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Hyaluronic Acid-Mediated Ge0.5Fe2.5O4 Nanoparticles: In Relation to Photocatalytic Performance for Organic Dye Degradation 透明质酸介导的 Ge0.5Fe2.5O4 纳米粒子:与有机染料降解的光催化性能有关
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202500229
Shahid Iqbal, Amal M. Al-Mohaimeed, Mohammad Ashraf Hossain, Mohamed Soliman Elshikh, Rashid Iqbal, Lala Gurbanova, Md Rezaul Karim, Muhammad Jamshaid

The present study reports the systematic synthesis, characterization, and photocatalytic evaluation of germanium-substituted iron oxide (Ge0.5Fe2.5O4) nanoparticles with varying concentrations of hyaluronic acid (HA). The synthesized nanoparticles were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and Brunauer–Emmett–Teller (BET) analysis. The XRD confirmed the formation of Ge0.5Fe2.5O4 with a crystallite size of 19 nm. The FTIR and SEM analysis verified the successful incorporation of Ge and HA into the iron oxide lattice. BET analysis revealed increased porosity upon HA addition, indicating potential benefits for catalytic applications. The photocatalytic efficiency of the nanoparticles was assessed using methylene blue dye degradation as a model reaction. Surprisingly, pristine Ge0.5Fe2.5O4 exhibited an impressive 89.11% degradation rate, greater than (6% and 12%) HA-modified Ge0.5Fe2.5O4 photocatalysts. These findings highlight the complex interaction between surface chemistry, porosity, and catalytic activity.

本研究报道了不同浓度透明质酸(HA)的锗取代氧化铁(Ge0.5Fe2.5O4)纳米颗粒的系统合成、表征和光催化评价。采用x射线衍射(XRD)、傅里叶变换红外光谱(FTIR)、扫描电镜(SEM)和布鲁诺尔-埃米特-泰勒(BET)分析对合成的纳米颗粒进行了表征。XRD证实了Ge0.5Fe2.5O4的形成,晶粒尺寸为19 nm。FTIR和SEM分析证实了Ge和HA成功结合到氧化铁晶格中。BET分析显示,加入HA后孔隙度增加,这表明了催化应用的潜在优势。以亚甲基蓝染料降解为模型反应,评价了纳米颗粒的光催化效率。令人惊讶的是,原始Ge0.5Fe2.5O4的降解率高达89.11%,高于(6%和12%)ha修饰的Ge0.5Fe2.5O4光催化剂。这些发现强调了表面化学、孔隙度和催化活性之间复杂的相互作用。
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引用次数: 0
Research on the Controlled Synthesis of Phenolic Resin-Based Carbon Microspheres and Their Sodium Storage Behavior 酚醛树脂基碳微球的可控合成及其储钠性能研究
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202500414
Qianqian Ma, Yilin Wang, Zonglin Yi, Lijing Xie, Fangyuan Su, Guohua Sun, Gongling Hui, Wei Xie, Chengmeng Chen, Yaqin Hou

Phenolic resin is considered a promising precursor for advanced hard carbon anodes in sodium-ion batteries (NIBs) due to its ease of design, structural stability, and high residual carbon yield. However, the practical application of hard carbon is affected by its closed-pore content and structure. Here, we achieve fine control over the cross-linking structure of phenolic resin precursors by adjusting the catalyst content in the system, followed by high-temperature carbonization to produce phenolic resin-based carbon microspheres with small sizes (2–4 µm), monodispersity, and a narrow spherical diameter distribution. Based on this, we deeply explore the intrinsic relationship between the microstructure of these resin-based carbon microspheres and their sodium storage performance in NIBs. This strategy can provide a feasible molecular cross-linking engineering approach for the development of closed pores in phenolic resin-based hard carbon to tune electrochemical properties such as the plateau region capacity.

