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CeO2 nanocubes-based electrochemical sensor for the selective and simultaneous determination of dopamine in the presence of uric acid and ascorbic acid 基于CeO2纳米立方的电化学传感器用于尿酸和抗坏血酸存在下多巴胺的选择性和同时测定
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-31 DOI: 10.1007/s12039-023-02210-0
D Swathi Tharani, R Sivasubramanian

In this work, CeO2 nanocubes prepared by a simple co-precipitation method were employed for the determination of dopamine (DA) using an electrochemical method. The prepared material was characterized using morphological analysis like Transmission Electron Microscope (TEM) and the chemical structure was elucidated using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman and Fourier Transform Infrared (FTIR) spectroscopy respectively. From the TEM analysis, the growth of CeO2 nanocubes into nanorods was observed and particle size was determined to be 10 nm. The presence of cubic crystalline structure was confirmed through XRD and the structural analysis was confirmed using FTIR and Raman spectroscopy. The oxidation state of the elements was confirmed through XPS analysis. For the electrochemical redox reaction of DA, the CeO2-modified glassy carbon electrode (GCE) showed excellent catalytic activity towards the DA oxidation compared to bare GCE. The detection of DA using differential pulse voltammetry (DPV) showed a limit of detection (LOD) of 3.2 µM and a linear range of 10-300 µM, respectively. Similarly, for UA and AA, the detection limit and linear range were found to be 4.3 µM and 10 µM-700 µM for UA; 14 µM and 10 µM-250 µM, respectively for AA. The repeatability and reproducibility of the sensor were studied and the veracity of the sensor towards the estimation of DA in blood serum samples was analyzed. The admirable performance of the present biosensor could be potentially useful for biomedical applications.

Graphical abstract

CeOnanocubes were prepared by a facile chemical method. The enhanced catalytic activity was exhibited by CeOnanocubes towards the electro-oxidation of dopamine and excellent selectivity in the presence of uric acid and ascorbic acid.

本文采用简单共沉淀法制备了CeO2纳米立方体,并利用电化学方法测定了多巴胺(DA)。利用透射电镜(TEM)等形貌分析对制备的材料进行了表征,并分别利用x射线衍射(XRD)、x射线光电子能谱(XPS)、拉曼光谱(Raman)和傅里叶变换红外光谱(FTIR)对材料的化学结构进行了表征。通过TEM分析,观察到CeO2纳米立方体生长成纳米棒,确定粒径为10 nm。通过XRD和FTIR、拉曼光谱分析证实了结构的存在。通过XPS分析证实了元素的氧化态。对于DA的电化学氧化还原反应,ceo2修饰的玻碳电极(GCE)对DA的氧化表现出较好的催化活性。差分脉冲伏安法检测DA的检出限(LOD)为3.2µM,线性范围为10 ~ 300µM。同样,UA和AA的检出限和线性范围分别为4.3µM和10µM ~ 700µM;AA分别为14µM和10µM-250µM。研究了传感器的重复性和再现性,并分析了传感器对血清样品中DA估计的准确性。该传感器具有良好的性能,可用于生物医学领域。用简便的化学方法制备了ceo2纳米立方。CeO2纳米立方体对多巴胺电氧化的催化活性增强,在尿酸和抗坏血酸存在下具有良好的选择性。
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引用次数: 0
Towards universal detection with 213 nm for velocity map imaging 面向213 nm速度图成像的通用探测
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-31 DOI: 10.1007/s12039-023-02211-z
Sumitra Singh, Monali Kawade, Prahlad Roy Chowdhury, G Naresh Patwari

The velocity map imaging of the methyl radical formed by 266 nm photolysis of methyl iodide using the 213 nm non-resonant multi-photon ionization (NRMPI) method is presented. Comparison of the NRMPI method with the well-known 2+1 resonance enhanced multi-photon ionization (REMPI) method at 333.45 nm, which selectively probes the Q-branch of band-origin transition of the methyl radical, indicates that the NRMPI method yields a significantly higher I/I* branching, even though the velocity map images of both the methods are qualitatively similar. The higher I/I* branching ratio obtained in the NRMPI method is attributed to the non-resonant ionization of higher quanta states of the umbrella bending mode along with higher rotational states of the methyl fragment in the CH3+I dissociation channel. Further, photodissociation of the organic molecules yielding photofragments such as NO, CF3, CO, and several others could be detected and imaged using a 213 nm probe laser. Thus, results obtained in the present work signify that a 213 nm light source, which is easily available as the fifth harmonic of Nd:YAG laser, can be used as an alternative and efficient probe to investigate photodissociation dynamics of polyatomic molecules.

