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Main group element compounds in materials and catalysis
IF 3.5 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-24 DOI: 10.1039/D5DT90053K
Selvarajan Nagendran, Ramaswamy Murugavel and Eric Rivard

A graphical abstract is available for this content

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引用次数: 0
Straightforward encapsulation of ultrastable CsPbBr3 PQDs and rare-earth emitters in zeolite for ratiometric temperature sensing and wet fingerprint recognition
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/d5dt00368g
Zhou Yuan, Yuchi Zhang, Le Han, Yan Xu
All-inorganic metal halide perovskite quantum dots (PQDs) hybrids with high stability, multi-model emission and responsive luminescence are of great importance for optical applications. Herein, a dual-emitting CsPbBr3/Si-1:Eu3+ composite was successfully prepared by simultaneous encapsulation of CsPbBr3 PQDs and EuBr3 through a one-step thermal diffusion method. The partial destruction of five-membered rings in Silicalite-1 (Si-1) zeolite resulted from the PbBr2 etching effect at high temperatures enhances the bonding formation between Eu3+ and Si-OH, leading to the grafting of Eu3+ onto Si-1 zeolite framework. The strongly confined CsPbBr3 PQDs in CsPbBr3/Si-1:Eu3+ exhibit ultrastable green-emission over 30 days of soaking in water. Particularly, the CsPbBr3 PQDs and red-light Eu3+ emission center display distinct thermal quenching behaviors at elevated temperatures. So the CsPbBr3/Si-1:Eu3+ composite can serve as an effective ratiometric thermometer using the fluorescence intensity ratio (FIR) technique, showing a high sensitivity of 3.4 % ℃-1 at 54 ℃ and a temperature resolution of less than 0.2 ℃ in the range of 20-100 ℃. The water-stable CsPbBr3/Si-1:Eu3+ composite is also suitable for wet fingerprint recognition. This work introduces a straightforward method for preparing dual-emissive CsPbBr3/Si-1: Eu3+ composite for multimodal applications.
全无机金属卤化物包光体量子点(PQDs)具有高稳定性、多模式发射和响应发光等特性,在光学应用中具有重要意义。本文通过一步热扩散法同时封装 CsPbBr3 PQDs 和 EuBr3,成功制备了 CsPbBr3/Si-1:Eu3+ 双发射复合材料。在高温下,PbBr2 的蚀刻作用导致硅胶-1(Si-1)沸石中的五元环部分破坏,增强了 Eu3+ 与 Si-OH 之间的成键作用,从而使 Eu3+ 接枝到 Si-1 沸石框架上。在 CsPbBr3/Si-1:Eu3+ 中强致密的 CsPbBr3 PQDs 在水中浸泡 30 天后显示出超稳定的绿色发射。特别是在高温条件下,CsPbBr3 PQDs 和红光 Eu3+ 发射中心显示出不同的热淬行为。因此,CsPbBr3/Si-1:Eu3+ 复合材料可以利用荧光强度比(FIR)技术作为一种有效的比率温度计,在 54 ℃ 时的灵敏度高达 3.4 % ℃-1,在 20-100 ℃ 范围内的温度分辨率小于 0.2 ℃。水稳定性 CsPbBr3/Si-1:Eu3+ 复合材料也适用于湿指纹识别。这项工作介绍了一种制备双发射 CsPbBr3/Si-1: Eu3+ 复合材料的简单方法,可用于多模态应用。
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引用次数: 0
Controllable distribution of surface modified MIL-53 with ruthenium nanoparticles on nickel foam and its high efficiency electrocatalytic hydrogen evolution
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/d5dt00287g
Yuhang Wang, Gui-Xin Yang, Chao Wang, Hongtao Liu, Xinming Wang, Haijun Pang
In the development of electrocatalysts that are cost-effective and highly functional, central to this endeavor is the synthesis of materials and the meticulous delineation of their morphology. This article introduces a solvent-thermal method for constructing ruthenium-based electrocatalysts (Ru/MIL-53@NF), distinguished by the in situ generation of ruthenium nanoparticles (NPs) on MIL-53 with notable dispersion. The procedure requires precise control over ruthenium integration, resulting in electrocatalysts with exceptional dispersion properties. Furthermore, the optimally engineered Ru/MIL-53@NF exhibited outstanding electrocatalytic hydrogen evolution performance, registering an overpotential of merely 17 mV at 10 mA·cm-2 and a Tafel slope of 53.7 mV·dec-1, thus outstripping the standard 20 wt% Pt/C benchmark. This research highlights the careful calibration of synthetic parameters to forge ruthenium-based electrocatalysts with both high efficacy and stability.