酚醛树脂因其易于设计、结构稳定和高残碳收率而被认为是钠离子电池(nib)中先进硬碳阳极的前驱体。但硬碳的闭孔含量和闭孔结构影响了其实际应用。本研究通过调整体系中催化剂的含量,实现了对酚醛树脂前驱体交联结构的精细控制,然后通过高温碳化制备出粒径小(2-4µm)、单分散性、球径分布窄的酚醛树脂基碳微球。在此基础上,我们深入探讨了这些树脂基碳微球的微观结构与其在nib中的储钠性能之间的内在关系。该策略为开发酚醛树脂基硬碳的封闭孔以调整高原区容量等电化学性能提供了可行的分子交联工程方法。
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引用次数: 0
Green and Tandem Synthesis of Heterocyclic α,α’-Dibromocycloamides and Their Target Predictions and ADMET Analysis 杂环α,α′-二溴环酰胺的绿色和串联合成及其靶预测和ADMET分析
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202501499
Dinesh S Shinde, Aarzoo F Qazi, Harshal R Patil, Ritvika Shukla, Dr. Rajendra D Patil, Dr. Pawan Gupta

Oxy-bromination of cyclic amines to corresponding α,α’-dibromocycloamide(s) using bromide-bromate couple in aqueous acetic acid and at 60 °C (oil bath) is presented in the current work. A various types of cyclic amines were successfully oxybrominated during this work. Separation of the desired product by filtration therefore avoiding need of column chromatography, use of bromide-bromate couple as safe and stable source of oxy-bromination agent, mild reaction conditions and so on are the merits of the present research method. In silico ADMET and target prediction studies indicated that novel α,α’-dibromocycloamides possess satisfactory pharmacokinetic and pharmacodynamic profiles. The identified therapeutic targets provided a foundation for developing optimized molecules targeting therapeutically significant classes. The HOMO-LUMO energy calculations of the molecules using DFT method showed that Mole 3 and Mole 4 exhibited low gap energy and demonstrated high reactivity. However, Mole 5, Mole 6, Mole 7 and Mole 9 were found with high gap energy, thereby producing less reactivity or high stability. The high reactive molecules could be potential lead molecules which can interact efficiently with the drug targets. However, further experimental studies (in vitro/in vivo) are necessary to gain deeper insights into the pharmacological activities of these compounds.

本文介绍了在60°C(油浴)条件下,溴-溴酸盐偶对环胺在醋酸水溶液中氧溴化制得相应的α,α′-二溴环酰胺。在此过程中,成功地实现了多种环胺的氧溴化。本研究方法的优点是通过过滤分离所需产物,从而避免了柱层析的需要,溴-溴酸盐偶对作为氧溴化剂安全稳定的来源,反应条件温和等。计算机ADMET和靶标预测研究表明,新型α,α′-二溴环酰胺具有令人满意的药代动力学和药效学特征。所确定的治疗靶点为开发靶向治疗重要类别的优化分子提供了基础。用DFT方法计算分子的HOMO-LUMO能量表明,摩尔3和摩尔4具有较低的间隙能和较高的反应活性。然而,摩尔5号、摩尔6号、摩尔7号和摩尔9号被发现具有较高的间隙能,因此产生的反应性较低或稳定性较高。高活性分子可作为潜在的先导分子,与药物靶点有效相互作用。然而,为了更深入地了解这些化合物的药理活性,还需要进一步的实验研究(体外/体内)。
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引用次数: 0
Antiproliferative and Antifungal Activity of Penicillic Acid in Comparison with Its Different Derivatives 青霉酸与不同衍生物的抗增殖和抗真菌活性比较
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202404274
A. K. Bauri, P. D. Sherkhane, Nathan Mirtallo Ezzone, Kaushik Banerjee, Esperanza J. Carcache de Blanco, Ashwani Kumar, Sabine Foro