Graphical abstract

The utility of 213 nm (fifth harmonic of the Nd:YAG laser) as a universal ionization source in the imaging of several photodissociation products such as NO, CH3, CF3, CO, and other molecular fragments either via REMPI or NRMPI ionization methods is explored.

本文采用213nm非共振多光子电离(NRMPI)方法,对266nm光解碘化甲酯形成的甲基自由基进行了速度图成像。NRMPI方法与著名的2+1共振增强多光子电离(REMPI)方法(REMPI)在333.45 nm处选择性探测甲基自由基带源跃迁的q -分支)的比较表明,NRMPI方法产生了显著更高的I/I*分支,尽管两种方法的速度图图像在质量上相似。NRMPI方法获得的较高的I/I*分支比归因于伞式弯曲模式的高量子态的非共振电离以及CH3+I解离通道中甲基片段的高旋转态。此外,有机分子的光解作用产生的光碎片,如NO, CF3, CO,和其他几个可以检测和成像使用213 nm探针激光。因此,本研究的结果表明,213 nm光源作为Nd:YAG激光的五次谐波很容易获得,可以作为研究多原子分子光解动力学的替代探针。本文探讨了213 nm (Nd:YAG激光的五次谐波)作为通用电离源,通过REMPI或NRMPI电离方法对几种光解产物(如NO、CH3、CF3、CO和其他分子片段)进行成像的应用。
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引用次数: 0
Nickel(II) carbothioate complex incorporated graphene oxide-polyvinylidene fluoride ternary composite film: Preparation, structural features, dielectric, and electrical characteristics 碳硫酸镍(II)配合物掺入氧化石墨烯-聚偏氟乙烯三元复合薄膜:制备、结构特征、介电和电学特性
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-31 DOI: 10.1007/s12039-023-02209-7
Krishna Kumar, Srikanta Moharana, Akash Shrivastav, Subrato Bhattacharya

Graphene oxide-based materials are well known for their electrical properties. Novel ternary composite films (PVDF-GO-FK-31) were prepared by introducing a metal complex, for the first time, in a graphene oxide-PVDF polymer matrix (where PVDF = polyvinylidene fluoride; GO = graphene oxide; FK-31 = [Ni(PPh3)2(SCOf)2] (SCOf = furan-2-thiocarboxylate). In these composites, the graphene oxides show strong interfacial bonding with the PVDF matrix due to the incorporation of the FK-31 molecules. The experimental results showed that the incorporation of FK-31 into the PVDF-GO matrix greatly improved the dielectric constant and suppressed dielectric loss values. The composites thus may be used as dielectric materials for electronic capacitors.

Graphical Abstract

For the first time, a ternary composite was prepared by incorporating a newly synthesized square planar nickel(II) complex in a graphene oxide-PVDF polymer matrix and its dielectric and electric properties were studied. With increasing concentration of the complex in the ternary composite its dielectric constant and electrical conductivity increases while the dielectric loss decreases.

以氧化石墨烯为基础的材料以其电性能而闻名。在氧化石墨烯-PVDF聚合物基体(PVDF =聚偏氟乙烯;PVDF =聚偏氟乙烯;氧化石墨烯;FK-31 = [Ni(PPh3)2(SCOf)2] (SCOf =呋喃-2-硫代羧酸酯)。在这些复合材料中,由于FK-31分子的掺入,氧化石墨烯与PVDF基体表现出很强的界面键合。实验结果表明,在PVDF-GO基体中掺入FK-31可以显著提高介质常数,抑制介质损耗值。因此,所述复合材料可用作电子电容器的介电材料。摘要首次将新合成的方形平面镍(II)配合物掺入到氧化石墨烯- pvdf聚合物基体中制备了三元复合材料,并对其介电性能进行了研究。随着三元复合材料中配合物浓度的增加,其介电常数和电导率增大,而介电损耗减小。
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引用次数: 0
Catalytic performance of cadmium pyrophosphate in the knoevenagel condensation and one-pot multi-component reaction of chromene derivatives 焦磷酸镉在铬衍生物knoevenagel缩合及一锅多组分反应中的催化性能
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-31 DOI: 10.1007/s12039-023-02213-x
Soukaina Chehab, Youssef Merroun, Achraf Elhallaoui, Tourya Ghailane, Said Boukhris, Taoufiq Guedira, Rachida Ghailane, Abdelaziz Souizi

