首页 > 最新文献

Inorganic Chemistry Communications最新文献

英文 中文
Synthesis of Ca(II), Mg(II), and VO(II) tridentate Schiff Base complexes as potential antitumor candidates: Spectroscopic, antioxidant activity, DFT, and DNA docking studies Ca(II)、Mg(II)和VO(II)三齿希夫碱配合物作为潜在抗肿瘤候选物的合成:光谱、抗氧化活性、DFT和DNA对接研究
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-01-07 DOI: 10.1016/j.inoche.2025.116131
Shimaa M. Abdel-Fatah , Laila H. Abdel-Rahman , Amani A. Abdelghani , Mohamed R. Shehata , Ayman Nafady
In this work, an imine ligand was created by condensing 2-amino-3-hydroxypyridine with o-vanillin. Schiff base complexes of Ca(II), Mg(II), and VO(II) were developed and characterized through IR, TGA, UV/Vis, and 1H NMR procedures in conjunction with elemental (CHN) analysis, mass spectrometry, conductivity, magnetic characteristics, and powder X-ray diffraction (XRD). The octahedral forms of the Ca(II) and Mg(II) are verified by spectrophotometric and magnetic susceptibility examinations. All complexes exhibit outstanding antimicrobial properties against a range of bacterial and fungal species, as demonstrated by biological research. The overall sequence of antimicrobial effectiveness was VO(II) > Mg(II) > Ca(II) > H₂D, with the VO(II) complex displaying the greatest antibacterial potency and the widest inhibition zone towards Gram-negative bacteria. In contrast, antifungal assays towards Aspergillus flavus revealed an activity trend of Ca(II) > Mg(II) > VO(II) > H₂D, with the Ca(II) complex displaying the greatest antifungal potency. Moreover, the synthesized complexes exhibited significant cytotoxic potency towards cancer cell lines, particularly HCT-116, with the Ca(II) complex displaying the highest anticancer activity (IC50 = 5.36)when compared to Vinblastine. In addition, these compounds demonstrated remarkable free radical scavenging potential, highlighting their promising antioxidant properties. Theoretically, the equilibrium geometries of the ligand and its metal complexes were optimized via Density Functional Theory (DFT) simulations. Finally, to clarify the potential binding mechanisms of the developed complexes to the active sites of bacterial and human DNA receptors, molecular docking experiments were conducted.
在这项工作中,亚胺配体是由2-氨基-3-羟基吡啶与邻香兰素缩合而成的。研究了Ca(II)、Mg(II)和VO(II)的希夫碱配合物,并通过IR、TGA、UV/Vis和1H NMR方法,结合元素(CHN)分析、质谱分析、电导率、磁特性和粉末x射线衍射(XRD)进行了表征。用分光光度法和磁化率法证实了Ca(II)和Mg(II)的八面体形式。生物学研究表明,所有复合物对一系列细菌和真菌物种都具有出色的抗菌性能。抑菌效果总体顺序为VO(II) > Mg(II) > Ca(II) > H₂D,其中VO(II)复合物对革兰氏阴性菌抑菌效果最强,抑菌带最宽。对黄曲霉的抑菌活性分析显示Ca(II) > Mg(II) >; VO(II) >; H₂D的活性趋势,其中Ca(II)复合物的抑菌活性最强。此外,合成的复合物对癌细胞表现出显著的细胞毒性,特别是对HCT-116,与长春花碱相比,Ca(II)复合物显示出最高的抗癌活性(IC50 = 5.36)。此外,这些化合物显示出显著的自由基清除潜力,突出了它们的抗氧化性能。理论上,通过密度泛函理论(DFT)模拟优化了配体及其金属配合物的平衡几何形状。最后,为了明确所构建的复合物与细菌和人类DNA受体活性位点的潜在结合机制,进行了分子对接实验。
{"title":"Synthesis of Ca(II), Mg(II), and VO(II) tridentate Schiff Base complexes as potential antitumor candidates: Spectroscopic, antioxidant activity, DFT, and DNA docking studies","authors":"Shimaa M. Abdel-Fatah ,&nbsp;Laila H. Abdel-Rahman ,&nbsp;Amani A. Abdelghani ,&nbsp;Mohamed R. Shehata ,&nbsp;Ayman Nafady","doi":"10.1016/j.inoche.2025.116131","DOIUrl":"10.1016/j.inoche.2025.116131","url":null,"abstract":"<div><div>In this work, an imine ligand was created by condensing 2-amino-3-hydroxypyridine with o-vanillin. Schiff base complexes of Ca(II), Mg(II), and VO(II) were developed and characterized through IR, TGA, UV/Vis, and <sup>1</sup>H NMR procedures in conjunction with elemental (CHN) analysis, mass spectrometry, conductivity, magnetic characteristics, and powder X-ray diffraction (XRD). The octahedral forms of the Ca(II) and Mg(II) are verified by spectrophotometric and magnetic susceptibility examinations. All complexes exhibit outstanding antimicrobial properties against a range of bacterial and fungal species, as demonstrated by biological research. The overall sequence of antimicrobial effectiveness was VO(II) &gt; Mg(II) &gt; Ca(II) &gt; H₂D, with the VO(II) complex displaying the greatest antibacterial potency and the widest inhibition zone towards Gram-negative bacteria. In contrast, antifungal assays towards Aspergillus flavus revealed an activity trend of Ca(II) &gt; Mg(II) &gt; VO(II) &gt; H₂D, with the Ca(II) complex displaying the greatest antifungal potency. Moreover, the synthesized complexes exhibited significant cytotoxic potency towards cancer cell lines, particularly HCT-116, with the Ca(II) complex displaying the highest anticancer activity (IC<sub>50</sub> = 5.36)when compared to Vinblastine. In addition, these compounds demonstrated remarkable free radical scavenging potential, highlighting their promising antioxidant properties. Theoretically, the equilibrium geometries of the ligand and its metal complexes were optimized via Density Functional Theory (DFT) simulations. Finally, to clarify the potential binding mechanisms of the developed complexes to the active sites of bacterial and human DNA receptors, molecular docking experiments were conducted.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116131"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Eco-friendly synthesis of silver nanoparticles from Camellia Chrysantha (Hu) Tuyama with potential anti-COVID application: Exploration via computational and experimental methods 具有抗covid - 19应用潜力的山茶纳米银的生态合成:通过计算和实验方法的探索
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-01-14 DOI: 10.1016/j.inoche.2026.116196
Truong Tan Trung , Tran Dinh Loc , Nguyen Thanh Si , Nguyen Thanh Cong , Vo Van Lenh , Phuong-Thao Do , Pham Tran Nguyen Nguyen , Khuong Quoc Vo
Camellia Chrysantha (Hu) Tuyama (CCT) is a valuable medicinal herb containing bioactive compounds with inhibitory activities against 3CLpro/Mpro of COVID-19. In this study, silver nanoparticles (AgNPs) were synthesized using the aqueous extract of CCT, and the role of CCT compounds in nanoparticle formation was investigated through combined experimental and computational approaches. Specifically, twelve major compounds were used for computational modeling, such as Catechin, Vitexin, Isovitexin, Quercetin-7-O-β-D glucopyranoside, Kaempferol, β-Amyrin, Friedelin, Friedelanol, Chondrillasterol, Epigallocatechin gallate (EGCG), Quercetin, and Rutin. The mechanism for stabilizing and reducing the Ag+ → Ago by density functional theory (DFT) was carried out at the B3LYP/cc-pVTZ level of theory. DFT-based analysis proved that Epigallocatechin gallate (EGCG) was mainly responsible for stabilizing AgNPs with a binding energy of −39.79 kJ/mol. In-silico studies showed that EGCG effectively penetrated the RBD-ACE2 interface, both in free form and when attached to AgNPs, with a binding energy of −9.72 kcal/mol, indicating potential antiviral activity.
