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A nano-molar sensitive fluorescence sensor for cucurbit[7]uril 一种纳米摩尔灵敏度的葫芦[7]脲荧光传感器
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-29 DOI: 10.1007/s12039-024-02285-3
Karuppasamy Karpagalakshmi, Ramesh Prakash, Govindaraj Usha, Pavitra Rajendran, Lakshminarayanan Piramuthu, Narayanan Selvapalam

Cucurbit[n]urils (CB[n], n = 5–8) are the most important class of host molecules that are widely applied in various important applications. Until now, no sensitive sensor has been developed exclusively for detecting cucurbiturils. Here, we have utilized the supramolecular assembly of acriflavine and graphene oxide (ACF-GO) as a fluorescence sensor for the detection of cucurbituril family members such as CB[5], CB[6] and CB[7] with the discrimination of fluorescence intensities. Among them, CB[7] displayed the highest sensitivity, which can be detected as low as nano-molar concentration, and that allowed us to make a facile fluorescence method of detection for CB[7] and other CBs.

Graphical abstract

Supramolecular assembly of acriflavine on the graphene oxide turn-off the fluorescence of acriflavine and upon interaction with cucurbit[7]uril, that released the acriflavine to the solution and turn-on the fluorescence, which allowed to detect the CB[7] to the lowest of nano-molar concentration.

葫芦脲(CB[n],n = 5-8)是一类最重要的宿主分子,被广泛应用于各种重要领域。迄今为止,尚未开发出专门用于检测葫芦脲的灵敏传感器。在此,我们利用箭毒碱和氧化石墨烯的超分子组装(ACF-GO)作为荧光传感器,通过荧光强度的判别来检测葫芦素家族成员,如 CB[5]、CB[6]和 CB[7]。其中,CB[7]的灵敏度最高,其检测浓度可低至纳摩尔级,这使我们能够对CB[7]和其他CBs进行简便的荧光检测。图解摘要在氧化石墨烯上组装离心黄素的超分子化合物可关闭离心黄素的荧光,当与葫芦[7]脲相互作用时,可将离心黄素释放到溶液中并开启荧光,从而可检测到最低纳米摩尔浓度的 CB[7]。
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引用次数: 0
Chromite ore: X-ray fluorescence spectral analysis of Kβ and L-lines by WD-XRF 铬铁矿:利用 WD-XRF 对 Kβ 和 L 线进行 X 射线荧光光谱分析
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-28 DOI: 10.1007/s12039-024-02280-8
Ashok Kumar Maurya, Ashish Kumar Pandey, Piyali Deb Barman

This work delves into the utility of chromium’s X-ray fluorescence (XRF) lines for the analysis of chromite ores, employing a wavelength-dispersive XRF spectrometer. The CrLα1,2 and CrLβ1 fluorescence lines, despite not involving electronic transitions from valence to K-core shell, offer substantial insights into the valence state of chromium. This study examines these relatively unexplored but potentially valuable lines and compares them with the CrKβ series fluorescence lines. Intriguingly, our investigation reveals striking differences in the L-line fluorescence spectra between metallic chromium (Cr(0)), chromite ores (Fe, Mg)Cr2O4, and K2Cr2O7. Chemical shifts and peak shapes emerge as key discriminators, surpassing the sensitivity of the CrKβ1,3 lines. Notably, the chemical shifts of L-lines are amplified, showcasing a clear trend: Cr(III) exhibits a larger shift than Cr(VI), mirroring the pattern observed in the Kβ-lines. The fluorescence peak shapes of Lα1,2 and Lβ1 for metallic chromium and chromite ores (both have unpaired 3d-electrons) are similar, whereas those of K2Cr2O7 differ considerably in peak shape, indicating that unpaired 3d-electrons influence these peaks. A linear relationship was found between the area under the curve ratio for Lα1,2 and Lβ1 and the valence state of chromium.

