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.
{"title":"Hyaluronic Acid-Mediated Ge0.5Fe2.5O4 Nanoparticles: In Relation to Photocatalytic Performance for Organic Dye Degradation","authors":"Shahid Iqbal, Amal M. Al-Mohaimeed, Mohammad Ashraf Hossain, Mohamed Soliman Elshikh, Rashid Iqbal, Lala Gurbanova, Md Rezaul Karim, Muhammad Jamshaid","doi":"10.1002/slct.202500229","DOIUrl":"https://doi.org/10.1002/slct.202500229","url":null,"abstract":"<p>The present study reports the systematic synthesis, characterization, and photocatalytic evaluation of germanium-substituted iron oxide (Ge<sub>0.5</sub>Fe<sub>2.5</sub>O<sub>4</sub>) 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 Ge<sub>0.5</sub>Fe<sub>2.5</sub>O<sub>4</sub> 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 Ge<sub>0.5</sub>Fe<sub>2.5</sub>O<sub>4</sub> exhibited an impressive 89.11% degradation rate, greater than (6% and 12%) HA-modified Ge<sub>0.5</sub>Fe<sub>2.5</sub>O<sub>4</sub> photocatalysts. These findings highlight the complex interaction between surface chemistry, porosity, and catalytic activity.</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":"143857127","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}
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.
{"title":"Research on the Controlled Synthesis of Phenolic Resin-Based Carbon Microspheres and Their Sodium Storage Behavior","authors":"Qianqian Ma, Yilin Wang, Zonglin Yi, Lijing Xie, Fangyuan Su, Guohua Sun, Gongling Hui, Wei Xie, Chengmeng Chen, Yaqin Hou","doi":"10.1002/slct.202500414","DOIUrl":"https://doi.org/10.1002/slct.202500414","url":null,"abstract":"<p>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.</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":"143861553","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}
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.
{"title":"Green and Tandem Synthesis of Heterocyclic α,α’-Dibromocycloamides and Their Target Predictions and ADMET Analysis","authors":"Dinesh S Shinde, Aarzoo F Qazi, Harshal R Patil, Ritvika Shukla, Dr. Rajendra D Patil, Dr. Pawan Gupta","doi":"10.1002/slct.202501499","DOIUrl":"https://doi.org/10.1002/slct.202501499","url":null,"abstract":"<p>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.</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":"143856786","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}
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.
{"title":"Antiproliferative and Antifungal Activity of Penicillic Acid in Comparison with Its Different Derivatives","authors":"A. K. Bauri, P. D. Sherkhane, Nathan Mirtallo Ezzone, Kaushik Banerjee, Esperanza J. Carcache de Blanco, Ashwani Kumar, Sabine Foro","doi":"10.1002/slct.202404274","DOIUrl":"https://doi.org/10.1002/slct.202404274","url":null,"abstract":"<p>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 <i>Penicillium polonicum</i>. It exhibited high inhibitory activity against a plant pathogen <i>Pythium aphanidermatum</i>. 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 <i>P. aphanidermatum</i>. 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 IC<sub>50</sub> 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 <i>viz</i>. dihydropenicillic acid (<b>2</b>), bromohydroxy penicillic acid (<b>3</b>), dibromo-penicillic acid (<b>4</b>), bromosuccinmidyl-penicillic acid (<b>5</b>), bromohydro-penicillic acid (<b>6</b>), demethoxy-penicillic acid (<b>7</b>), sulphated-penicillic acid (<b>8</b>), hydroxyl penicillic acid (<b>9</b>), and bromo-amino penicillic acid (<b>10</b>) showed inhibitory activity against <i>P. aphanidermatum</i>.</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":"143857128","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}
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.
{"title":"Study on Synthesis, Structural, and Photocatalytic Properties of MnTiO3","authors":"Guo Bin, Rabigul Tursun, Ma Shuaiwu","doi":"10.1002/slct.202501101","DOIUrl":"https://doi.org/10.1002/slct.202501101","url":null,"abstract":"<p>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, MnTiO<sub>3</sub> 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 MnTiO<sub>3</sub> phase can be obtained. Among them, the MnTi<sub>0.9</sub>O<sub>3</sub>-900 °C/2 h sample composed of MnTiO<sub>3</sub>, TiO<sub>2</sub>, and Mn<sub>2</sub>O<sub>3</sub> phases showed the highest photocatalytic degradation efficiency (54.3%) towards Mb. The mechanism of the excellent photocatalytic activity of MnTi<sub>0.9</sub>O<sub>3</sub>-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.</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":"143861649","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}
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.
{"title":"Physicochemical Characterization, Metabolite Profiling, and Preclinical Pharmacokinetic Assessment of a Sulfonamide-Based Pyruvate Kinase M2 Activator for Anticancer Lead Identification","authors":"Rudradip Das, Niraj Rajput, Shailendra Sharma, Dr. Pinaki Sengupta, 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}
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.
{"title":"Exploring The Clustering-Triggered Emission Behavior of D-(+)-Cellobiose in Gradient Solutions From A New Perspective","authors":"Prof. Qing Zhou, Xiaoping Lei, Qingfeng Wu, Xiangxi Zhang, Shishen Zhang, 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}
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。
{"title":"Tailoring Basicity and Surface Structure in CaO/Activated Carbon Catalysts for High-Performance Diethyl Carbonate Synthesis","authors":"Liyuan Xu, Xiguang Wang, Yuanyuan Huang, Wei Shen, Ran Wang, Wenxing Yang, Prof. Xin Zhang, Prof. Pengbin Pan, Yuangen Yao","doi":"10.1002/slct.202500844","DOIUrl":"https://doi.org/10.1002/slct.202500844","url":null,"abstract":"<p>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.</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":"143857124","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}
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。
{"title":"Wettability of and Water Adhesion on Gradient TiO2 Nanotubes Fabricated via Bipolar Anodization","authors":"Yufeng Li, Cailong Zhou","doi":"10.1002/slct.202500751","DOIUrl":"https://doi.org/10.1002/slct.202500751","url":null,"abstract":"<p>The investigation of wettability and water adhesion of the gradient TiO<sub>2</sub> nanotubes surface can help to understand their manipulation process on droplets. Here, gradient TiO<sub>2</sub> nanotubes were prepared via bipolar anodization. The TiO<sub>2</sub> nanotubes prepared by 98 V 2 min<sup>−1</sup>, 60 V 10 min<sup>−1</sup>, and 30 V 30 min<sup>−1</sup> showed different gradient diameters. After modification by 1<i>H</i>,1<i>H</i>,2<i>H</i>,2<i>H</i>-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 TiO<sub>2</sub> nanotube surfaces.</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":"143857126","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}
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.
{"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, 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","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}