Earlier, we have reported penicillic acid to be the major secondary metabolite from ethyl acetate extract of the broth produced by a fungal strain named as Penicillium polonicum. It exhibited high inhibitory activity against a plant pathogen Pythium aphanidermatum. In order to establish structure-activity relationship of penicillic acid, a series of chemical transformations of this constituent has been carried out under different reaction conditions, alteration of solvents and changing reagents. The yield was processed by various standard separation technique followed by preparative TLC and crystallization where it possible. The structural characterization of purified derivatives has been determined by chemical, spectral and spectrometric methods. The evaluation of antiproliferative activity of them was conducted on different human cancer cell lines. It has also been evaluated for antibiosis against P. aphanidermatum. The penicillic acid and dihydro-penicillic acid exhibited moderate activity against pancreatic (HPAC-1376), colon (HT-29) and thyroid (MDA-T32) cancer cell lines with IC50 values 15.66/16.09, 18.74/18.37, and 19.18/19.17 µg/mL respectively. Unlike the parent compound and none of the derivatives viz. dihydropenicillic acid (2), bromohydroxy penicillic acid (3), dibromo-penicillic acid (4), bromosuccinmidyl-penicillic acid (5), bromohydro-penicillic acid (6), demethoxy-penicillic acid (7), sulphated-penicillic acid (8), hydroxyl penicillic acid (9), and bromo-amino penicillic acid (10) showed inhibitory activity against P. aphanidermatum.

早些时候,我们曾报道青霉酸是一种名为多孔青霉的真菌菌株产生的肉汤乙酸乙酯提取物中的主要次级代谢产物。它对植物病原 Pythium aphanidermatum 具有很高的抑制活性。为了确定青霉烷酸的结构-活性关系,研究人员在不同的反应条件下,通过改变溶剂和试剂,对该成分进行了一系列化学转化。在可能的情况下,采用各种标准分离技术,然后进行制备性 TLC 和结晶处理。纯化衍生物的结构特征是通过化学、光谱和分光方法确定的。在不同的人类癌细胞系上对它们的抗增殖活性进行了评估。此外,还评估了它们对表皮癣菌的抗生素作用。青霉烷酸和二氢青霉烷酸对胰腺癌(HPAC-1376)、结肠癌(HT-29)和甲状腺癌(MDA-T32)细胞系表现出中等程度的活性,IC50 值分别为 15.66/16.09、18.74/18.37 和 19.18/19.17 µg/mL。与母体化合物不同的是,没有一种衍生物,即二氢青霉烷酸 (2)、溴代羟基青霉烷酸 (3)、二溴青霉烷酸 (4)、溴琥珀酰青霉烷酸 (5)、溴代羟基青霉烷酸 (6)、(5)、溴氢青霉烷酸 (6)、去甲氧基青霉烷酸 (7)、硫酸化青霉烷酸 (8)、羟基青霉烷酸 (9) 和溴氨基青霉烷酸 (10) 对 P.phanidermatum 具有抑制活性。的抑制活性。
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引用次数: 0
Study on Synthesis, Structural, and Photocatalytic Properties of MnTiO3 MnTiO3的合成、结构及光催化性能研究
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202501101
Guo Bin, Rabigul Tursun, Ma Shuaiwu

With the continuous development of industry, the problem of water pollution is becoming increasingly serious. Methylene blue (Mb) is an important water pollutant that has a negative impact on ecosystems. Photocatalytic technology has been recognized as an effective and environmentally friendly method for solving water pollution, which has attracted widespread research attention. This study providing a solid experimental and theoretical basis for solving water pollution and has high research value. In this paper, MnTiO3 with different molar ratios (Mn:Ti = 1:0.9 and 1:1) and different calcination temperatures (800, 900, and 1000 °C) was synthesized by sol–gel method. A systematic study was conducted on the structure, photodegradation performance, and photodegradation mechanism of synthetic materials. Research has shown that when the Mn:Ti ratio is 1:0.9 and the calcination temperature is 1000 °C/2 h, pure MnTiO3 phase can be obtained. Among them, the MnTi0.9O3-900 °C/2 h sample composed of MnTiO3, TiO2, and Mn2O3 phases showed the highest photocatalytic degradation efficiency (54.3%) towards Mb. The mechanism of the excellent photocatalytic activity of MnTi0.9O3-900 °C/2 h is due to its narrow bandgap, porous structure, abundant oxygen vacancies, and heterojunction structure, which enhances light absorption and improves electron hole separation efficiency.