在开发具有成本效益和高功能性的电催化剂的过程中,材料的合成及其形态的精细描绘是核心所在。本文介绍了一种构建钌基电催化剂(Ru/MIL-53@NF)的溶剂-热方法,其特点是在 MIL-53 上原位生成钌纳米粒子(NPs),且分散性极佳。该过程需要精确控制钌的整合,从而产生具有特殊分散特性的电催化剂。此外,经过优化设计的 Ru/MIL-53@NF 还表现出卓越的电催化氢气进化性能,在 10 mA-cm-2 条件下,过电位仅为 17 mV,Tafel 斜坡为 53.7 mV-dec-1,因此超过了标准的 20 wt% Pt/C 基准。这项研究突出表明,要锻造出高效、稳定的钌基电催化剂,必须仔细校准合成参数。
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引用次数: 0
Pt/SnO2/Sb2O4 nanoparticle catalyst embedded in Multi-walled carbon nanotubes as active material for electrochemical hydrogen storage inquiries
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/d5dt00336a
Raziyeh Akbarzadeh
Hydrogen storage and safe transport are the most important issues for hydrogen energy applications. Hydrogen has the necessary potential to provide clean fuel for heating and transportation because its only product of this combustion is pure water. Hydrogen is identified as one of the most renewable energy sources by supplying an efficient storage method. The electrochemical method with high energy conversion efficiency, through absorbtion/desorbtion mechanisms, is considered an appropriate strategy to achieve hydrogen storage. Hence, we propose a hydrogen energy storage system based on efficient electrode materials and electrochemical method. Due to obtaining high efficiency hydrogen storage, the Pt/SnO2/Sb2O4 nanoparticle catalyst embedded in multi-walled carbon nanotubes (MWCNTs) is synthesized via a facile polyol method, as active material. The sample structure was characterized by different techniques to determine its crystal structure, surface morphology, elements and porosity. Further, the electrochemical hydrogen storage abilities and the specific capacitance values of the as-prepared nanocomposite were assessed in alkaline media by chronopotentiometry analysis. The XRD studies exhibit that the average crystallite size of the Pt/SnO2/Sb2O4 nanoparticle catalyst is estimated to be around 7.5 nm. Also, the BET measurement shows a specific surface area, pore volume and pore diameter of 137.89 m2g-1, 0.3379 cm3g-1 and 9.8 nm for Pt/SnO2/Sb2O4/MWCNTs nanocomposite, respectively. The electrochemical consequences indicate that the incorporation of Pt/SnO2/Sb2O4 nanoparticle catalyst with MWCNTs showed excellent cycle stability and a high degree of electrochemical reversibility as an optimistic active candidate for use in electrochemical hydrogen storage. The maximum discharge capacity of Pt/ SnO2/Sb2O4 /MWCNTs nanocomposite was obtained to be 3480 mAhg-1 after 12 cycles. The higher and excellent discharge capacity of nanocomposite can partially be ascribed to its higher porosity, large specific surface area and the small size of Pt/SnO2/Sb2O4 nanoparticle catalyst.