Characterization of AgNPs confirmed successful synthesis: UV–vis spectral revealed a surface plasmon resonance (SPR) band at 486 nm, and Fourier transform infrared (FTIR) analysis confiírm the presence of functional groups on the CCT extract that act as reducing agents and stabilizers for AgNPs. The X-ray diffraction (XRD) pattern showed the face-centered cubic structure of AgNPs. The morphology and sizes of AgNPs were assessed by scanning electron microscope (SEM) and transmission electron microscopy (TEM), with TEM revealing an average size of 30.71 ± 6.31 nm, smaller than SEM measurements (43 ± 9 nm) due to the removal of the organic layer at high acceleration voltage. Dynamic light scattering (DLS) showed an average hydrodynamic size of 45.9 nm, while EDS confirmed a high Ag content (84.93 atomic%, 98.06 wt%), indicating successful nanoparticle formation and colloidal stability. As a result of computational and experimental studies, it can be helpful in designing a new anti-COVID drug for silver nanoparticles.
山茶(Camellia Chrysantha (Hu) Tuyama, CCT)是一种具有抑制新冠病毒3CLpro/Mpro活性的活性化合物。本研究利用CCT的水提物合成了银纳米颗粒(AgNPs),并通过实验和计算相结合的方法研究了CCT化合物在纳米颗粒形成中的作用。具体来说,计算模型使用了12种主要化合物,如儿茶素、牡荆素、异牡荆素、槲皮素-7- o -β-D葡萄糖苷、山奈酚、β-Amyrin、Friedelin、Friedelanol、Chondrillasterol、表没食子儿茶素没食子酸酯(EGCG)、槲皮素和芦丁。在B3LYP/cc-pVTZ的理论水平上,探讨了密度泛函理论(DFT)稳定和还原Ag+→Ago的机理。基于dft的分析表明,EGCG (Epigallocatechin gallate,表没食子儿茶素没食子酸酯)是稳定AgNPs的主要物质,其结合能为−39.79 kJ/mol。实验结果表明,EGCG能有效地穿透RBD-ACE2的界面,无论是自由形式还是与AgNPs结合,其结合能均为- 9.72 kcal/mol,显示出潜在的抗病毒活性。AgNPs的表征证实了成功合成:紫外-可见光谱显示了486 nm的表面等离子体共振(SPR)波段,傅里叶变换红外(FTIR)分析confiírm发现CCT提取物上存在作为AgNPs还原剂和稳定剂的官能团。x射线衍射(XRD)图谱显示AgNPs的面心立方结构。通过扫描电子显微镜(SEM)和透射电子显微镜(TEM)对AgNPs的形貌和尺寸进行了表征,由于在高加速电压下去除了有机层,TEM的平均尺寸为30.71±6.31 nm,小于SEM的43±9 nm。动态光散射(DLS)结果显示,纳米颗粒的平均水动力尺寸为45.9 nm,能谱分析(EDS)结果显示,纳米颗粒的银含量较高(84.93原子%,98.06重量%),表明纳米颗粒形成成功,胶体稳定。计算和实验研究的结果有助于设计一种新的抗covid纳米银药物。
{"title":"Eco-friendly synthesis of silver nanoparticles from Camellia Chrysantha (Hu) Tuyama with potential anti-COVID application: Exploration via computational and experimental methods","authors":"Truong Tan Trung ,&nbsp;Tran Dinh Loc ,&nbsp;Nguyen Thanh Si ,&nbsp;Nguyen Thanh Cong ,&nbsp;Vo Van Lenh ,&nbsp;Phuong-Thao Do ,&nbsp;Pham Tran Nguyen Nguyen ,&nbsp;Khuong Quoc Vo","doi":"10.1016/j.inoche.2026.116196","DOIUrl":"10.1016/j.inoche.2026.116196","url":null,"abstract":"<div><div><em>Camellia Chrysantha</em> (Hu) Tuyama (CCT) is a valuable medicinal herb containing bioactive compounds with inhibitory activities against 3CLpro/Mpro of COVID-19. In this study, silver nanoparticles (AgNPs) were synthesized using the aqueous extract of CCT, and the role of CCT compounds in nanoparticle formation was investigated through combined experimental and computational approaches. Specifically, twelve major compounds were used for computational modeling, such as Catechin, Vitexin, Isovitexin, Quercetin-7-O-β-D glucopyranoside, Kaempferol, β-Amyrin, Friedelin, Friedelanol, Chondrillasterol, Epigallocatechin gallate (EGCG), Quercetin, and Rutin. The mechanism for stabilizing and reducing the Ag<sup>+</sup> → Ag<sup>o</sup> by density functional theory (DFT) was carried out at the B3LYP/cc-pVTZ level of theory. DFT-based analysis proved that Epigallocatechin gallate (EGCG) was mainly responsible for stabilizing AgNPs with a binding energy of −39.79 kJ/mol. In-silico studies showed that EGCG effectively penetrated the RBD-ACE2 interface, both in free form and when attached to AgNPs, with a binding energy of −9.72 kcal/mol, indicating potential antiviral activity.</div><div>Characterization of AgNPs confirmed successful synthesis: UV–vis spectral revealed a surface plasmon resonance (SPR) band at 486 nm, and Fourier transform infrared (FTIR) analysis confiírm the presence of functional groups on the CCT extract that act as reducing agents and stabilizers for AgNPs. The X-ray diffraction (XRD) pattern showed the face-centered cubic structure of AgNPs. The morphology and sizes of AgNPs were assessed by scanning electron microscope (SEM) and transmission electron microscopy (TEM), with TEM revealing an average size of 30.71 ± 6.31 nm, smaller than SEM measurements (43 ± 9 nm) due to the removal of the organic layer at high acceleration voltage. Dynamic light scattering (DLS) showed an average hydrodynamic size of 45.9 nm, while EDS confirmed a high Ag content (84.93 atomic%, 98.06 wt%), indicating successful nanoparticle formation and colloidal stability. As a result of computational and experimental studies, it can be helpful in designing a new anti-COVID drug for silver nanoparticles.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116196"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Green engineered TiO₂-chitosan nanoparticles using Salvia coccinea leaf extract: In-vitro antioxidant and anti-inflammatory potential for wound healing properties 使用鼠尾草叶提取物的绿色工程TiO 2 -壳聚糖纳米颗粒:体外抗氧化和抗炎潜力的伤口愈合特性
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-01-02 DOI: 10.1016/j.inoche.2025.116132
J.L. Mercy , Fahd A. Nasr , Mohammed Al-zharani , Manickam Rajkumar , Manivannan Govindasamy , Pachaiyappan Murugan , Dharmalingam Kirubakaran
Salvia coccinea, a traditionally valued medicinal plant, is recognized for its rich phytochemical profile and therapeutic potential. In this study, TiO₂-coated chitosan nanoparticles (TiO₂-CS NPs) were synthesized through a green, eco-friendly approach using S. coccinea leaf extract as a reducing and stabilizing agent. The nanoparticles were characterized by UV–Vis spectroscopy, FTIR, XRD, FE-SEM and EDAX analyses. UV–Vis spectra exhibited a distinct absorption peak at 285 nm, confirming nanoparticle formation. FTIR results indicated the presence of functional groups such as alkenes and carboxylic acids, suggesting their role in nanoparticle stabilization. XRD patterns confirmed the crystalline nature of TiO₂-CS NPs, while FE-SEM images revealed predominantly spherical structures. EDAX analysis verified the elemental composition of titanium, oxygen, and carbon. The particle size measurements ranged between 14.8 nm and 48.8 nm, confirming their nanoscale dimension. Biological evaluation demonstrated that TiO₂-CS NPs possess potent antioxidant activity, achieving 85.26 % DPPH radical scavenging. Anti-inflammatory assays, including protein denaturation inhibition (77.17 %) and HRBC membrane stabilization (72.66 %), revealed significant protective effects. Moreover, the nanoparticles enhanced wound healing, particularly at higher concentrations (23.88 μg/mL), as evidenced by accelerated cell migration and tissue repair. Overall, the green-synthesized TiO₂-CS NPs derived from S. coccinea exhibit multifunctional bioactivities, highlighting their potential as promising agents for biomedical applications.