随着工业的不断发展,水污染问题日益严重。亚甲基蓝(Mb)是一种对生态系统有负面影响的重要水污染物。光催化技术作为一种有效、环保的解决水污染的方法,受到了广泛的研究关注。本研究为解决水污染问题提供了坚实的实验和理论基础,具有较高的研究价值。本文采用溶胶-凝胶法合成了不同摩尔比(Mn:Ti = 1:9 . 0和1:1)和不同煅烧温度(800、900和1000℃)的MnTiO3。对合成材料的结构、光降解性能及光降解机理进行了系统的研究。研究表明,当Mn:Ti比为1:9 .9,煅烧温度为1000℃/2 h时,可制得纯净的MnTiO3相。其中,由MnTiO3、TiO2和Mn2O3相组成的MnTi0.9O3-900°C/2 h样品对Mb的光催化降解效率最高(54.3%)。MnTi0.9O3-900°C/2 h具有优异的光催化活性的机理是由于其窄带隙、多孔结构、丰富的氧空位和异质结结构,增强了光吸收,提高了电子空穴分离效率。
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引用次数: 0
Physicochemical Characterization, Metabolite Profiling, and Preclinical Pharmacokinetic Assessment of a Sulfonamide-Based Pyruvate Kinase M2 Activator for Anticancer Lead Identification 一种磺胺类丙酮酸激酶M2激活剂的理化特性、代谢物分析和临床前药代动力学评估,用于抗癌铅鉴定
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202406039
Rudradip Das, Niraj Rajput, Shailendra Sharma, Dr. Pinaki Sengupta, Dr. Amit Shard

This study investigates the pharmacokinetic, physicochemical, and metabolite properties of 9b, a novel imidazopyrimidine-based sulfonamide previously shown to be effective against the A549 lung adenocarcinoma cell line. Aiming to evaluate its ADME (absorption, distribution, metabolism, and excretion) characteristics for drug development, the study found that 9b possesses favorable physicochemical properties, including a pKa of 12.35, LogP of 2.89, and LogD of 0.98. Stability tests demonstrated that 9b remains stable in human plasma and liver microsomes for up to 1 h, with moderate plasma protein binding (46%). Metabolite profiling using LC/Q-TOF MS revealed three major metabolites (M1, M2, and M3), whereas in vivo pharmacokinetic analysis via LC/QQQ-MS indicated optimal pharmacokinetic parameters, including Cmax, Tmax, AUC, and a half-life (t1/2) consistent with a balanced pharmacokinetic profile. These results highlight 9b’s promising stability, moderate protein binding, and favorable metabolic profile, positioning it as a strong candidate for further development as an anticancer drug. Given its impressive pharmacokinetic properties and demonstrated efficacy in cancer cell lines, 9b shows significant potential for advancing cancer treatment.