氢的储存和安全运输是氢能应用中最重要的问题。氢具有为供暖和运输提供清洁燃料的必要潜力,因为氢燃烧的唯一产物是纯水。通过提供高效的储存方法,氢被认为是最可再生的能源之一。通过吸收/解吸机制实现高能量转换效率的电化学方法被认为是实现氢储存的适当策略。因此,我们提出了一种基于高效电极材料和电化学方法的氢储能系统。为了获得高效储氢,我们通过简便的多元醇法合成了嵌入多壁碳纳米管(MWCNTs)的 Pt/SnO2/Sb2O4 纳米粒子催化剂作为活性材料。通过不同的技术对样品结构进行了表征,以确定其晶体结构、表面形貌、元素和孔隙率。此外,还通过计时电位分析法评估了制备的纳米复合材料在碱性介质中的电化学储氢能力和比电容值。XRD 研究表明,Pt/SnO2/Sb2O4 纳米粒子催化剂的平均结晶尺寸约为 7.5 纳米。此外,BET 测量显示,Pt/SnO2/Sb2O4/MWCNTs 纳米复合材料的比表面积、孔体积和孔直径分别为 137.89 m2g-1、0.3379 cm3g-1 和 9.8 nm。电化学结果表明,Pt/SnO2/Sb2O4 纳米颗粒催化剂与 MWCNTs 的结合显示出优异的循环稳定性和高度的电化学可逆性,是电化学储氢的理想活性候选材料。经过 12 次循环后,Pt/ SnO2/Sb2O4 /MWCNTs 纳米复合材料的最大放电容量达到 3480 mAhg-1。纳米复合材料较高且优异的放电容量部分归因于其较高的孔隙率、较大的比表面积和较小尺寸的 Pt/SnO2/Sb2O4 纳米颗粒催化剂。
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引用次数: 0
Metal Ion-Modulated Synthesis of γ-MnO2 Nanosheet for Catalytic Oxidative Degradation of Clomiprazole
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/d5dt00058k
Jinlian Zhang, Yu Xie, Xinli Zhang, Yuanhong Zhong, Ming Sun, Lin Yu
Two-dimensional non-layered oxide nanosheets exhibit exceptional catalytic properties, offering significant potential for environmental applications. In this study, we report the development of a novel Fe-doped γ-MnO₂ material with a hierarchical microsphere morphology, achieved through a metal ion regulation strategy. Unlike conventional sea urchin-like γ-MnO₂, Fe doping induced a transformation to a two-dimensional non-layered structure composed of nanosheets, significantly increasing the specific surface area and exposing more active sites. The Fe-doped γ-MnO₂ catalysts were evaluated for the degradation of chlorimiprazole (CBZ), a persistent pollutant, using a sulfate radical-based advanced oxidation process. Among the synthesized catalysts, NF-0.25Fe exhibited superior performance, achieving 93% CBZ removal within 16 min under near-neutral conditions. This exceptional activity was attributed to the optimized morphology, higher low-valence Mn content, and enhanced surface-active oxygen species. Systematic investigations revealed that the catalyst dosage, PMS concentration, and pH critically influenced the catalytic efficiency. This work demonstrates the potential of metal ion modulation in tailoring the structural and catalytic properties of transition metal oxides. The insights gained here provide a robust foundation for designing advanced nanomaterials for environmental remediation and other catalytic applications.
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引用次数: 0
Dual Emissive Ytterbium (III) Complexes with π-Conjugated BODIPY-Bipyridine Ligands
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/d5dt00354g
Priyangika P. Senevirathne, Hongshan He, Kraig Wheeler, Radu F Semeniuc
Four BODIPY-functionalized bipyridine ligands (B1, B2, B3 and B4) were synthesized for sensitizing the near-infrared emission of Yb (III) ions. In these ligands, a BODIPY moiety was conjugated to 2,2′-bipyridine through an acetylene spacer at its C2 position, whereas its C6 position was substituted by H (B1), iodine (B2), 4-carboxylphenylacetylene (B3) or 4-thiocyanophenylacetylene (B4). The ligands exhibit strong absorption in the visible region and readily form stable complexes with ytterbium (III) trishexafluoroacetylacetonate (hfac-) hydrate in dichloromethane. Single-crystal X-ray diffraction analysis for Yb-B2 showed that the BODIPY unit almost falls into the bipyridine plane with Yb (III) being coordinated by six O from hfac- and two N atoms from bipyridine. All complexes exhibit strong absorption between 530 and 570 nm and can sensitize the ytterbium (III) for its emission at 980 nm under the UV-VIS light illumination. Interestingly, the visible emission from the complex increased when excited at 375 nm, making the complexes dual emissive, which is due to the increased absorption of the complex at 375 nm and inefficient energy transfer from BODIPY moiety to the Yb(III) ion.
