新兴方面。绿色合成的 NCF-LDH 已被证明是 OER 工艺的理想候选材料。机械化学工艺通常快速、廉价,而且易于扩展,可进行工业化生产。与 IrO2(370 mV)相比,GC 电极上的最佳 NCF-LDH-X 在 10 mA cm-2 时显示出适度的所需过电位(240 mV)。在 1.57 V 的太阳能辅助水氧化条件下,NCF-LDH-2 在太阳能制氢方面表现出更高的专业效能。因此,绿色合成的 NCF-LDH 优于价格昂贵的电催化剂。因此,利用商用太阳能电池进行低成本工业规模制氢也许是可能的。
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引用次数: 0
Green synthesis of ZnO photocatalyst composited carbon quantum dots (CQDs) from lime (Citrus aurantifolia) 从酸橙(Citrus aurantifolia)中绿色合成 ZnO 光催化剂复合碳量子点 (CQDs)
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-02-27 DOI: 10.1016/j.catcom.2024.106888
Rizky Nur Hidayat , Hendri Widiyandari , Hanaiyah Parasdila , Orien Prilita , Yayuk Astuti , Nandang Mufti , Takashi Ogi

Lime (Citrus aurantifolia) is one of the most extensively exported agricultural products from Indonesia. Citric acid and ascorbic acid content from limes (Citrus aurantifolia) is such one of the carbon-rich fruits that is a suitable source for Carbon Quantum Dots (CQDs) synthesis. CQD synthesized by relying on natural carbon precursors from lime (Citrus aurantifolia) is a more environmentally friendly approach in the present research, CQDs in this research will be used as an addition to ZnO by hydrothermal method in order to enhance photocatalytic activity. Corresponding to the results, the presence of CQDs improves both the optical and structural properties of ZnO, which led to enhance photocatalytic activity with a degradation percentage of 98% shortly after 75 min of visible light irradiation and to each of the repeatability test cycle results showing the consistent results and with the rate constant (k) fluctuating and the specified compound's degradation percentage remains relatively constant with minor changes.

莱姆()是印度尼西亚出口量最大的农产品之一。石灰()中的柠檬酸和抗坏血酸是富含碳的水果之一,是合成碳量子点(CQDs)的合适来源。在本研究中,CQDs 将通过水热法作为 ZnO 的添加剂,以增强光催化活性。结果表明,CQDs 的存在改善了 ZnO 的光学和结构特性,从而提高了光催化活性,在可见光照射 75 分钟后,降解率达到 98%。
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引用次数: 0
The choline chloride-based DES as a capable and new catalyst for the synthesis of benzopyranophenazinecarbonitriles 基于氯化胆碱的 DES 是合成苯并吡喃酚嗪碳腈的新型催化剂
IF 3.7 3区 化学 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-02-01 Epub Date: 2024-03-22 DOI: 10.1016/j.catcom.2024.106913
Arezo Monem, Davood Habibi, Hadis Goudarzi, Maryam Mahmoudiani-Glian, Amin Benrashid, Zahra Alshablawi

A novel Deep Eutectic Solvent (ChCl/THFTCA-DES) was prepared by a mixture (2:1) of choline chloride [(CH3)3N+CH2CH2OH]Clˉ = (ChCl) and tetrahydrofuran-2,3,4,5-tetracarboxylic acid (THFTCA) as a cheap, simple, and non-toxic method, characterized by FT-IR, densito-meter, eutectic point, and 1H NMR techniques and used as a capable and new catalyst for the synthesis of ten Henna-based benzopyranophenazine‑carbonitriles.

一种新型深共晶溶剂(ChCl/THFTCA-DES)是由氯化胆碱[(CH3)3N+CH2CH2OH]Clˉ = (ChCl)和四氢呋喃-2,3,4,5-四甲烷的混合物(2:通过傅立叶变换红外光谱(FT-IR)、密度计、共晶点和 1H NMR 等技术对其进行了表征,并将其作为一种新型催化剂用于合成十种苯并吡嗪-甲腈类化合物。
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引用次数: 0
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Catalysis Communications
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