本研究研究了9b的药代动力学、物理化学和代谢物特性,9b是一种新型咪唑嘧啶基磺酰胺,先前被证明对A549肺腺癌细胞系有效。为了评价其ADME(吸收、分布、代谢和排泄)特性,用于药物开发,本研究发现9b具有良好的理化性质,其pKa为12.35,LogP为2.89,LogD为0.98。稳定性试验表明,9b在人血浆和肝微粒体中可保持稳定长达1小时,与血浆蛋白结合适度(46%)。利用LC/Q-TOF MS进行代谢物分析,发现了3种主要代谢物(M1、M2和M3),而通过LC/QQQ-MS进行体内药动学分析,发现了最佳药动学参数,包括Cmax、Tmax、AUC和半衰期(t1/2),符合平衡的药动学特征。这些结果突出了9b具有良好的稳定性、适度的蛋白质结合和良好的代谢特征,使其成为进一步开发抗癌药物的有力候选者。鉴于其令人印象深刻的药代动力学特性和对癌细胞系的疗效,9b显示出推进癌症治疗的巨大潜力。
{"title":"Physicochemical Characterization, Metabolite Profiling, and Preclinical Pharmacokinetic Assessment of a Sulfonamide-Based Pyruvate Kinase M2 Activator for Anticancer Lead Identification","authors":"Rudradip Das,&nbsp;Niraj Rajput,&nbsp;Shailendra Sharma,&nbsp;Dr. Pinaki Sengupta,&nbsp;Dr. Amit Shard","doi":"10.1002/slct.202406039","DOIUrl":"https://doi.org/10.1002/slct.202406039","url":null,"abstract":"<p>This study investigates the pharmacokinetic, physicochemical, and metabolite properties of <b>9b</b>, a novel imidazopyrimidine-based sulfonamide previously shown to be effective against the A549 lung adenocarcinoma cell line. Aiming to evaluate its ADME (absorption, distribution, metabolism, and excretion) characteristics for drug development, the study found that <b>9b</b> possesses favorable physicochemical properties, including a pKa of 12.35, LogP of 2.89, and LogD of 0.98. Stability tests demonstrated that <b>9b</b> remains stable in human plasma and liver microsomes for up to 1 h, with moderate plasma protein binding (46%). Metabolite profiling using LC/Q-TOF MS revealed three major metabolites (<b>M1</b>, <b>M2</b>, and <b>M3</b>), whereas in vivo pharmacokinetic analysis via LC/QQQ-MS indicated optimal pharmacokinetic parameters, including C<sub>max</sub>, T<sub>max</sub>, AUC, and a half-life (t<sub>1/2</sub>) consistent with a balanced pharmacokinetic profile. These results highlight <b>9b</b>’s promising stability, moderate protein binding, and favorable metabolic profile, positioning it as a strong candidate for further development as an anticancer drug. Given its impressive pharmacokinetic properties and demonstrated efficacy in cancer cell lines, <b>9b</b> shows significant potential for advancing cancer treatment.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 16","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Exploring The Clustering-Triggered Emission Behavior of D-(+)-Cellobiose in Gradient Solutions From A New Perspective 从新的角度探索梯度溶液中D-(+)-纤维素二糖的聚簇触发发射行为
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202501680
Prof. Qing Zhou, Xiaoping Lei, Qingfeng Wu, Xiangxi Zhang, Shishen Zhang, Prof. Lingmin Yi

Most nonconventional luminogens exhibit excellent water solubility and biocompatibility demonstrating unique potential for applications in areas such as biological imaging. At present, a series of cellulose based composite materials with photoluminescence (PL) emission properties have been reported, but there is still a lack of in-depth research on the PL emission behavior of the smallest unit of cellulose, D-(+)-Cellobiose (D-Cbs). Herein, with the help of cryo transmission electron microscopy (cryo-TEM), small angle X-ray scattering (SAXS), and theoretical calculation the PL properties and emission mechanism of the D-Cbs aqueous solution are elucidated through clustering-triggered emission mechanism. It is found that the size and distance of aggregates in solution was successfully associated with the cluster emission center. Meanwhile, D-Cbs can efficiently detect Fe3+ ions in mixed metal ions. These results not only closely correlate the real size and distance distribution of aggregates in concentrated solutions with their PL properties but also advance the development of the luminescence mechanism of such material solution systems.