鼠尾草(Salvia coccinea)是一种传统的药用植物,因其丰富的植物化学成分和治疗潜力而被公认。本研究以葡萄球菌叶提取物为还原剂和稳定剂,采用绿色环保的方法合成了TiO₂包被壳聚糖纳米颗粒(TiO₂-CS NPs)。采用紫外可见光谱、FTIR、XRD、FE-SEM和EDAX对纳米颗粒进行了表征。紫外可见光谱在285 nm处显示出明显的吸收峰,证实了纳米颗粒的形成。FTIR结果表明,在纳米颗粒中存在烯烃和羧酸等官能团,表明它们在纳米颗粒稳定中的作用。XRD图证实了tio2 -CS NPs的结晶性质,而FE-SEM图则显示了主要的球形结构。EDAX分析证实了钛、氧和碳的元素组成。颗粒尺寸测量范围在14.8 nm到48.8 nm之间,证实了它们的纳米尺寸。生物学评价表明,TiO₂-CS NPs具有强大的抗氧化活性,达到85.26%的DPPH自由基清除率。抗炎试验,包括蛋白变性抑制(77.17%)和HRBC膜稳定(72.66%),显示出显著的保护作用。此外,纳米颗粒促进伤口愈合,特别是在较高浓度(23.88 μg/mL)时,加速细胞迁移和组织修复。总体而言,绿色合成的来自球菌的TiO₂-CS NPs表现出多功能生物活性,突出了它们作为生物医学应用的潜力。
{"title":"Green engineered TiO₂-chitosan nanoparticles using Salvia coccinea leaf extract: In-vitro antioxidant and anti-inflammatory potential for wound healing properties","authors":"J.L. Mercy ,&nbsp;Fahd A. Nasr ,&nbsp;Mohammed Al-zharani ,&nbsp;Manickam Rajkumar ,&nbsp;Manivannan Govindasamy ,&nbsp;Pachaiyappan Murugan ,&nbsp;Dharmalingam Kirubakaran","doi":"10.1016/j.inoche.2025.116132","DOIUrl":"10.1016/j.inoche.2025.116132","url":null,"abstract":"<div><div><em>Salvia coccinea</em>, a traditionally valued medicinal plant, is recognized for its rich phytochemical profile and therapeutic potential. In this study, TiO₂-coated chitosan nanoparticles (TiO₂-CS NPs) were synthesized through a green, eco-friendly approach using <em>S. coccinea</em> leaf extract as a reducing and stabilizing agent. The nanoparticles were characterized by UV–Vis spectroscopy, FTIR, XRD, FE-SEM and EDAX analyses. UV–Vis spectra exhibited a distinct absorption peak at 285 nm, confirming nanoparticle formation. FTIR results indicated the presence of functional groups such as alkenes and carboxylic acids, suggesting their role in nanoparticle stabilization. XRD patterns confirmed the crystalline nature of TiO₂-CS NPs, while FE-SEM images revealed predominantly spherical structures. EDAX analysis verified the elemental composition of titanium, oxygen, and carbon. The particle size measurements ranged between 14.8 nm and 48.8 nm, confirming their nanoscale dimension. Biological evaluation demonstrated that TiO₂-CS NPs possess potent antioxidant activity, achieving 85.26 % DPPH radical scavenging. Anti-inflammatory assays, including protein denaturation inhibition (77.17 %) and HRBC membrane stabilization (72.66 %), revealed significant protective effects. Moreover, the nanoparticles enhanced wound healing, particularly at higher concentrations (23.88 μg/mL), as evidenced by accelerated cell migration and tissue repair. Overall, the green-synthesized TiO₂-CS NPs derived from <em>S. coccinea</em> exhibit multifunctional bioactivities, highlighting their potential as promising agents for biomedical applications.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116132"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145924266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Synthesis, characterisation, crystal structure of silver and palladium N-heterocyclic carbene complexes, and investigation of their antimicrobial and catalytic activities 银和钯n -杂环碳络合物的合成、表征、晶体结构及其抑菌和催化活性的研究
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-02-17 DOI: 10.1016/j.inoche.2026.116348
Nazan Kaloğlu , Melda Altıkatoğlu Yapaöz , Thierry Roisnel , Murat Kaloğlu
In this study, three 1,3-disubstituted imidazolium salts as the N-heterocyclic carbene (NHC) precursors were synthesized. Using these salts, air- and moisture-stable three new silver-NHC complexes, and six new PEPPSI-type (PEPPSI = Pyridine Enhanced Pre-catalyst Preparation Stabilization and Initiation) palladium-NHC complexes were prepared. The structures of all compounds were fully characterized by different spectroscopic and analytical techniques. The more detailed structural characterisation of four of the palladium-NHC complexes was determined by single-crystal X-ray diffraction study. The antimicrobial activities all of the compounds were tested against human pathogenic Gram-positive (S. aureus) and Gram-negative (E. coli) bacterial strains, and fungal strain (A. niger) as potential metallopharmaceutical agents. All synthesized compounds exhibited MIC values ranging from 8 to 128 μg/mL in antimicrobial assays, thereby confirming their effectiveness as antimicrobial agents against the tested microorganisms. Moreover, all palladium–NHC complexes were employed as catalysts in the direct arylation of nitrogen-containing five-membered heterocyclic compounds such as 3,5-dimethylisoxazole and 1-methyl-1H-pyrrole-2-carboxaldehyde with (hetero)aryl bromides. The desired arylated products were secured in moderate to good yields at 100 °C with a 0.5 mol% catalyst loading after just 1 h. Under the tested conditions, (hetero)aryl bromides served successfully as arylating reagents, affording selectively C4-arylated isoxazoles and C5-arylated pyrroles in acceptable to high yields.