A simple, efficient, and eco-friendly process for the Knoevenagel condensation between various aromatic aldehydes and active methylene compounds and the synthesis of 2-amino-4H-chromene derivatives via a multi-component reaction of various aromatic aldehydes, malononitrile, and resorcinol catalyzed by mono-ammonium phosphate fertilizer (MAP) modified by cadmium chloride (CdCl2) is described. This synthesis procedure is considered an attractive method due to its excellent yields, short reaction time, green conditions, cost-effectiveness, use of a non-toxic solvent, non-chromatographic purification of products, and recyclability of the catalyst.

Graphical abstract

A simple, efficient, and ecofriendly process is proposed to synthesize 2-amino-4H-chromene and 2-(4-chlorobenzylidene) malononitrile derivatives via the application of cadmium pyrophosphate (Cd2P2O7) as catalyst prepared from the modification of mono-ammonium phosphate fertilizer (MAP) by adding cadmium chloride (CdCl2). The products were obtained with good yields in a short reaction time.

本文介绍了一种简单、高效、环保的方法,通过多种芳香醛、丙二腈和间苯二酚的多组分反应,在氯化镉(CdCl2)修饰的磷酸一铵肥料(MAP)的催化下,进行各种芳香醛和活性亚甲基化合物之间的Knoevenagel缩合反应,合成2-氨基- 4h -铬衍生物。由于收率高、反应时间短、环境环保、成本效益高、使用无毒溶剂、产物无需色谱纯化、催化剂可回收等优点,该合成方法被认为是一种极具吸引力的合成方法。以焦磷酸镉(Cd2P2O7)为催化剂,用氯化镉(CdCl2)对磷酸一铵肥(MAP)进行改性,制备了一种简单、高效、环保的2-氨基- 4h -铬和2-(4-氯苄二烯)丙二腈衍生物。反应时间短,产率高。
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引用次数: 1
Novel Ru(II) - N-Acetyl-Para-Aminophenol complex: synthesis, characterization, biological activities, DFT investigation and in silico ADMET studies 新型Ru(II) - n -乙酰基-对氨基酚配合物:合成、表征、生物活性、DFT研究和硅ADMET研究
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-25 DOI: 10.1007/s12039-023-02214-w
Amina Zerrouk, Ouiza Hamrani, Nor El Houda Medigue, Safia Kellou-Tairi, Zakia Hank

Ruthenium complexes have attracted great attention in the field of medicinal chemistry. The majority of Ruthenium drug complexes consist of Ru(III) ion ones. At this oxidation state, Ruthenium is considered inactive and must be reduced in vivo to lead to active complexes of Ruthenium(II). This study synthesized a new Ruthenium complex with N-Acetyl-Para-Aminophenol (APAP), usually known as Acetaminophen or Paracetamol, under reflux with Ru(III) salt. The resulting product was a Ru(II) complex characterized by elemental analysis and spectral measurements. The complex’s octahedral geometry was determined by both experimental analysis and theoretical calculations, and the APAP ligand was found to be monodentate through C=O. Ruthenium - N-Acetyl-Para-Aminophenol complex (Ru-APAP) was tested with DPPH essays and disk diffusion method to assess its antioxidant and antibacterial activities, respectively. The DFT method was also applied to predict structural and electronic properties, allowing us to understand the impact of this metallic complexation of APAP. IR and UV-visible theoretical spectra were also determined. Virtual ADMET calculations were accomplished to predict the pharmacokinetic and toxicity properties of the novel Ru-synthesized complex. Beyond the consistency of experimental results with the theoretical ones, our study revealed promising therapeutic properties of this novel paracetamol complex.

Graphical Abstract

Synthesis and structural characterization of a Ruthenium N-Acetyl-Para-Aminophenol complex are reported by both experimental analysis and theoretical calculations. To assess its biological activity, the complex was tested for antioxidant and antibacterial activities. The study showed promising therapeutic, supported by both experimental and theoretical findings.