合成了四种 BODIPY 功能化双吡啶配体(B1、B2、B3 和 B4),用于敏化镱(III)离子的近红外发射。在这些配体中,BODIPY 分子通过其 C2 位上的乙炔间隔与 2,2′-联吡啶共轭,而其 C6 位则被 H(B1)、碘(B2)、4-羧基苯乙炔(B3)或 4-硫氰基苯乙炔(B4)取代。这些配体在可见光区域表现出强烈的吸收,并很容易在二氯甲烷中与三六氟乙酰丙酮酸镱(III)水合物(hfac-)形成稳定的配合物。Yb-B2 的单晶 X 射线衍射分析表明,BODIPY 单元几乎落在联吡啶平面上,镱(III)与 hfac- 中的六个 O 原子和联吡啶中的两个 N 原子配位。所有配合物在 530 和 570 纳米之间都有很强的吸收,在紫外-可见光的照射下,镱(III)能敏化镱(III),使其在 980 纳米处发射。有趣的是,当在 375 纳米波长处激发时,配合物的可见光发射增加,使配合物具有双重发射性,这是由于配合物在 375 纳米波长处的吸收增加,以及 BODIPY 分子向镱离子的能量转移效率较低。
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引用次数: 0
Correction: Dicopper(i) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand 更正:双核、二阴离子、萘啶双(酰胺)配体的二氯化铜(I)配合物
IF 3.5 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/D5DT90059J
Laurent Sévery, T. Alexander Wheeler, Amelie Nicolay, Simon J. Teat and T. Don Tilley

Correction for ‘Dicopper(I) complexes of a binucleating, dianionic, naphthyridine bis(amide) ligand’ by Laurent Sévery et al., Dalton Trans., 2025, https://doi.org/10.1039/d5dt00034c.

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引用次数: 0
A difunctional Dy(III)-complex exhibiting single-molecule magnet behaviour and fluorescent cellular-imaging
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-21 DOI: 10.1039/d5dt00559k
Xuelian Wang, Zhaopeng Zeng, Mengyuan Li, Shuman Zhang, Xuhui Qin, Peipei Cen, Runmei Ding, Danian Tian, Xiangyu Liu
A mononuclear Dy(III) complex, with formula [Dy(Dicnq)(TFNB)3] (1), is synthesized through a self-assembly with 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (TFNB) and 6,7-dicyanodipyrido [2,2-d:2′,3′-f] quinoxaline (Dicnq) ligands. Single-crystal structure determination reveals that Dy(III) ion in complex 1 features an N2O6 octacoordinated environment with distorted square-antiprism D4d geometry. Magnetic data analysis shows that 1 behaves as a single-molecule magnet, with an energy barrier of 192 K under zero dc field. With an external field of 1200 Oe, the quantum tunneling of magnetization is suppressed in 1, resulting in an enhanced energy barrier of 261 K. Additionally, 1 displays a room-temperature photoluminescence. Leveraging the optical properties coupled with minimal cytotoxic effects of 1, we assess its suitability for cellular imaging applications. Subsequent laser confocal microscopy analysis reveals that 1 is capable of efficiently traversing the plasma membrane and nuclear membrane of HeLa cells, an observation that is not commonly reported in dysprosium-based complexes.
通过与 4,4,4-三氟-1-(2-萘基)-1,3-丁二酮(TFNB)和 6,7-二氰基二吡啶并[2,2-d:2′,3′-f]喹喔啉(Dicnq)配体的自组装,合成了一种单核镝(III)配合物,其化学式为[Dy(Dicnq)(TFNB)3](1)。单晶结构测定显示,络合物 1 中的 Dy(III) 离子具有 N2O6 八配位环境,其几何形状为畸变的方倒 D4d。磁性数据分析显示,复合物 1 具有单分子磁性,在零直流电场下的能量势垒为 192 K。此外,1 还显示出室温光致发光。利用 1 的光学特性和最小细胞毒性效应,我们评估了它在细胞成像应用中的适用性。随后的激光共聚焦显微镜分析表明,1 能够有效地穿过 HeLa 细胞的质膜和核膜,这在镝基复合物中并不多见。
{"title":"A difunctional Dy(III)-complex exhibiting single-molecule magnet behaviour and fluorescent cellular-imaging","authors":"Xuelian Wang, Zhaopeng Zeng, Mengyuan Li, Shuman Zhang, Xuhui Qin, Peipei Cen, Runmei Ding, Danian Tian, Xiangyu Liu","doi":"10.1039/d5dt00559k","DOIUrl":"https://doi.org/10.1039/d5dt00559k","url":null,"abstract":"A mononuclear Dy(III) complex, with formula [Dy(Dicnq)(TFNB)3] (1), is synthesized through a self-assembly with 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (TFNB) and 6,7-dicyanodipyrido [2,2-d:2′,3′-f] quinoxaline (Dicnq) ligands. Single-crystal structure determination reveals that Dy(III) ion in complex 1 features an N2O6 octacoordinated environment with distorted square-antiprism D4d geometry. Magnetic data analysis shows that 1 behaves as a single-molecule magnet, with an energy barrier of 192 K under zero dc field. With an external field of 1200 Oe, the quantum tunneling of magnetization is suppressed in 1, resulting in an enhanced energy barrier of 261 K. Additionally, 1 displays a room-temperature photoluminescence. Leveraging the optical properties coupled with minimal cytotoxic effects of 1, we assess its suitability for cellular imaging applications. Subsequent laser confocal microscopy analysis reveals that 1 is capable of efficiently traversing the plasma membrane and nuclear membrane of HeLa cells, an observation that is not commonly reported in dysprosium-based complexes.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"14 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666654","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