本研究合成了3种1,3-二取代咪唑盐作为n -杂环碳(NHC)前体。利用这些盐,制备了3种空气和水分稳定的新型银- nhc配合物和6种新型PEPPSI型(PEPPSI =吡啶增强预催化剂制备、稳定和引发)钯- nhc配合物。用不同的光谱和分析技术对化合物的结构进行了全面表征。通过单晶x射线衍射研究确定了四种钯- nhc配合物的更详细的结构特征。所有化合物对人致病性革兰氏阳性菌(金黄色葡萄球菌)、革兰氏阴性菌(大肠杆菌)和真菌(黑曲霉)作为潜在的金属药物进行了抑菌活性测试。所有合成的化合物在抗菌试验中的MIC值在8 ~ 128 μg/mL之间,从而证实了它们作为抗菌药物对被测微生物的有效性。此外,所有钯- nhc配合物都被用作催化剂,用于含氮五元杂环化合物如3,5-二甲基异恶唑和1-甲基- 1h -吡咯-2-甲醛与(杂)芳基溴的直接芳化。在100°C条件下,在0.5 mol%的催化剂负载下,只需1小时,即可获得所需的芳基化产物,收率中等至较高。在测试条件下,(杂)芳基溴成功地作为芳基化试剂,可获得选择性的c4芳基化异唑和c5芳基化吡咯,收率可接受。
{"title":"Synthesis, characterisation, crystal structure of silver and palladium N-heterocyclic carbene complexes, and investigation of their antimicrobial and catalytic activities","authors":"Nazan Kaloğlu ,&nbsp;Melda Altıkatoğlu Yapaöz ,&nbsp;Thierry Roisnel ,&nbsp;Murat Kaloğlu","doi":"10.1016/j.inoche.2026.116348","DOIUrl":"10.1016/j.inoche.2026.116348","url":null,"abstract":"<div><div>In this study, three 1,3-disubstituted imidazolium salts as the <em>N</em>-heterocyclic carbene (NHC) precursors were synthesized. Using these salts, air- and moisture-stable three new silver-NHC complexes, and six new PEPPSI-type (PEPPSI = Pyridine Enhanced Pre-catalyst Preparation Stabilization and Initiation) palladium-NHC complexes were prepared. The structures of all compounds were fully characterized by different spectroscopic and analytical techniques. The more detailed structural characterisation of four of the palladium-NHC complexes was determined by single-crystal X-ray diffraction study. The antimicrobial activities all of the compounds were tested against human pathogenic Gram-positive (<em>S. aureus</em>) and Gram-negative (<em>E. coli</em>) bacterial strains, and fungal strain (<em>A. niger</em>) as potential metallopharmaceutical agents. All synthesized compounds exhibited MIC values ranging from 8 to 128 μg/mL in antimicrobial assays, thereby confirming their effectiveness as antimicrobial agents against the tested microorganisms. Moreover, all palladium–NHC complexes were employed as catalysts in the direct arylation of nitrogen-containing five-membered heterocyclic compounds such as 3,5-dimethylisoxazole and 1-methyl-1<em>H</em>-pyrrole-2-carboxaldehyde with (hetero)aryl bromides. The desired arylated products were secured in moderate to good yields at 100 °C with a 0.5 mol% catalyst loading after just 1 h. Under the tested conditions, (hetero)aryl bromides served successfully as arylating reagents, affording selectively C4-arylated isoxazoles and C5-arylated pyrroles in acceptable to high yields.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116348"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147385364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Palladium nanoparticles supported on amine-functionalized NiAl layered double hydroxides and investigation of their catalytic role against formic acid dehydrogenation 胺功能化NiAl层状双氢氧化物负载钯纳米粒子及其对甲酸脱氢催化作用的研究
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-01-21 DOI: 10.1016/j.inoche.2026.116207
Nurcan Kızılbulut , Nuray Yılmaz Baran , Talat Baran
Energy is essential for modern life, but reliance on fossil fuels is unsustainable due to environmental and health risks. Renewable hydrogen is a promising alternative, though challenges remain in its mild production and safe storage. Formic acid (FA), a liquid, non-explosive, biomass-derived hydrogen carrier, offers a safe and efficient route, making its selective catalytic dehydrogenation a key method for hydrogen generation. In this study, we fabricated amine-modified layered double hydroxide supported Pd nanoparticles (Pd@NiAl LDHs–NH2) as a catalyst for H2 production via FA dehydrogenation. The fabricated Pd@NiAl LDHs–NH2 nanocatalyst was successfully characterized by FT-IR, TEM, EDS, XRD, and EDS mapping analyses, showing Pd particle sizes of around 15 nm. Performed studies revealed that 50 mg of the Pd@NiAl LDHs–NH2 nanocatalyst exhibited the highest initial turnover frequency (TOF) of 267 h−1 within the first 10 min at 50 °C. The activation energy for Pd@NiAl LDHs–NH2 was calculated as 46.7 kJ/mol. The Pd@NiAl LDH–NH2 was also successfully recovered and reused three times in FA dehydrogenation.
能源对现代生活至关重要,但由于环境和健康风险,依赖化石燃料是不可持续的。可再生氢是一种很有前途的替代品,尽管其温和的生产和安全的储存仍然存在挑战。甲酸(FA)作为一种液态、非爆炸性的生物质制氢载体,提供了一种安全高效的途径,使其选择性催化脱氢成为制氢的关键方法。在本研究中,我们制备了胺修饰的层状双氢氧化物负载Pd纳米粒子(Pd@NiAl LDHs-NH2)作为FA脱氢制氢的催化剂。通过FT-IR、TEM、EDS、XRD和EDS图谱分析对制备的Pd@NiAl LDHs-NH2纳米催化剂进行了表征,发现Pd粒径约为15 nm。已有的研究表明,在50°C条件下,50 mg Pd@NiAl LDHs-NH2纳米催化剂在前10分钟内的最高初始周转频率(TOF)为267 h−1。计算得到Pd@NiAl LDHs-NH2的活化能为46.7 kJ/mol。Pd@NiAl LDH-NH2也被成功回收,并在FA脱氢中重复使用了三次。
{"title":"Palladium nanoparticles supported on amine-functionalized NiAl layered double hydroxides and investigation of their catalytic role against formic acid dehydrogenation","authors":"Nurcan Kızılbulut ,&nbsp;Nuray Yılmaz Baran ,&nbsp;Talat Baran","doi":"10.1016/j.inoche.2026.116207","DOIUrl":"10.1016/j.inoche.2026.116207","url":null,"abstract":"<div><div>Energy is essential for modern life, but reliance on fossil fuels is unsustainable due to environmental and health risks. Renewable hydrogen is a promising alternative, though challenges remain in its mild production and safe storage. Formic acid (FA), a liquid, non-explosive, biomass-derived hydrogen carrier, offers a safe and efficient route, making its selective catalytic dehydrogenation a key method for hydrogen generation. In this study, we fabricated amine-modified layered double hydroxide supported Pd nanoparticles (Pd@NiAl LDHs–NH<sub>2</sub>) as a catalyst for H<sub>2</sub> production via FA dehydrogenation. The fabricated Pd@NiAl LDHs–NH<sub>2</sub> nanocatalyst was successfully characterized by FT-IR, TEM, EDS, XRD, and EDS mapping analyses, showing Pd particle sizes of around 15 nm. Performed studies revealed that 50 mg of the Pd@NiAl LDHs–NH<sub>2</sub> nanocatalyst exhibited the highest initial turnover frequency (TOF) of 267 h<sup>−1</sup> within the first 10 min at 50 °C. The activation energy for Pd@NiAl LDHs–NH<sub>2</sub> was calculated as 46.7 kJ/mol. The Pd@NiAl LDH–NH<sub>2</sub> was also successfully recovered and reused three times in FA dehydrogenation.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116207"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Multifunctional TiO2/K2SO4@MoS2 nanocomposite with superior photocatalytic degradation of Brilliant Green and Rose Bengal dyes, along with potent antibacterial activity 多功能TiO2/K2SO4@MoS2纳米复合材料具有优异的光催化降解亮绿和玫瑰孟加拉染料,以及有效的抗菌活性
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-01-22 DOI: 10.1016/j.inoche.2026.116220
Krishna Raj Chinnadurai , Siranjeevi Ravichandran , Susmitha Ravichandran , Sameera Shabnum Saleem