钌配合物在药物化学领域引起了广泛的关注。大多数钌药物配合物由钌(III)离子组成。在这种氧化状态下,钌被认为是无活性的,必须在体内还原才能产生活性的钌(II)配合物。本研究在Ru(III)盐的回流下合成了一种新的钌配合物与n -乙酰基对氨基酚(APAP),通常被称为对乙酰氨基酚或扑热息痛。产物为Ru(II)配合物,经元素分析和光谱测量表征。通过实验分析和理论计算确定了配合物的八面体几何形状,通过C=O发现APAP配体为单齿体。采用DPPH法和圆盘扩散法对钌- n -乙酰基对氨基酚配合物(Ru-APAP)进行抗氧化和抗菌活性测定。DFT方法也被应用于预测结构和电子性能,使我们能够了解APAP金属络合的影响。测定了红外光谱和紫外可见理论光谱。虚拟ADMET计算完成预测新的ru合成的配合物的药代动力学和毒性特性。除了实验结果与理论结果的一致性之外,我们的研究还揭示了这种新型扑热息痛复合物的治疗特性。摘要本文通过实验分析和理论计算,合成了一种n -乙酰-对氨基酚钌配合物,并对其结构进行了表征。为了评价其生物活性,对该配合物进行了抗氧化和抗菌活性测试。实验和理论结果都表明,该研究具有良好的治疗效果。
{"title":"Novel Ru(II) - N-Acetyl-Para-Aminophenol complex: synthesis, characterization, biological activities, DFT investigation and in silico ADMET studies","authors":"Amina Zerrouk,&nbsp;Ouiza Hamrani,&nbsp;Nor El Houda Medigue,&nbsp;Safia Kellou-Tairi,&nbsp;Zakia Hank","doi":"10.1007/s12039-023-02214-w","DOIUrl":"10.1007/s12039-023-02214-w","url":null,"abstract":"<div><p>Ruthenium complexes have attracted great attention in the field of medicinal chemistry. The majority of Ruthenium drug complexes consist of Ru(III) ion ones. At this oxidation state, Ruthenium is considered inactive and must be reduced <i>in vivo</i> to lead to active complexes of Ruthenium(II). This study synthesized a new Ruthenium complex with N-Acetyl-Para-Aminophenol (APAP), usually known as Acetaminophen or Paracetamol, under reflux with Ru(III) salt. The resulting product was a Ru(II) complex characterized by elemental analysis and spectral measurements. The complex’s octahedral geometry was determined by both experimental analysis and theoretical calculations, and the APAP ligand was found to be monodentate through C=O. Ruthenium - N-Acetyl-Para-Aminophenol complex (Ru-APAP) was tested with DPPH essays and disk diffusion method to assess its antioxidant and antibacterial activities, respectively. The DFT method was also applied to predict structural and electronic properties, allowing us to understand the impact of this metallic complexation of APAP. IR and UV-visible theoretical spectra were also determined. Virtual ADMET calculations were accomplished to predict the pharmacokinetic and toxicity properties of the novel Ru-synthesized complex. Beyond the consistency of experimental results with the theoretical ones, our study revealed promising therapeutic properties of this novel paracetamol complex.</p><h3>Graphical Abstract</h3><p>Synthesis and structural characterization of a Ruthenium N-Acetyl-Para-Aminophenol complex are reported by both experimental analysis and theoretical calculations. To assess its biological activity, the complex was tested for antioxidant and antibacterial activities. The study showed promising therapeutic, supported by both experimental and theoretical findings.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2023-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76069467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental and theoretical studies on new organotin(IV) complexes with oxygen donor ligand: DNA binding, molecular docking and antimicrobial activity 新型有机锡氧配体配合物的实验与理论研究:DNA结合、分子对接与抗菌活性
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-23 DOI: 10.1007/s12039-023-02207-9
Rabbia Khan, Sonia Rani, Muhammad Tariq, Faiz Rasool, Ajaz Hussain, Khalid Mahmood, Hafiz Muhammad Asif, Muhammad Usman, Muhammad Sirajuddin