Graphical Abstract

这项研究利用波长色散 XRF 光谱仪,深入研究了铬的 X 射线荧光 (XRF) 线在分析铬铁矿石中的用途。CrLα1,2和CrLβ1荧光线尽管不涉及从价层到K核壳的电子跃迁,但却为了解铬的价态提供了大量信息。本研究考察了这些相对未开发但具有潜在价值的荧光线,并将它们与 CrKβ 系列荧光线进行了比较。有趣的是,我们的研究揭示了金属铬(Cr(0))、铬铁矿石(Fe, Mg)Cr2O4 和 K2Cr2O7 之间 L 线荧光光谱的显著差异。化学位移和峰形是关键的判别因素,其灵敏度超过了 CrKβ1,3 线。值得注意的是,L 线的化学位移被放大,呈现出明显的趋势:Cr(III)的化学位移比 Cr(VI) 的大,这与在 Kβ 线中观察到的模式如出一辙。金属铬和铬矿石(都有未配对的 3d 电子)的 Lα1,2 和 Lβ1 荧光峰形状相似,而 K2Cr2O7 的荧光峰形状差别很大,这表明未配对的 3d 电子影响了这些荧光峰。发现 Lα1,2 和 Lβ1 的曲线下面积比与铬的价态之间存在线性关系。
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引用次数: 0
Coumarin-3-carboxylic acid: C3/C4-functionalizations and cyclization reactions 香豆素-3-羧酸:C3/C4 功能化和环化反应
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-28 DOI: 10.1007/s12039-024-02267-5
Fatemeh Doraghi, Mehdi Ghanbarlou, Amir Mohammad Mahdavian, Bahareh Bari, Bagher Larijani, Mohammad Mahdavi

Abstract

Due to the presence of a carboxyl group, coumarin-3-carboxylic acid can easily participate in C3-, and C4-functionalization, as well as cyclization reactions. The carboxyl moiety as a directing group enhances the reactivity of coumarins as dienophiles, which facilitates the participation of these scaffolds in the synthesis of various heterocycles. Hence, this review highlights the reports since 2010 on the contribution of coumarin-3-carboxylic acids in decarboxylative and cyclization reactions and discusses interesting reaction mechanisms.

Graphical abstract

Coumarins are privileged O-heterocycles and appear in biologically active natural and medicinal products. The presence of carboxyl as a directing group allowed coumarin-3-carboxylic acid to participate in C3-, or C4-functionalization, and annulations. This compound has attracted extensive attention from chemists in the field of cross-coupling methodologies to provide functionalized structures.

摘要由于羧基的存在,香豆素-3-羧酸很容易参与 C3 和 C4 功能化以及环化反应。羧基作为定向基团提高了香豆素作为亲二烯化合物的反应活性,从而促进了这些支架参与各种杂环化合物的合成。因此,本综述重点介绍了 2010 年以来有关香豆素-3-羧酸在脱羧反应和环化反应中的贡献的报道,并讨论了有趣的反应机理。羧基作为定向基团的存在使香豆素-3-羧酸能够参与 C3 或 C4 功能化和环化反应。这种化合物吸引了交叉偶联方法领域化学家的广泛关注,以提供功能化结构。
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引用次数: 0
Synthesis of Au–Pd@CeO_2 nanocomposite as a potential catalyst for the Buchwald–Hartwig cross-coupling and amination of benzyl alcohol reactions 合成 Au-Pd@CeO_2 纳米复合材料,作为 Buchwald-Hartwig 交叉偶联和苯甲醇胺化反应的潜在催化剂
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-24 DOI: 10.1007/s12039-024-02271-9
P. A. Kulkarni, S. S. Kahandal, A. G. Awale, Jagdish C. Bhangoji, S. Shendage
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引用次数: 0
Potassium tert-butoxide promoted a direct one-pot synthesis of nitriles from aldehydes at room temperature 叔丁醇钾促进了室温下由醛类直接一步合成腈类的过程
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-23 DOI: 10.1007/s12039-024-02282-6
Saurav Kumar, Ritika Kubba, Nityananda Agasti, Anitha Selvaraj, Anil Kumar
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引用次数: 0
Selection of solid-state electrolytes for lithium-ion batteries using clustering technique 利用聚类技术为锂离子电池选择固态电解质
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-20 DOI: 10.1007/s12039-024-02263-9
N. Nagappan, Ganapathi Rao Kandregula, K. Ramanujam
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引用次数: 0
Efficient one-pot process for synthesis of antiviral drug amantadine hydrochloride 抗病毒药物盐酸金刚烷胺的高效一步法合成工艺
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-15 DOI: 10.1007/s12039-024-02275-5
Vilas Sudrik, D. Karpe, Manohar D. Suryawanshi, D. Ukale, Arjun Bodkhe, S. Lawande
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引用次数: 0
A novel water-soluble quinoxalino[2,3-a] phenazine-based organic NIR photothermal agent for cancer phototherapy application 一种新型水溶性喹喔啉并[2,3-a]吩嗪基有机近红外光热剂在癌症光疗中的应用
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-09 DOI: 10.1007/s12039-024-02262-w
Siqi Liu, Xu Zhao, Hongying Ding, Liuyi Yang, Meng Zhao, Gaolei Xi, Tao Jia