Isothiourea-based burial interface modification for high-efficiency and stable perovskite solar cells
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-20 DOI: 10.1039/d4dt03269a
Zipeng Tang, Chunlong Wang, Chunying Ma, Wenzhen Zou, Chao Wei, Xuanshuo Shanguan, Lu Zhou, Xiaoyu Li, Yongchun Ye, Liguo Gao, Yusran Sulaiman, Tingli Ma, Chu Zhang
Abstract: Senior oxygen-related defects including O vacancies and dangling O-H bonds in the SnO2 ETL result in non-radiative carrier recombination, which directly affect the efficiency performance and stability of perovskite solar cells. Meanwhile, undercoordinated Pb2+ can also induce non-radiative recombination of photogenerated carriers and provide a pathway for ion migration, leading to further degradation of solar cell performance. To tackle such issues, interface modification with multi-functional small molecules is usually considered a convenient way to inhibit non-radiative recombination and improving carrier transportation. Here, we employ two isothiourea group-based bridge molecule CESC (S-carboxyethyl isothiourea hydrochloride) together with DASC (S-[2-(Dimethylamino) ethyl] isothiourea Dihydrochloride) to passivate the burial interface between SnO2 and perovskite, realizing the dual functional passivation towards both filling O2- vacancy in SnO2 lattice and binding the uncoordinated ions. Perovskite solar cells fabricated with this method shows well-improved optoelectronic performance as well as resistance against ambient moisture. Compared with the control device (17.20%), the efficiency of the devices modified by DASC and CESC increased to 18.75% and 19.04%, respectively. The unpackaged solar cells treated with CESC and DASC maintained 91.2% and 89.5% of their initial efficiency, respectively, after aging for 1000 hours in a high humidity environment.
{"title":"Isothiourea-based burial interface modification for high-efficiency and stable perovskite solar cells","authors":"Zipeng Tang, Chunlong Wang, Chunying Ma, Wenzhen Zou, Chao Wei, Xuanshuo Shanguan, Lu Zhou, Xiaoyu Li, Yongchun Ye, Liguo Gao, Yusran Sulaiman, Tingli Ma, Chu Zhang","doi":"10.1039/d4dt03269a","DOIUrl":"https://doi.org/10.1039/d4dt03269a","url":null,"abstract":"Abstract: Senior oxygen-related defects including O vacancies and dangling O-H bonds in the SnO2 ETL result in non-radiative carrier recombination, which directly affect the efficiency performance and stability of perovskite solar cells. Meanwhile, undercoordinated Pb2+ can also induce non-radiative recombination of photogenerated carriers and provide a pathway for ion migration, leading to further degradation of solar cell performance. To tackle such issues, interface modification with multi-functional small molecules is usually considered a convenient way to inhibit non-radiative recombination and improving carrier transportation. Here, we employ two isothiourea group-based bridge molecule CESC (S-carboxyethyl isothiourea hydrochloride) together with DASC (S-[2-(Dimethylamino) ethyl] isothiourea Dihydrochloride) to passivate the burial interface between SnO2 and perovskite, realizing the dual functional passivation towards both filling O2- vacancy in SnO2 lattice and binding the uncoordinated ions. Perovskite solar cells fabricated with this method shows well-improved optoelectronic performance as well as resistance against ambient moisture. Compared with the control device (17.20%), the efficiency of the devices modified by DASC and CESC increased to 18.75% and 19.04%, respectively. The unpackaged solar cells treated with CESC and DASC maintained 91.2% and 89.5% of their initial efficiency, respectively, after aging for 1000 hours in a high humidity environment.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"76 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660769","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, Characterization and Bioactivity of Diorganotin(IV) Schiff Base Complexes as Potential Antimalarial and Antioxidant Agents: Insight through Cytotoxicity and Molecular Docking
IF 4 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2025-03-20 DOI: 10.1039/d5dt00274e