In the present paper, oxygen donor ligand having carboxylate moiety and two new tri-organotin(IV) carboxylates, (Ph3Sn)2L (1) and (n-Bu3Sn)2L (2) were prepared successfully and characterized by FT-IR, NMR and UV-visible spectroscopic analysis. FT-IR results for complexes (1) and (2) with ∆ν values 216 and 188 cm-1 indicated bidentate binding mode of ligand leading to trigonal bipyramidal geometry. NMR spectral results of ligand and complexes were compared and complex formation was confirmed by disappearance of carboxylic acidic proton in the range 13.14-13.10 ppm. DFT studies were performed for comparative spectroscopic studies i.e., FT-IR, UV-Vis and to reveal the structural geometrical parameters of ligand and complexes which showed an outstanding collaboration between the DFT-based results and attained experimental results. The antimicrobial potential of newly synthesized ligand and complexes were evaluated and results exhibited significant potential by these compounds. The antibacterial molecular docking results revealed that complex (Ph3Sn)2L (1) has excellent binding capability with the target protein (2EX9) and the complex (n-Bu3Sn)2L (2) has the least binding with protein. The antifungal docking results revealed that metal presence enhances the anti-fungal activity of the compounds and the results are in good agreement with experimental results. The DNA binding results revealed that organotin(IV) complexes interact with DNA better than ligand via an intercalative mode of interaction as indicated by hypochromism.

Graphical abstract

We report DFT and Molecular Docking-based computational studies of HL1, Complex (1), and Complex (2). Consequently, an outstanding collaboration between the DFT-based results and experimental results was attained. These compounds have shown anti-tumor potential as indicated by binding constant values of 1.087 x 105 M-1, 2.73 x 104 M-1, and 1.26 x 102 M-1 for ligand HL1, complex (1) and (2) respectively, and hypochromic effect indicate intercalative mode of binding interaction.

本文成功制备了具有羧酸基的氧供体配体和两种新的三有机锡(IV)羧酸盐(Ph3Sn)2L(1)和(n-Bu3Sn)2L(2),并通过FT-IR、NMR和紫外可见光谱分析对其进行了表征。∆ν为216和188 cm-1的配合物(1)和(2)的FT-IR结果表明配体的双齿结合模式导致三角形双锥体几何结构。配体和配合物的NMR结果进行了比较,在13.14 ~ 13.10 ppm范围内羧酸质子消失,证实了配合物的形成。DFT研究用于比较光谱研究,即FT-IR, UV-Vis,并揭示配体和配合物的结构几何参数,这表明基于DFT的结果与已获得的实验结果之间具有出色的协作性。对新合成的配体和配合物的抗菌潜力进行了评价,结果表明这些化合物具有显著的抗菌潜力。抗菌分子对接结果表明,配合物(Ph3Sn)2L(1)与靶蛋白(2EX9)的结合能力较好,配合物(n-Bu3Sn)2L(2)与蛋白的结合能力最小。抗真菌对接结果表明,金属的存在增强了化合物的抗真菌活性,与实验结果吻合较好。DNA结合结果表明,有机锡(IV)复合物与DNA的相互作用优于配体,通过插入式相互作用模式显示了低色性。我们报道了基于DFT和分子对接的HL1、Complex(1)和Complex(2)的计算研究。因此,基于DFT的结果和实验结果之间取得了很好的合作。这些化合物对配体HL1、配合物(1)和(2)的结合常数分别为1.087 × 105 M-1、2.73 × 104 M-1和1.26 × 102 M-1,显示出抗肿瘤的潜力,而异色效应表明了结合相互作用的插入模式。
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引用次数: 0
Hydration behavior under confinement and in the presence of a cosolvent: an exploration based on molecular dynamics simulation 约束和共溶剂存在下的水化行为:基于分子动力学模拟的探索
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-19 DOI: 10.1007/s12039-023-02201-1
Brataraj Ghosh, Sarbajit Layek, Neelanjana Sengupta

Ever since the discovery of graphene sheets and carbon nanotubes (CNT) nearly seven decades ago, their potential applications have grown manifold; such ideas now include the construction of cheaper biosensors and nanofiltration devices. It has been observed from previous studies that the water molecules flow through hydrophobic confinement, by maintaining a single chain-like structure or making distinct layers depending upon the nanochannel dimensions. Our previous study reported the anomalous behavior of confined water up to a certain length of the nanotube in the presence of a cosolvent hexafluoro-2-propanol (HFIP). Our current work showcases the interplay between density deviation and the dynamical fluctuations of confined water molecules at different time points along with different length scales of the carbon nanotube in the presence or absence of the aforementioned cosolvent.