Organic near-infrared (NIR) photothermal agents have tremendous potential in cancer therapy. Herein we report anovel NIR light responsive photothermal agent DDHT/F127 micelles, which has excellent photothermal properties and photostability, along with outstanding outcomes in cancer phototherapy.

Graphical abstract

A novel donor-acceptor (D-A)-type organic photothermal material 5,18-dibutyl-5,18- dihydro-diquinoxaline[2,3-a:2',3'-c]-phenazine (DDHT) was encapsulated with Pluronic® 127 (F127) material to form NIR light responsive photothermal agent DDHT/F127 micelles, which has excellent photothermal properties with photothermal conversion efficiency of 51.55% under 655 nm NIR laser irradiation, along with outstanding outcomes in cancer therapy.

有机近红外(NIR)光热剂在癌症治疗中具有巨大潜力。本文报道了一种新型近红外光响应光热剂 DDHT/F127 胶束,它具有优异的光热性能和光稳定性,在癌症光疗中效果显著。图解摘要一种新型的供体-受体(D-A)型有机光热材料5,18-二丁基-5,18-二氢-二喹喔啉[2,3-a:2',3'-c]-吩嗪(DDHT)与Pluronic® 127(F127)材料包裹成近红外光响应光热剂DDHT/F127胶束,该光热剂具有优异的光热性能,在655 nm的近红外波长下光热转换效率为51.在 655 纳米近红外激光照射下,其光热转换效率为 51.
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引用次数: 0
Synthesis and characterization of new intrinsic self-healing hydroxyl-terminated polybutadiene (HTPB) functionalized with 2-ureido-4-pyrimidinone 用 2-ureido-4-primyidinone 功能化的新型本征自愈合羟基封端聚丁二烯 (HTPB) 的合成与表征
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-07 DOI: 10.1007/s12039-024-02268-4
Mohsen Kazazi, Mehran Hayaty, Ali Mousaviazar

The unique properties of hydroxyl-terminated polybutadiene (HTPB) make it suitable for use in various fields. Because it is impossible to use external factors to repair the damage caused by HTPB polymer in all places, it is very useful to create intrinsic self-healing properties. In this study, HTPB polymer became intrinsically self-healing during three stages of hydrobromination, amination, and the addition of 2-ureido-4-pyrimidinone groups. ATR and NMR analysis confirmed the formation of intermediates and the final self-healing compound. Also, DSC analysis showed that the glass transition temperature of the resin, which is its most important feature, has not changed. After self-healing HTPB was synthesized, this resin was mixed with isophorone diisocyanate and coated on a glass slide. The cured polyurethane coating was scratched, and an optical microscope monitored the healing process for 24 h. The corrosion test of metal plates confirmed the creation of self-healing properties in the resin. The places of scratches created on the control sample were rusted in the sodium chloride solution, while the plates with modified resin coating did not show this issue.

Graphical Abstract

HTPB polymer becomes intrinsically self-healing during three stages of hydrobromination, amination, and the addition of 2-ureido-4-pyrimidinone groups. These groups have a great tendency to form hydrogen bonds and give intrinsic self-healing properties to the resin. Self-healing HTPB can repair damage without the need for an external agent.