大多数非常规发光物质具有良好的水溶性和生物相容性,在生物成像等领域具有独特的应用潜力。目前,已经报道了一系列具有光致发光(PL)发射性能的纤维素基复合材料,但对纤维素最小单元D-(+)-纤维素二糖(D- cbs)的PL发射行为还缺乏深入的研究。本文通过低温透射电子显微镜(cryo- tem)、x射线小角散射(SAXS)和理论计算,通过聚簇触发发射机制阐明了D-Cbs水溶液的PL性质和发射机制。发现溶液中聚集体的大小和距离与团簇发射中心成功地联系在一起。同时,D-Cbs能有效检测混合金属离子中的Fe3+离子。这些结果不仅将聚集体在浓溶液中的实际尺寸和距离分布与其发光特性密切相关,而且还推动了这类材料溶液体系发光机理的发展。
{"title":"Exploring The Clustering-Triggered Emission Behavior of D-(+)-Cellobiose in Gradient Solutions From A New Perspective","authors":"Prof. Qing Zhou,&nbsp;Xiaoping Lei,&nbsp;Qingfeng Wu,&nbsp;Xiangxi Zhang,&nbsp;Shishen Zhang,&nbsp;Prof. Lingmin Yi","doi":"10.1002/slct.202501680","DOIUrl":"https://doi.org/10.1002/slct.202501680","url":null,"abstract":"<p>Most nonconventional luminogens exhibit excellent water solubility and biocompatibility demonstrating unique potential for applications in areas such as biological imaging. At present, a series of cellulose based composite materials with photoluminescence (PL) emission properties have been reported, but there is still a lack of in-depth research on the PL emission behavior of the smallest unit of cellulose, D-(+)-Cellobiose (D-Cbs). Herein, with the help of cryo transmission electron microscopy (cryo-TEM), small angle X-ray scattering (SAXS), and theoretical calculation the PL properties and emission mechanism of the D-Cbs aqueous solution are elucidated through clustering-triggered emission mechanism. It is found that the size and distance of aggregates in solution was successfully associated with the cluster emission center. Meanwhile, D-Cbs can efficiently detect Fe<sup>3+</sup> ions in mixed metal ions. These results not only closely correlate the real size and distance distribution of aggregates in concentrated solutions with their PL properties but also advance the development of the luminescence mechanism of such material solution systems.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 16","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tailoring Basicity and Surface Structure in CaO/Activated Carbon Catalysts for High-Performance Diethyl Carbonate Synthesis 高性能碳酸二乙酯合成中CaO/活性炭催化剂的碱度和表面结构
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202500844
Liyuan Xu, Xiguang Wang, Yuanyuan Huang, Wei Shen, Ran Wang, Wenxing Yang, Prof. Xin Zhang, Prof. Pengbin Pan, Yuangen Yao

The synthesis of diethyl carbonate (DEC) faces several challenges, including the difficulty in separating and recycling highly active organic alkali catalysts, poor catalyst stability, and high operational costs associated with traditional transesterification methods. Additionally, industrial transesterification processes often suffer from low production capacity and slow reaction kinetics. In this study, we explore the catalytic performance of various metal-compound-based catalysts supported on commercial activated carbon (AC) in a fixed-bed reactor. The development of highly stable and long-life catalysts reduces production costs, while ensuring efficiency, selectivity and stability, and provides a technical reference for the industry to realize continuous production. Among the tested catalysts, 4CaO/AC-600 exhibited the highest catalytic activity, achieving a DMC conversion of 94% and DEC selectivity exceeding 60% under optimal conditions. Characterization results suggest that the excellent performance of 4CaO/AC-600 stems from the following synergistic mechanisms: the strongly basic sites can drive the transesterification reaction efficiently; the porous structure promotes the active site dispersion and reactant diffusion; and the interaction between CaO and AC enhances the structural stability and electronic effect. Furthermore, this study offers valuable insights into the design of efficient catalysts for the industrial-scale synthesis of DEC.

碳酸二乙酯(DEC)的合成面临着一些挑战,包括高活性有机碱催化剂难以分离和回收、催化剂稳定性差以及与传统酯交换反应方法相关的高运营成本。此外,工业化的酯交换工艺往往存在生产能力低和反应动力学缓慢的问题。在本研究中,我们探讨了在固定床反应器中以商用活性炭(AC)为载体的各种金属化合物催化剂的催化性能。高稳定性、长寿命催化剂的开发既能降低生产成本,又能保证效率、选择性和稳定性,为业界实现连续生产提供了技术参考。在测试的催化剂中,4CaO/AC-600 的催化活性最高,在最佳条件下,DMC 转化率达到 94%,DEC 选择性超过 60%。表征结果表明,4CaO/AC-600 的优异性能源于以下协同机制:强碱性位点可高效驱动酯交换反应;多孔结构可促进活性位点分散和反应物扩散;CaO 与 AC 之间的相互作用增强了结构稳定性和电子效应。此外,这项研究还为设计用于工业规模合成 DEC 的高效催化剂提供了宝贵的见解。
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引用次数: 0
Wettability of and Water Adhesion on Gradient TiO2 Nanotubes Fabricated via Bipolar Anodization 通过双极阳极氧化制备的梯度 TiO2 纳米管的润湿性和水附着性
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202500751
Yufeng Li, Cailong Zhou