Graphical abstract

In this article we elaborate on the effect of cosolvent impurity within hydrophobic confinement of single-walled carbon nanotubes (SWCNT) of variable length scale; through density deviation-based entropic estimation coupled with dynamical fluctuation. The study lends important insight into hydration behavior inside nanoconfinement alongside the non-covalent surface functionalization of CNT.

自从近70年前石墨烯片和碳纳米管(CNT)被发现以来,它们的潜在应用已经发展到多方面;这些想法现在包括建造更便宜的生物传感器和纳滤装置。从先前的研究中观察到,水分子通过疏水约束流动,通过保持单链状结构或根据纳米通道的尺寸形成不同的层。我们之前的研究报道了在六氟-2-丙醇(HFIP)共溶剂存在下,纳米管中一定长度的封闭水的异常行为。我们目前的工作展示了在存在或不存在上述共溶剂的情况下,不同时间点以及不同长度尺度的碳纳米管的密度偏差和封闭水分子的动态波动之间的相互作用。本文阐述了共溶剂杂质对变长尺度单壁碳纳米管疏水约束的影响;通过基于密度偏差的熵估计与动态涨落相结合。该研究为纳米限制内的水化行为以及碳纳米管的非共价表面功能化提供了重要的见解。
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引用次数: 0
Extraction of RMS roughness of Pt, Au and graphene electrodes using electrochemical impedance spectroscopy 电化学阻抗谱法提取Pt、Au和石墨烯电极的均方根粗糙度
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-12 DOI: 10.1007/s12039-023-02195-w
Himanshi Goel, Chanchal Gupta, Rama Kant

The impedance method is developed for the in-situ determination of electroactive RMS roughness of the electrode for different electrochemical systems. Three electrochemical systems are analyzed to show the wider applicability of this method, viz., (i) rough gold electrode in RTIL medium containing ferrocene, (ii) rough platinum electrode in a mixture of glycerol and water containing potassium ferro/ferricyanide, (iii) drop casted rGO/glassy carbon electrode in aqueous sodium nitrate containing potassium ferro/ferricyanide. The electrochemical impedance spectroscopy (EIS) under reversible electron transfer condition on a rough electrode has an intermediate frequency domain with an anomalous Warburg response. When the diffusion length ((sqrt{D/omega })) becomes equal to the RMS roughness at a characteristic frequency ((omega _M)) which is manifested in experimental EIS data as a maximum point in phase angle, where D is the diffusion coefficient of an electroactive species. The frequency range: ((omega _M/50 le omega le 5 ,omega _M)) represents the anomalously enhanced diffusion which is caused by the trapping of diffusing electroactive molecules in rugged landscape. Additional advantage of this method is explored for determination of unknown diffusion coefficient through equation: (sqrt{D_1/omega _{M1}}=sqrt{D_2/omega _{M2}}), using same electrode in two different media with diffusion coefficient (D_1) and (D_2). Finally, experimental results shows the resilience of this novel in-situ EIS method for the determination of h and D in different media.

采用阻抗法对不同电化学体系的电极进行了电活性均方根粗糙度的原位测定。分析了三种电化学系统,以显示该方法的更广泛适用性,即(i)含二茂铁的RTIL介质中的粗金电极,(ii)含铁钾/铁氰化钾的甘油和水混合物中的粗铂电极,(iii)滴铸氧化石墨烯/玻碳电极在含铁钾/铁氰化钾的硝酸钠水溶液中。粗糙电极上可逆电子转移条件下的电化学阻抗谱(EIS)具有中频域反常Warburg响应。当扩散长度((sqrt{D/omega }))等于特征频率((omega _M))处的RMS粗糙度(实验EIS数据中表现为相角最大值点)时,其中D为电活性物质的扩散系数。频率范围:((omega _M/50 le omega le 5 ,omega _M))表示异常增强的扩散,这是由扩散的电活性分子在崎岖地形中被捕获引起的。该方法的另一个优点是通过方程:(sqrt{D_1/omega _{M1}}=sqrt{D_2/omega _{M2}}),在两种不同的介质中使用相同的电极,扩散系数分别为(D_1)和(D_2)。最后,实验结果表明了该原位EIS法在不同介质中测定h和D的弹性。
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引用次数: 1
Fe3O4@SiO2@BHA-Cu(II) as a new, effective, and magnetically recoverable catalyst for the synthesis of polyhydroquinoline and tetrazole derivatives Fe3O4@SiO2@BHA-Cu(II)作为合成聚对苯二酚和四唑衍生物的新型、有效、磁可回收催化剂
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-12 DOI: 10.1007/s12039-023-02206-w
Masoomeh Norouzi, Shima Beiranvand