羟基封端聚丁二烯(HTPB)的独特性能使其适用于各个领域。由于 HTPB 聚合物不可能在所有地方都利用外部因素来修复其损伤,因此创造内在自修复特性非常有用。在这项研究中,HTPB 聚合物在氢溴酸化、胺化和添加 2-ureido-4-primyidinone 基团的三个阶段中实现了内在自修复。ATR 和 NMR 分析证实了中间产物和最终自愈合化合物的形成。此外,DSC 分析表明,树脂的玻璃化转变温度(这是其最重要的特征)没有发生变化。合成自愈合 HTPB 后,将这种树脂与异佛尔酮二异氰酸酯混合并涂覆在玻璃载玻片上。固化后的聚氨酯涂层被划伤,光学显微镜监测了 24 小时的愈合过程。对照样品上的划痕在氯化钠溶液中被锈蚀,而涂覆了改性树脂涂层的金属板则没有出现这一问题。图解 摘要HTPB 聚合物在氢溴酸化、胺化和添加 2-ureido-4-pyrimidinone 基团的三个阶段中产生了内在的自愈性。这些基团极易形成氢键,并赋予树脂内在的自愈合特性。自愈合 HTPB 可修复损伤,而无需使用外加剂。
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引用次数: 0
Molecular docking of biologically active vanadium(III) hydroxamates: Synthesis, structural aspects, electrochemical and thermal behavior 具有生物活性的钒(III)羟基酰胺的分子对接:合成、结构、电化学和热行为
IF 1.7 4区 化学 Q3 Chemistry Pub Date : 2024-05-05 DOI: 10.1007/s12039-024-02274-6
Sonika Sharma, Shubham Sharma, Maridula Thakur, Meena Kumari

Microbial resistance is a growing threat to all of us worldwide. The need for rapid pharmaceutical solutions is a challenge for chemists. Computer-aided tools and molecular docking provide a speedy root for designing and investigating new metal-based drugs. Given this, the tris(hydroxamato)vanadium(III) complexes of composition [V(HL1–2)3] (I, II) (HL1 (=) 4-NO2C6H4CONHO; HL2 (=) 2-Cl-4-NO2C6H3-CONHO) have been synthesized by the reactions of VCl3 with three equivalents of different potassium hydroxamate ligands in dry methanol. Elemental analyses, molar conductivity, molecular weight determination, magnetic moment measurements and IR, UV-Vis spectral studies, and mass spectrometry have characterized complexes. The magnetic moment and electronic spectra are consistent with the +3 oxidation state of vanadium. Based on physicochemical and spectral techniques, a distorted octahedral geometry around vanadium has been proposed for complexes. The electrochemical behavior of complexes studied by cyclic voltammetry has displayed a quasi-reversible VIV/VIII redox couple. Molecular docking studies were conducted against the Klebsiella pneumoniae modA protein; complexes showed higher binding free energies than free ligands, displaying efficient binding at the protein groove. Therefore, the MIC method has evaluated free ligands and complexes for in vitro antimicrobial activity against bacteria and fungi.

Graphical Abstract

微生物的抗药性对全世界的威胁与日俱增。对快速制药解决方案的需求是化学家面临的一项挑战。计算机辅助工具和分子对接为设计和研究新的金属药物提供了快速的途径。有鉴于此,我们通过 VCl3 与三当量不同的羟基氨基甲酸酯钾配体在干燥甲醇中的反应,合成了成分为 [V(HL1-2)3] (I, II) (HL1 (=) 4-NO2C6H4CONHO-; HL2 (=) 2-Cl-4-NO2C6H3-CONHO- )的三(羟基氨基甲酸酯)钒(III)配合物。元素分析、摩尔电导率、分子量测定、磁矩测量、红外光谱、紫外-可见光谱研究和质谱分析对配合物进行了表征。磁矩和电子能谱与钒的 +3 氧化态一致。根据物理化学和光谱技术,提出了钒周围络合物的扭曲八面体几何结构。通过循环伏安法研究络合物的电化学行为,显示出准可逆的 VIV/VIII 氧化还原耦合。针对肺炎克雷伯氏菌 modA 蛋白进行了分子对接研究;与游离配体相比,配合物显示出更高的结合自由能,显示出与蛋白质沟槽的有效结合。因此,MIC 方法评估了自由配体和复合物对细菌和真菌的体外抗菌活性。
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引用次数: 0
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Journal of Chemical Sciences
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