The present study reported the synthesis approach, antibacterial, and photocatalytic activity of TiO2/K2SO4@MoS2 nanocomposites. In contrast to previously reported TiO2-MoS2 based photocatalysts that primarily focus on single-function dye degradation, the present work emphasizes a multifunctional nanocomposite design. This study investigates the use of UV light to enhance the degradation of organic contaminants in wastewater by photocatalysis. Titanium dioxide-doped potassium sulphate and molybdenum disulfide nanocomposites (TiO2/K2SO4@MoS2 NCs) synthesized by the co-precipitation method were applied to the photodegradation of Brilliant Green (BG) and Rose Bengal (RB) dyes under UV light. The synthesized TiO2/K2SO4@MoS2 novel nanocomposites underwent comprehensive characterization using SEM-EDS, XRD, FTIR, and UV–visible spectroscopy techniques, confirming the successful insertion of TiO2/K2SO4 into the MoS2 nanosheets. Compared to previously reported TiO2/K2SO4 based nanocomposite, the incorporation of MoS2 provides improved interfacial charge transfer and suppresses electron-hole recombination. The results showed that TiO2/K2SO4@MoS2 hybrid nanocomposites exhibited enhanced activity in oxidizing BG and RB dyes in water under UV light irradiation compared to pure TiO2/K2SO4 within 60 min. The results indicate that the effectiveness of photodegradation of the TiO2/K2SO4 nanoparticles improved from 77.87% to 85.22% in the presence of MoS2 for BG and 78.14% to 86.8% for RB. The produced TiO2/K2SO4@MoS2 NCs photocatalysts were shown to be stable during BG and RB photodegradation in reusable studies, suggesting potential uses for environmental remediation. The antibacterial activity of the TiO2/K2SO4@MoS2 nanocomposite was evaluated through the inactivation of Gram-positive (Staphylococcus aureus) and Gram-negative (Escherichia coli) bacteria.
本研究报道了TiO2/K2SO4@MoS2纳米复合材料的合成方法、抗菌和光催化活性。与先前报道的主要专注于单一功能染料降解的二氧化钛-二硫化钼光催化剂不同,本研究强调多功能纳米复合材料设计。研究了紫外光对废水中有机污染物的光催化降解作用。采用共沉淀法合成了二氧化钛掺杂硫酸钾和二硫化钼纳米复合材料(TiO2/K2SO4@MoS2 NCs),并将其应用于紫外光下对亮绿(BG)和红孟加拉(RB)染料的光降解。采用SEM-EDS、XRD、FTIR和uv -可见光谱技术对合成的TiO2/K2SO4@MoS2纳米复合材料进行了全面表征,证实了TiO2/K2SO4成功插入到MoS2纳米片中。与之前报道的TiO2/K2SO4基纳米复合材料相比,MoS2的加入改善了界面电荷转移并抑制了电子-空穴复合。结果表明,与纯TiO2/K2SO4相比,TiO2/K2SO4@MoS2杂化纳米复合材料在紫外光照射下60 min内对水中BG和RB染料的氧化活性增强。结果表明,在MoS2存在下,BG的光降解率从77.87%提高到85.22%,RB的光降解率从78.14%提高到86.8%。在可重复使用的研究中,制备的TiO2/K2SO4@MoS2 NCs光催化剂在BG和RB光降解过程中表现出稳定的性能,表明其在环境修复方面具有潜在的应用前景。通过对革兰氏阳性菌(金黄色葡萄球菌)和革兰氏阴性菌(大肠杆菌)的灭活,评价TiO2/K2SO4@MoS2纳米复合材料的抑菌活性。
{"title":"Multifunctional TiO2/K2SO4@MoS2 nanocomposite with superior photocatalytic degradation of Brilliant Green and Rose Bengal dyes, along with potent antibacterial activity","authors":"Krishna Raj Chinnadurai ,&nbsp;Siranjeevi Ravichandran ,&nbsp;Susmitha Ravichandran ,&nbsp;Sameera Shabnum Saleem","doi":"10.1016/j.inoche.2026.116220","DOIUrl":"10.1016/j.inoche.2026.116220","url":null,"abstract":"<div><div>The present study reported the synthesis approach, antibacterial, and photocatalytic activity of TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> nanocomposites. In contrast to previously reported TiO<sub>2</sub>-MoS<sub>2</sub> based photocatalysts that primarily focus on single-function dye degradation, the present work emphasizes a multifunctional nanocomposite design. This study investigates the use of UV light to enhance the degradation of organic contaminants in wastewater by photocatalysis. Titanium dioxide-doped potassium sulphate and molybdenum disulfide nanocomposites (TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> NCs) synthesized by the co-precipitation method were applied to the photodegradation of Brilliant Green (BG) and Rose Bengal (RB) dyes under UV light. The synthesized TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> novel nanocomposites underwent comprehensive characterization using SEM-EDS, XRD, FTIR, and UV–visible spectroscopy techniques, confirming the successful insertion of TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> into the MoS<sub>2</sub> nanosheets. Compared to previously reported TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> based nanocomposite, the incorporation of MoS<sub>2</sub> provides improved interfacial charge transfer and suppresses electron-hole recombination. The results showed that TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> hybrid nanocomposites exhibited enhanced activity in oxidizing BG and RB dyes in water under UV light irradiation compared to pure TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> within 60 min. The results indicate that the effectiveness of photodegradation of the TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub> nanoparticles improved from 77.87% to 85.22% in the presence of MoS<sub>2</sub> for BG and 78.14% to 86.8% for RB. The produced TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> NCs photocatalysts were shown to be stable during BG and RB photodegradation in reusable studies, suggesting potential uses for environmental remediation. The antibacterial activity of the TiO<sub>2</sub>/K<sub>2</sub>SO<sub>4</sub>@MoS<sub>2</sub> nanocomposite was evaluated through the inactivation of Gram-positive (<em>Staphylococcus aureus</em>) and Gram-negative (<em>Escherichia coli</em>) bacteria.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116220"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A parametric study for optimal electrochemical synthesis of ZIF-8 and MIL-53(Al) for CO2 capture: a comparative analysis 电化学合成ZIF-8和MIL-53(Al)捕集CO2的最佳参数研究:比较分析
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-02-02 DOI: 10.1016/j.inoche.2026.116226
Jafar Shadmehr, Ali Asghar. Ghoreyshi, Mohsen Ghorbani
A comprehensive parametric investigation to pinpoint the key factors affecting the electrochemical synthesis of MOFs is lacking in the literature. Two particular MOFs, ZIF-8 and MIL-53 (Al), were synthetized through a distinctive electrochemical method. Unlike the ZIF-8, the electrochemical method for synthesizing MIL-53(Al) encounters a significant obstacle. In this case, the issue was tackled using a self-synthesized ionic liquid (1-Dodecyl-3-methylimidazolium chloride) as the electrolyte, resulting in the creation of a MIL-53(Al) structure similar to the one obtained through solvothermal synthesis. A comprehensive parametric analysis was performed, taking into account the influence of different factors such as solvent composition, reaction time, cell voltage, electrode surface area/cell volume ratio, and cell temperature on both cell efficiency and CO2 adsorption capability. Different techniques were used for characterizing both samples to determine their physicochemical properties including X-ray diffraction, BET analysis, FTIR, TGA, and SEM. The parametric analysis demonstrated that the key synthesis parameters influencing CO2 adsorption capacity were cell voltage, cell temperature, and the electrode surface area/cell volume ratio. The findings also showed that the highest CO2 absorption of 6.07 mmol/g was obtained from the ZIF-8 produced under the optimized conditions, while the maximum quantity of CO2 captured by the optimized MIL-53(Al) sample was 3.89 mmol/g in the identical electrochemical cell. Besides, ZIF-8 demonstrated significant advantages compared to MIL-53 (Al) in CO2 absorption owing to its highly microporous architecture and crystallinity. The results of the present research gives an insight into optimizing electrochemical synthesis conditions of MOFs as a reliable and facile technique.