A magnetically recoverable heterogeneous Fe3O4@SiO2@BHA-Cu(II) nanocomposite was prepared by immobilizing a novel Cu(II) complex on the nanoparticles. The catalyst was characterized by FT-IR, TGA, VSM, TEM, FESEM, XRD, ICP, and EDX techniques. The catalytic activity of nanocatalysts in the synthesis of tetrazoles and polyhydroquinoline derivatives was investigated. This new and recyclable magnetic nanocatalyst has outstanding features such as short reaction time, high atom economy, easy work-up, mild reaction conditions, and excellent yields of the products.

Graphical abstract

A non-toxic and practical Fe3O4@SiO2@BHA-Cu(II) nanocatalyst was prepared using accessible and simple starting material. The structure, morphology and properties of nanocatalyst were fully characterized using different techniques. In this method, the catalyst is capable of synthesizing a set of NH-containing heterocycles through multicomponent reactions and also shows good reusability.

通过在纳米颗粒上固定一种新型Cu(II)配合物,制备了一种磁可回收的异相Fe3O4@SiO2@BHA-Cu(II)纳米复合材料。采用FT-IR、TGA、VSM、TEM、FESEM、XRD、ICP、EDX等技术对催化剂进行了表征。研究了纳米催化剂在四氮唑和聚对苯二酚衍生物合成中的催化活性。该新型可循环利用的磁性纳米催化剂具有反应时间短、原子经济性高、易于制备、反应条件温和、产物收率高等特点。采用易接近、简单的原料制备了一种无毒实用的Fe3O4@SiO2@BHA-Cu(II)纳米催化剂。采用不同的技术对纳米催化剂的结构、形态和性能进行了全面表征。在该方法中,催化剂能够通过多组分反应合成一组含nh的杂环,并且具有良好的可重复使用性。
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引用次数: 2
Optical detection of nitroaromatic compounds using MAPbBr3 at room temperature MAPbBr3在室温下的光学检测硝基芳香族化合物
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2023-08-12 DOI: 10.1007/s12039-023-02191-0
Rajit Sikka, Pawan Kumar

Methylammonium lead bromide, i.e., MAPbBr3, has been synthesized at room temperature through chemical stirring method. The structural characterization of synthesized MAPbBr3 has been confirmed through X-ray diffraction technique, Field emission scanning electron microscopy, Fourier transform infrared, thermogravimetric analysis and UV-Vis spectroscopy. Afterward, the optical properties (excitation wavelength 415 nm; emission wavelength = 535 nm) of MAPbBr3 were confirmed through a photoluminescence spectrophotometer. To end, MAPbBr3 has been used for the optical detection of nitroaromatic compounds, i.e., nitrobenzene (NB), dinitrobenzene (DNB), dinitrotoluene (DNT), trinitrophenol (TNT) in hexane. Our research has confirmed the 7.1 ppb and 10 ppb detection limit (LOD) for nitrobenzene and di-nitrobenzene only using MAPbBr3, respectively. Importantly, we found out the selectivity %, i.e., 1.3% and 2.7% in the case of nitrobenzene and dinitrobenzene sensing using MAPbBr3 in hexane, respectively.

采用化学搅拌法,在室温下合成了甲基溴化铅铵,即MAPbBr3。通过x射线衍射技术、场发射扫描电镜、傅里叶变换红外、热重分析和紫外可见光谱等手段对合成的MAPbBr3进行了结构表征。之后的光学性质(激发波长415 nm;通过光致发光分光光度计确定了MAPbBr3的发射波长= 535 nm。最后,MAPbBr3被用于硝基芳香族化合物的光学检测,即硝基苯(NB)、二硝基苯(DNB)、二硝基甲苯(DNT)、三硝基苯酚(TNT)。我们的研究证实了仅使用MAPbBr3对硝基苯和二硝基苯的检测限(LOD)分别为7.1 ppb和10 ppb。重要的是,我们发现MAPbBr3在己烷中对硝基苯和二硝基苯的选择性分别为1.3%和2.7%。
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