Jai Devi, Bharti Taxak, Binesh Kumar, swati rani
The infectious ailments are raising on rapid scale globally causing a high rate of mortality and morbidity. In pursuit of new and effective anti-infectious agents, this research presents the synthesis of eight diorganotin(IV) complexes (3–10), derived from 1-naphthyl thiourea and ketone derivatives. Comprehensive structural analysis, employing FT-IR, NMR (¹H, ¹³C, and ¹¹⁹Sn), SEM-EDAX, TGA, P-XRD and mass spectrometry, demonstrate that the ligands chelated with diorganotin(IV) ion through O-, S- and N- donor sites, adopting an pentacoordinated geometry. Biological assays states that the complexes have enhanced bio-efficacy relative to their corresponding ligands, with activity ranked as Ph₂SnL1-2 > Bu₂SnL1-2 > Et₂SnL1-2 > Me₂SnL1-2. Notably, complexes 6 (Ph2SnL1) and 10 (Ph2SnL2) exhibited highest malaria and oxidant controlling properties, with IC50 values ranging from 0.83 ± 0.08 - 0.95 ± 0.15 µM and 2.82 ± 0.03 - 3.09 ± 0.01 µM, correspondingly, comparable to their standard agents. The cytotoxicity evaluation against Vero cells also states that the complex 6 (Ph2SnL1) has lowest toxicity (21.96 ± 0.09 %) at 3.12 µg/mL concentration. Moreover, molecular docking study also reveals lowest binding score of -9.7 kcal/mol and significant hydrophobic interactions with key residues against 1U5A protein, demonstrating its highest bio-efficacy compared to ligand 1(H2L1). Theoretical and computational studies, along with ADMET Lab 2.0 evaluation, highlight the bioactivity of complex 6 (Ph2SnL1), suggesting its potential application in the medicinal sector due to its compliance with Lipinski's Rule of Five and strong pharmacokinetic properties, including oral bioavailability, permeability, and clearance comparable to standard drugs.
{"title":"Synthesis, Characterization and Bioactivity of Diorganotin(IV) Schiff Base Complexes as Potential Antimalarial and Antioxidant Agents: Insight through Cytotoxicity and Molecular Docking","authors":"Jai Devi, Bharti Taxak, Binesh Kumar, swati rani","doi":"10.1039/d5dt00274e","DOIUrl":"https://doi.org/10.1039/d5dt00274e","url":null,"abstract":"The infectious ailments are raising on rapid scale globally causing a high rate of mortality and morbidity. In pursuit of new and effective anti-infectious agents, this research presents the synthesis of eight diorganotin(IV) complexes (3–10), derived from 1-naphthyl thiourea and ketone derivatives. Comprehensive structural analysis, employing FT-IR, NMR (¹H, ¹³C, and ¹¹⁹Sn), SEM-EDAX, TGA, P-XRD and mass spectrometry, demonstrate that the ligands chelated with diorganotin(IV) ion through O-, S- and N- donor sites, adopting an pentacoordinated geometry. Biological assays states that the complexes have enhanced bio-efficacy relative to their corresponding ligands, with activity ranked as Ph₂SnL1-2 &gt; Bu₂SnL1-2 &gt; Et₂SnL1-2 &gt; Me₂SnL1-2. Notably, complexes 6 (Ph2SnL1) and 10 (Ph2SnL2) exhibited highest malaria and oxidant controlling properties, with IC50 values ranging from 0.83 ± 0.08 - 0.95 ± 0.15 µM and 2.82 ± 0.03 - 3.09 ± 0.01 µM, correspondingly, comparable to their standard agents. The cytotoxicity evaluation against Vero cells also states that the complex 6 (Ph2SnL1) has lowest toxicity (21.96 ± 0.09 %) at 3.12 µg/mL concentration. Moreover, molecular docking study also reveals lowest binding score of -9.7 kcal/mol and significant hydrophobic interactions with key residues against 1U5A protein, demonstrating its highest bio-efficacy compared to ligand 1(H2L1). Theoretical and computational studies, along with ADMET Lab 2.0 evaluation, highlight the bioactivity of complex 6 (Ph2SnL1), suggesting its potential application in the medicinal sector due to its compliance with Lipinski's Rule of Five and strong pharmacokinetic properties, including oral bioavailability, permeability, and clearance comparable to standard drugs.","PeriodicalId":71,"journal":{"name":"Dalton Transactions","volume":"70 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660771","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
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Dalton Transactions
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