文献中缺乏全面的参数研究来确定影响mof电化学合成的关键因素。采用独特的电化学方法合成了ZIF-8和MIL-53 (Al)两种特殊的mof。与ZIF-8不同,电化学合成MIL-53(Al)的方法遇到了很大的障碍。在这种情况下,使用自合成的离子液体(1-十二烷基-3-甲基咪唑氯)作为电解质来解决这个问题,从而产生了MIL-53(Al)结构,类似于通过溶剂热合成获得的结构。考虑溶剂组成、反应时间、电池电压、电极表面积/电池体积比、电池温度等因素对电池效率和CO2吸附能力的影响,进行了全面的参数分析。使用不同的技术来表征两种样品,以确定其物理化学性质,包括x射线衍射,BET分析,FTIR, TGA和SEM。参数分析表明,影响CO2吸附能力的关键合成参数是电池电压、电池温度和电极表面积/电池体积比。在相同的电化学电池中,优化后的MIL-53(Al)样品的CO2吸收量最高,为6.07 mmol/g,而优化后的MIL-53(Al)样品的CO2吸收量最大,为3.89 mmol/g。此外,由于ZIF-8的高微孔结构和结晶度,与MIL-53 (Al)相比,ZIF-8在CO2吸收方面具有显著优势。本研究的结果为优化mof的电化学合成条件提供了一种可靠而简便的技术。
{"title":"A parametric study for optimal electrochemical synthesis of ZIF-8 and MIL-53(Al) for CO2 capture: a comparative analysis","authors":"Jafar Shadmehr,&nbsp;Ali Asghar. Ghoreyshi,&nbsp;Mohsen Ghorbani","doi":"10.1016/j.inoche.2026.116226","DOIUrl":"10.1016/j.inoche.2026.116226","url":null,"abstract":"<div><div>A comprehensive parametric investigation to pinpoint the key factors affecting the electrochemical synthesis of MOFs is lacking in the literature. Two particular MOFs, ZIF-8 and MIL-53 (Al), were synthetized through a distinctive electrochemical method. Unlike the ZIF-8, the electrochemical method for synthesizing MIL-53(Al) encounters a significant obstacle. In this case, the issue was tackled using a self-synthesized ionic liquid (1-Dodecyl-3-methylimidazolium chloride) as the electrolyte, resulting in the creation of a MIL-53(Al) structure similar to the one obtained through solvothermal synthesis. A comprehensive parametric analysis was performed, taking into account the influence of different factors such as solvent composition, reaction time, cell voltage, electrode surface area/cell volume ratio, and cell temperature on both cell efficiency and CO<sub>2</sub> adsorption capability. Different techniques were used for characterizing both samples to determine their physicochemical properties including X-ray diffraction, BET analysis, FTIR, TGA, and SEM. The parametric analysis demonstrated that the key synthesis parameters influencing CO<sub>2</sub> adsorption capacity were cell voltage, cell temperature, and the electrode surface area/cell volume ratio. The findings also showed that the highest CO<sub>2</sub> absorption of 6.07 mmol/g was obtained from the ZIF-8 produced under the optimized conditions, while the maximum quantity of CO<sub>2</sub> captured by the optimized MIL-53(Al) sample was 3.89 mmol/g in the identical electrochemical cell. Besides, ZIF-8 demonstrated significant advantages compared to MIL-53 (Al) in CO<sub>2</sub> absorption owing to its highly microporous architecture and crystallinity. The results of the present research gives an insight into optimizing electrochemical synthesis conditions of MOFs as a reliable and facile technique.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116226"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Development of boehmite/silica membrane via a lactic acid-assisted sol-gel method for highly effective removal of low concentration Cr(VI) wastewater 乳酸辅助溶胶-凝胶法制备薄水铝石/二氧化硅膜高效去除低浓度Cr(VI)废水
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-02-09 DOI: 10.1016/j.inoche.2026.116281
Juanjuan Peng, Qiyan Wang, Xinran Cui, Chengxiong Dang, Weiquan Cai
The boehmite/silica composite membrane (HBSPM) with deep removal capability for low concentration Cr(VI) wastewater was successfully prepared via an environment-friendly lactic acid assisted sol-gel method with following hydrothermal treatment using commercial boehmite and silica (SiO2) powders as aluminum and silicon sources, respectively. The as-prepared HBSPM shows significantly improved stability and the best static adsorption performance in comparison with the boehmite membrane (BPM), SiO2 membrane (SPM) and the composite membrane (BSPM) without hydrothermal treatment. The adsorption of HBSPM and BSPM conformed to the pseudo-second-order kinetic model and the Sips isothermal adsorption model with the maximum adsorption capacities of 77.60 mg/g and 68.64 mg/g, respectively. Especially, when the initial concentration of Cr(VI) is below 30 mg/L, the HBSPM can effectively reduce its concentration to less than 0.5 mg/L which fits the discharge standard of the Chinese government for the industrial wastewater; when its initial concentration is 10 mg/L, the HBSPM can further reduce its concentration to less than 0.05 mg/L which satisfies the drinking water standard. The adsorption process was mainly driven by the electrostatic interaction, complexation and partial ion exchange following the chemical reduction of Cr(VI) to Cr(III). The excellent adsorption performance of HBSPM is attributed to the hydrothermal treatment resulting in an increase of the number of oxygen-containing functional groups on the membrane surface, which further enhance their bonding effect with Cr(VI). Our work provides an alternative membrane for highly effective treatment of low-concentration Cr(VI)-containing wastewater.