The investigation of wettability and water adhesion of the gradient TiO2 nanotubes surface can help to understand their manipulation process on droplets. Here, gradient TiO2 nanotubes were prepared via bipolar anodization. The TiO2 nanotubes prepared by 98 V 2 min−1, 60 V 10 min−1, and 30 V 30 min−1 showed different gradient diameters. After modification by 1H,1H,2H,2H-perfluorodecyltrimethoxysilane (FAS), the surfaces near the anode edge reached a superhydrophobic state. In the central area, the surfaces gradually became less hydrophobic. Water adhesive forces of the superhydrophobic regions were lower than 20 µN, while they increased as the contact angle decreased. Moreover, the region with high water adhesion could transform into a sliding superhydrophobic state with low adhesion through a heating process. This paper provides some new insights into the wettability and water adhesion of gradient TiO2 nanotube surfaces.

研究梯度TiO2纳米管表面的润湿性和水粘附性,有助于了解其对液滴的操纵过程。本文采用双极阳极氧化法制备了梯度TiO2纳米管。在98 V 2 min−1、60 V 10 min−1和30 V 30 min−1条件下制备的TiO2纳米管具有不同的梯度直径。经1H,1H,2H,2H-全氟癸基三甲氧基硅烷(FAS)修饰后,阳极边缘附近表面达到超疏水状态。在中心区域,表面逐渐变得不那么疏水。超疏水区的水附着力均小于20µN,随着接触角的减小而增大。此外,高水附着力区域可以通过加热过程转变为低附着力的滑动超疏水状态。本文为梯度TiO2纳米管表面的润湿性和水粘附性提供了一些新的见解。
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引用次数: 0
Copper(II) and Zinc(II) Coordination Compounds with 4-(Pyridin-2-yl)methyleneamino-1,2,4-triazole: Synthesis, Crystal Structure, Thermal Stability, and Antimicrobial Activity 4-(吡啶-2-基)亚甲基氨基-1,2,4-三唑配位铜(II)和锌(II)化合物的合成、晶体结构、热稳定性和抗菌活性
IF 1.9 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-04-22 DOI: 10.1002/slct.202501964
Dr. Anna A. Bovkunova, Dr. Evgeniya S. Bazhina, Dr. Maxim A. Shmelev, Dr. Natalia V. Gogoleva, Natalia O. Andros, Dr. Alexander A. Zubenko, Dr. Danir D. Ismatullin, Prof. Dr. Artem V. Lyamin, Prof. Dr. Mikhail A. Kiskin, Prof. Dr. Igor L. Eremenko

The reaction of copper(II) chloride with azomethine ligand 4-(pyridin-2-yl)methyleneamino-1,2,4-triazole (L) yielded crystals of a 1D coordination polymer [Cu(L)Cl2]n (1), in whose structure metal atoms are bound by L molecules due to nitrogen atoms of imine, pyridyl, and triazole moieties. In contrast to this process, the reaction of zinc(II) chloride with L resulted in the formation of mononuclear complex [Zn(L)2Cl2]·H2O (2), containing L molecules coordinated to the metal center in a monodentate mode due to triazole nitrogen atoms. The structures of the coordination compounds obtained were determined by single-crystal X-ray diffraction. The antimicrobial activity of 1 and 2 was assessed against the bacteria Escherichia coli, Staphylococcus aureus, Streptococcus spp., the fungi Candida albicans, Candida glabrata, Aspergillus fumigatus, Rhizopus oryzae, and the protozoa Colpoda steinii. Compound 1 showed high antiprotozoal activity, as well as significant antifungal activity against C. glabrata, and complex 2 demonstrated high bacteriostatic activity against Streptococcus spp. Thermal stability of 1 and 2 was studied by simultaneous thermal analysis under an argon atmosphere.