以工业薄水铝石和二氧化硅(SiO2)粉末为铝源和硅源,采用环境友好型溶胶-凝胶法制备了具有深度去除低浓度Cr(VI)废水的薄水铝石/二氧化硅复合膜(HBSPM)。与未经水热处理的薄水铝石膜(BPM)、二氧化硅膜(SPM)和复合膜(BSPM)相比,制备的HBSPM的稳定性显著提高,静态吸附性能最佳。HBSPM和BSPM的吸附符合拟二级动力学模型和Sips等温吸附模型,最大吸附量分别为77.60 mg/g和68.64 mg/g。特别是当Cr(VI)初始浓度低于30 mg/L时,HBSPM可以有效地将其浓度降至0.5 mg/L以下,符合中国政府对工业废水的排放标准;当初始浓度为10 mg/L时,HBSPM可进一步将其浓度降至0.05 mg/L以下,满足饮用水标准。吸附过程主要由静电相互作用、络合作用和Cr(VI)化学还原成Cr(III)后的部分离子交换驱动。HBSPM优异的吸附性能是由于水热处理使膜表面的含氧官能团数量增加,进一步增强了其与Cr(VI)的键合作用。我们的工作为高效处理低浓度含铬废水提供了一种替代膜。
{"title":"Development of boehmite/silica membrane via a lactic acid-assisted sol-gel method for highly effective removal of low concentration Cr(VI) wastewater","authors":"Juanjuan Peng,&nbsp;Qiyan Wang,&nbsp;Xinran Cui,&nbsp;Chengxiong Dang,&nbsp;Weiquan Cai","doi":"10.1016/j.inoche.2026.116281","DOIUrl":"10.1016/j.inoche.2026.116281","url":null,"abstract":"<div><div>The boehmite/silica composite membrane (HBSPM) with deep removal capability for low concentration Cr(VI) wastewater was successfully prepared via an environment-friendly lactic acid assisted sol-gel method with following hydrothermal treatment using commercial boehmite and silica (SiO<sub>2</sub>) powders as aluminum and silicon sources, respectively. The as-prepared HBSPM shows significantly improved stability and the best static adsorption performance in comparison with the boehmite membrane (BPM), SiO<sub>2</sub> membrane (SPM) and the composite membrane (BSPM) without hydrothermal treatment. The adsorption of HBSPM and BSPM conformed to the pseudo-second-order kinetic model and the Sips isothermal adsorption model with the maximum adsorption capacities of 77.60 mg/g and 68.64 mg/g, respectively. Especially, when the initial concentration of Cr(VI) is below 30 mg/L, the HBSPM can effectively reduce its concentration to less than 0.5 mg/L which fits the discharge standard of the Chinese government for the industrial wastewater; when its initial concentration is 10 mg/L, the HBSPM can further reduce its concentration to less than 0.05 mg/L which satisfies the drinking water standard. The adsorption process was mainly driven by the electrostatic interaction, complexation and partial ion exchange following the chemical reduction of Cr(VI) to Cr(III). The excellent adsorption performance of HBSPM is attributed to the hydrothermal treatment resulting in an increase of the number of oxygen-containing functional groups on the membrane surface, which further enhance their bonding effect with Cr(VI). Our work provides an alternative membrane for highly effective treatment of low-concentration Cr(VI)-containing wastewater.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116281"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170235","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Promoted permanganate activation by nano TiO2 as Lewis acid catalysts for efficient degradation of levofloxacin 纳米TiO2促进高锰酸盐活化,作为Lewis酸催化剂高效降解左氧氟沙星
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-02-03 DOI: 10.1016/j.inoche.2026.116302
Zhongduo Xiong , Xiaochuan Zhou , Hang Zhao , Shuaiqi Zhao , Xiuying Liu , Xiaoxia Li , Aihua Xu , Xinchao Ruan
The heterogeneous activation of permanganate (KMnO4) with redox or non-redox metal oxides to degrade toxic pollutants in aqueous solution has garnered increased attention recently. However, how Lewis acid (LA) site in metal oxides interacts with KMnO4 to enhance its reactivity remains unclear. To clarify the mechanism of KMnO4 activation with LA catalysts, the degradation of levofloxacin (LEVO) by KMnO4 with titanium dioxide (TiO2), a water-resistant solid acid catalyst, was investigated in this study. An improved degradation efficiency, a low activation energy of 25.2 kJ/Mol, and a high KMnO4 utilization of 61.6% were observed with KMnO4/TiO2 system, compared with KMnO4 alone. The presence of strong Lewis acidity on TiO2 surface was confirmed by various technologies, and the density functional theory calculation and electrochemical experiments further revealed that the coordinatively unsaturated Ti4+ species interacted with KMnO4 as LA sites to stretch its MnO bonds and increase its oxidation potential, thereby achieving a high electron transfer reactivity. The system also showed a high adaptability under various conditions including recycling experiments, treatment of several pollutants and various solution pH, and a decreased toxicity of the products. These findings provided an improved understanding of LA sites in KMnO4 activation and its application to degrade pollutants
高锰酸盐(KMnO4)与氧化还原或非氧化还原金属氧化物的非均相活化降解水溶液中的有毒污染物近年来受到越来越多的关注。然而,金属氧化物中的路易斯酸(LA)位点如何与KMnO4相互作用以增强其反应活性尚不清楚。为了阐明LA催化剂活化KMnO4的机理,研究了KMnO4与耐水固体酸催化剂二氧化钛(TiO2)对左氧氟沙星(LEVO)的降解。与单独使用KMnO4相比,KMnO4/TiO2体系的降解效率更高,活化能低至25.2 kJ/Mol, KMnO4利用率高达61.6%。通过各种技术证实TiO2表面存在强Lewis酸,密度泛函理论计算和电化学实验进一步揭示了配位不饱和Ti4+与KMnO4作为LA位点相互作用,拉伸其MnO键,提高其氧化电位,从而获得较高的电子转移反应活性。该系统在各种条件下也表现出很高的适应性,包括回收实验,处理多种污染物和不同的溶液pH,并降低了产品的毒性。这些发现为KMnO4活化中的LA位点及其降解污染物的应用提供了更好的理解
{"title":"Promoted permanganate activation by nano TiO2 as Lewis acid catalysts for efficient degradation of levofloxacin","authors":"Zhongduo Xiong ,&nbsp;Xiaochuan Zhou ,&nbsp;Hang Zhao ,&nbsp;Shuaiqi Zhao ,&nbsp;Xiuying Liu ,&nbsp;Xiaoxia Li ,&nbsp;Aihua Xu ,&nbsp;Xinchao Ruan","doi":"10.1016/j.inoche.2026.116302","DOIUrl":"10.1016/j.inoche.2026.116302","url":null,"abstract":"<div><div>The heterogeneous activation of permanganate (KMnO<sub>4</sub>) with redox or non-redox metal oxides to degrade toxic pollutants in aqueous solution has garnered increased attention recently. However, how Lewis acid (LA) site in metal oxides interacts with KMnO<sub>4</sub> to enhance its reactivity remains unclear. To clarify the mechanism of KMnO<sub>4</sub> activation with LA catalysts, the degradation of levofloxacin (LEVO) by KMnO<sub>4</sub> with titanium dioxide (TiO<sub>2</sub>), a water-resistant solid acid catalyst, was investigated in this study. An improved degradation efficiency, a low activation energy of 25.2 kJ/Mol, and a high KMnO<sub>4</sub> utilization of 61.6% were observed with KMnO<sub>4</sub>/TiO<sub>2</sub> system, compared with KMnO<sub>4</sub> alone. The presence of strong Lewis acidity on TiO<sub>2</sub> surface was confirmed by various technologies, and the density functional theory calculation and electrochemical experiments further revealed that the coordinatively unsaturated Ti<sup>4+</sup> species interacted with KMnO<sub>4</sub> as LA sites to stretch its Mn<img>O bonds and increase its oxidation potential, thereby achieving a high electron transfer reactivity. The system also showed a high adaptability under various conditions including recycling experiments, treatment of several pollutants and various solution pH, and a decreased toxicity of the products. These findings provided an improved understanding of LA sites in KMnO<sub>4</sub> activation and its application to degrade pollutants</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116302"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Reduced graphene oxide (r-GO) anchored bismuth oxide (Bi2O3) nanocomposite material: Fabrication, characterization, photocatalytic degradation of rhodamine B (RB) dye and phytotoxicity study 还原氧化石墨烯(r-GO)锚定氧化铋(Bi2O3)纳米复合材料:制备、表征、光催化降解罗丹明B (RB)染料及植物毒性研究