氯化铜(II)与亚甲亚胺配体4-(吡啶-2-基)亚甲基氨基-1,2,4-三唑(L)反应生成一维配位聚合物[Cu(L)Cl2]n(1)晶体,其结构中由于亚胺、吡啶和三唑的氮原子,金属原子被L分子束缚。与此相反,氯化锌(II)与L反应形成单核配合物[Zn(L)2Cl2]·H2O(2),由于三唑氮原子的存在,L分子以单齿模式配位在金属中心。所得配位化合物的结构通过单晶x射线衍射测定。测定了1和2对大肠杆菌、金黄色葡萄球菌、链球菌、白色念珠菌、光秃念珠菌、烟曲霉、米根霉和斯坦氏原虫的抑菌活性。化合物1具有较高的抗原生动物活性,对光棘球蚴具有显著的抗真菌活性,而化合物2对链球菌具有较高的抑菌活性。在氩气气氛下对化合物1和2的热稳定性进行了热分析。
{"title":"Copper(II) and Zinc(II) Coordination Compounds with 4-(Pyridin-2-yl)methyleneamino-1,2,4-triazole: Synthesis, Crystal Structure, Thermal Stability, and Antimicrobial Activity","authors":"Dr. Anna A. Bovkunova,&nbsp;Dr. Evgeniya S. Bazhina,&nbsp;Dr. Maxim A. Shmelev,&nbsp;Dr. Natalia V. Gogoleva,&nbsp;Natalia O. Andros,&nbsp;Dr. Alexander A. Zubenko,&nbsp;Dr. Danir D. Ismatullin,&nbsp;Prof. Dr. Artem V. Lyamin,&nbsp;Prof. Dr. Mikhail A. Kiskin,&nbsp;Prof. Dr. Igor L. Eremenko","doi":"10.1002/slct.202501964","DOIUrl":"https://doi.org/10.1002/slct.202501964","url":null,"abstract":"<p>The reaction of copper(II) chloride with azomethine ligand 4-(pyridin-2-yl)methyleneamino-1,2,4-triazole (L) yielded crystals of a 1D coordination polymer [Cu(L)Cl<sub>2</sub>]<i><sub>n</sub></i> (<b>1</b>), in whose structure metal atoms are bound by L molecules due to nitrogen atoms of imine, pyridyl, and triazole moieties. In contrast to this process, the reaction of zinc(II) chloride with L resulted in the formation of mononuclear complex [Zn(L)<sub>2</sub>Cl<sub>2</sub>]·H<sub>2</sub>O (<b>2</b>), containing L molecules coordinated to the metal center in a monodentate mode due to triazole nitrogen atoms. The structures of the coordination compounds obtained were determined by single-crystal X-ray diffraction. The antimicrobial activity of <b>1</b> and <b>2</b> was assessed against the bacteria <i>Escherichia coli</i>, <i>Staphylococcus aureus</i>, <i>Streptococcus</i> spp., the fungi <i>Candida albicans</i>, <i>Candida glabrata</i>, <i>Aspergillus fumigatus</i>, <i>Rhizopus oryzae</i>, and the protozoa <i>Colpoda steinii</i>. Compound <b>1</b> showed high antiprotozoal activity, as well as significant antifungal activity against <i>C. glabrata</i>, and complex <b>2</b> demonstrated high bacteriostatic activity against <i>Streptococcus</i> spp. Thermal stability of <b>1</b> and <b>2</b> was studied by simultaneous thermal analysis under an argon atmosphere.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"10 16","pages":""},"PeriodicalIF":1.9,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143861552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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