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-04-01 Epub Date: 2026-02-02 DOI: 10.1016/j.inoche.2026.116283
Rajesh Chandu Waghmare , Raju Shivaji Ingale , Pratibha Gopalrao Raundal , Purvesh Vijay Sonawane , Anjali Deepak More , Prashant Bhimrao Koli
The present research work deals with the fabrication of bismuth oxide (Bi2O3) nanomaterials by sol gel citrate method and fabrication of reduced graphene oxide (r-GO) by Hammers method using waste dry electric batteries. The nanocomposite of Bi2O3 and graphene oxide was prepared cost-effective heat and beat method (Ball Grinding method) followed by ultrasonication and calcination. The prepared materials Bi2O3, r-GO and r-GO Bi2O3 were Characterized by X-ray diffraction (XRD) technique to investigate the structural parameters. The average crystallite size was calculated from Debye Scherrer formula, the estimated size for Bi2O3, r-GO and r-GO Bi2O3 was 18.20 nm, 14.30 nm and 21.56 nm respectively. The scanning electron microscopy (SEM) was utilized for morphological parameters of the prepared materials like surface, texture, porosity and dimensions of nanomaterials. The energy dispersive spectroscopy (EDS) technique was utilized to investigate the elemental composition. The lattice parameters and polycrystallinity was confirmed from transmission electron microscopy (TEM) analysis. While the band gap of the fabricated materials was confirmed from ultraviolet diffuse reflectance spectroscopy (UV-DRS). Additionally, the materials were further characterized by photoluminescence (PL) spectroscopy for optical properties such as band gap investigations. The surface area of both the catalyst was investigated by Brunauer-Emmett-Teller (BET) adsorption isotherm. The fabricated materials Bi2O3 and r-GO Bi2O3 nanocomposite were investigated for the photocatalytic dye degradation study of Rhodamine B (RB) dye and phytotoxicity study. The various parameters of the dye degradation such as catalyst dose, effect of pH, effect of dye concentration, radical scavenging study, contact time and comparative study was investigated for RB dye. The r-GO- Bi2O3 nanocomposite has a superior rate of dye degradation, and it degrades the 98.23% of RB dye in 70  min.
本文研究了溶胶凝胶柠檬酸法制备氧化铋(Bi2O3)纳米材料和用废干电池制备还原性氧化石墨烯(r-GO)的方法。采用高温焙烧法(球磨法)制备了Bi2O3与氧化石墨烯的纳米复合材料。采用x射线衍射(XRD)技术对制备的Bi2O3、r-GO和r-GO Bi2O3进行表征,研究其结构参数。根据Debye - Scherrer公式计算,Bi2O3、r-GO和r-GO Bi2O3的平均晶粒尺寸分别为18.20 nm、14.30 nm和21.56 nm。利用扫描电子显微镜(SEM)对制备的纳米材料的表面、织构、孔隙率和尺寸等形貌参数进行了表征。利用能谱(EDS)技术对其元素组成进行了分析。通过透射电镜(TEM)分析证实了其晶格参数和多晶性。通过紫外漫反射光谱(UV-DRS)确定了材料的带隙。此外,通过光致发光(PL)光谱进一步表征了材料的光学性质,如带隙研究。采用bruauer - emmet - teller (BET)吸附等温线研究了两种催化剂的比表面积。研究了制备的Bi2O3和r-GO纳米复合材料对罗丹明B (RB)染料的光催化降解和植物毒性研究。考察了催化剂用量、pH值、染料浓度、自由基清除研究、接触时间和对比研究等对RB染料降解的影响。r-GO- Bi2O3纳米复合材料具有优异的染料降解率,在70 min内可降解98.23%的RB染料。
{"title":"Reduced graphene oxide (r-GO) anchored bismuth oxide (Bi2O3) nanocomposite material: Fabrication, characterization, photocatalytic degradation of rhodamine B (RB) dye and phytotoxicity study","authors":"Rajesh Chandu Waghmare ,&nbsp;Raju Shivaji Ingale ,&nbsp;Pratibha Gopalrao Raundal ,&nbsp;Purvesh Vijay Sonawane ,&nbsp;Anjali Deepak More ,&nbsp;Prashant Bhimrao Koli","doi":"10.1016/j.inoche.2026.116283","DOIUrl":"10.1016/j.inoche.2026.116283","url":null,"abstract":"<div><div>The present research work deals with the fabrication of bismuth oxide (Bi<sub>2</sub>O<sub>3</sub>) nanomaterials by sol gel citrate method and fabrication of reduced graphene oxide (r-GO) by Hammers method using waste dry electric batteries. The nanocomposite of Bi<sub>2</sub>O<sub>3</sub> and graphene oxide was prepared cost-effective heat and beat method (Ball Grinding method) followed by ultrasonication and calcination. The prepared materials Bi<sub>2</sub>O<sub>3,</sub> r-GO and r-GO Bi<sub>2</sub>O<sub>3</sub> were Characterized by X-ray diffraction (XRD) technique to investigate the structural parameters. The average crystallite size was calculated from Debye Scherrer formula, the estimated size for Bi<sub>2</sub>O<sub>3,</sub> r-GO and r-GO Bi<sub>2</sub>O<sub>3</sub> was 18.20 nm, 14.30 nm and 21.56 nm respectively. The scanning electron microscopy (SEM) was utilized for morphological parameters of the prepared materials like surface, texture, porosity and dimensions of nanomaterials. The energy dispersive spectroscopy (EDS) technique was utilized to investigate the elemental composition. The lattice parameters and polycrystallinity was confirmed from transmission electron microscopy (TEM) analysis. While the band gap of the fabricated materials was confirmed from ultraviolet diffuse reflectance spectroscopy (UV-DRS). Additionally, the materials were further characterized by photoluminescence (PL) spectroscopy for optical properties such as band gap investigations. The surface area of both the catalyst was investigated by Brunauer-Emmett-Teller (BET) adsorption isotherm. The fabricated materials Bi<sub>2</sub>O<sub>3</sub> and r-GO Bi<sub>2</sub>O<sub>3</sub> nanocomposite were investigated for the photocatalytic dye degradation study of Rhodamine B (RB) dye and phytotoxicity study. The various parameters of the dye degradation such as catalyst dose, effect of pH, effect of dye concentration, radical scavenging study, contact time and comparative study was investigated for RB dye. The r-GO- Bi<sub>2</sub>O<sub>3</sub> nanocomposite has a superior rate of dye degradation, and it degrades the 98.23% of RB dye in 70  min.</div></div>","PeriodicalId":13609,"journal":{"name":"Inorganic Chemistry Communications","volume":"186 ","pages":"Article 116283"},"PeriodicalIF":5.4,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
期刊
Inorganic Chemistry Communications
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1