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Examining the inhibitory potency of metal polyphenolic network–coated silver nanoparticles against amyloid fibrillogenesis of lysozyme 研究金属多酚网络包覆银纳米粒子对溶菌酶淀粉样纤维生成的抑制作用。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-02 DOI: 10.1016/j.saa.2024.125375
Yu-Hsuan Kung , Chia-Yu Chang , You-Ren Lai , Jia-Xun Li , Su-Chun How
There are currently over forty degenerative diseases that are correlated with abnormal accumulation of peptide/protein aggregates in the human body, such as Alzheimer’s disease. Due to their unique physiochemical properties (e.g., small size, large surface-to-volume ratio, and facile surface modification), silver nanoparticles (AgNPs) have been considered potential substrates for designing inhibitors against amyloid fibrillogenesis. Metal polyphenolic network (MPN) that combines the characteristics of organic and inorganic components has been used to suppress amyloid fibril formation. This study is aimed at investigating the effects of MPN–coated AgNPs (MPN–AgNPs) on the in vitro amyloid fibrillogenesis of hen lysozyme (HEWL). The two types of MPN–AgNPs (Zn/MPN–AgNPs and Co/MPN–AgNPs) were synthesized through chemical reduction and metal chelation, and their particle sizes were determined to be in the range of 40–60 nm. The characterization of MPN–AgNPs by ζ–potential and transmission electron microscopy showed that the MPN–AgNPs had negative surface charge and spherical-shaped morphology. Furthermore, the elemental analysis demonstrated that the MPN was uniformly coated on the surface of AgNPs. The thioflavin T fluorescence results revealed that the Co/MPN–AgNPs showed a better percent of inhibition compared to Zn/MPN–AgNPs and TA–AgNPs. The kinetics data of amyloid fibril formation in the presence of MPN–AgNPs were analyzed using the sigmoidal curve, showing that the MPN–AgNPs reduced fibril growth rate and prolonged lag time. Our findings also demonstrated that MPN–AgNPs could effectively suppress HEWL aggregation upon binding to aggregation-prone regions. The quenching of intrinsic fluorescence of HEWL by MPN–AgNPs was found to be a static type. Moreover, the fluorescence quenching data were analyzed using the modified Stern-Volmer equation to determine the number of binding sites. Notably, our findings indicated that the binding between HEWL and MPN–AgNPs was mainly governed by hydrophobic interaction. This work offers an excellent example of utilizing MPN–based materials as anti-aggregating/anti-fibrillogenic nano-drugs for the treatment of amyloidosis.
目前有四十多种退行性疾病与人体内肽/蛋白质聚集体的异常积累有关,如阿尔茨海默病。银纳米粒子(AgNPs)因其独特的理化特性(如体积小、表面体积比大和易于表面修饰),一直被认为是设计淀粉样蛋白纤维生成抑制剂的潜在底物。结合了有机和无机成分特点的金属多酚网络(MPN)已被用于抑制淀粉样纤维的形成。本研究旨在探讨MPN包覆的AgNPs(MPN-AgNPs)对母鸡溶菌酶(HEWL)体外淀粉样纤维生成的影响。通过化学还原和金属螯合合成了两种类型的 MPN-AgNPs(Zn/MPN-AgNPs 和 Co/MPN-AgNPs),并确定其粒径在 40-60 nm 之间。ζ电位和透射电子显微镜对 MPN-AgNPs 的表征表明,MPN-AgNPs 具有负表面电荷和球形形态。此外,元素分析表明 MPN 均匀地包覆在 AgNPs 表面。硫黄素 T 荧光结果显示,与 Zn/MPN-AgNPs 和 TA-AgNPs 相比,Co/MPN-AgNPs 的抑制率更高。使用西格玛曲线分析了 MPN-AgNPs 存在下淀粉样纤维形成的动力学数据,结果表明 MPN-AgNPs 降低了纤维的生长速度,延长了滞后时间。我们的研究结果还表明,MPN-AgNPs 与易聚集区域结合后,可有效抑制 HEWL 的聚集。MPN-AgNPs 对 HEWL 固有荧光的淬灭是静态的。此外,荧光淬灭数据还通过改良的 Stern-Volmer 方程进行分析,以确定结合位点的数量。值得注意的是,我们的研究结果表明,HEWL 与 MPN-AgNPs 之间的结合主要受疏水相互作用的支配。这项研究为利用基于 MPN 的材料作为抗聚集/抗纤化纳米药物治疗淀粉样变性病提供了一个很好的范例。
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引用次数: 0
Green spectrophotometric approaches applied to tertiary mixture for management of common cold and COVID-19 symptoms 绿色分光光度法应用于治疗普通感冒和 COVID-19 症状的三级混合物。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-02 DOI: 10.1016/j.saa.2024.125381
Rabab M. Soliman , Nadia M. Mostafa , Yasmin M. Fayez , Hany H. Monir , Yasmin Rostom
Recently, cold and cough dosage forms have gained significant attention due to their use in the supportive protocols for managing COVID-19 symptoms. In this study, a pharmaceutical formulation containing Paracetamol (PAR), Guaifenesin (GUA), and Phenylephrine hydrochloride (PHE) was investigated for spectral resolution and quantification using advanced spectrophotometric methods. The spectra of these components were significantly overlapped and present in their combined tablet in a challenging ratio of 250:100:5 for PAR, GUA, and PHE, respectively. The established approaches were employed for the simultaneous determination of these drugs in their pharmaceutical formulation without interference from matrix excipients. The study involved various manipulation steps, allowing each component in the combination to be analyzed by more than one approach. Integrating these methods with smart mathematical techniques, the issue of spectral data overlap was resolved without the need for preliminary separation steps. The developed methods are dual wavelength, first derivative, derivative ratio, ratio difference, constant center coupled with spectrum subtraction, and constant multiplication paired with spectrum subtraction. The proposed methods were linear over the concentration range of 3.0–35.0 μg/mL for GUA and 3.0–30.0 μg/mL for PHE. While the PAR ranges for the first derivative and constant multiplication methods were 2.5–35.0 μg/mL and 2.5–25.0 μg/mL, respectively. Excellent linearity of the suggested methods was demonstrated by the high correlation coefficients (R2), ≥ 0.9998 for all the tested compounds. These methodologies were validated according to ICH guidelines. Validation results demonstrated excellent accuracy, with recovery percentages ranging from 98 to 102 %, and precision, with RSD values less than 2 %. The obtained results were statistically compared with the official ones using F-test, Student’s t-test, and one-way ANOVA, revealing no significant differences. The proposed methods are accurate, green, smart, fast, and cost-effective. Their compliance with Green Analytical Chemistry principles was evaluated and compared to a published method using various tools to enable a more holistic evaluation from different perspectives. The promising results revealed that the investigated methods are superior green alternatives for routine analysis of the cited drugs in laboratories with limited resources and without access to expensive instruments.
最近,感冒和咳嗽剂型因其在控制 COVID-19 症状的辅助方案中的应用而备受关注。本研究采用先进的分光光度法,对含有扑热息痛(PAR)、愈创木酚(GUA)和盐酸去氧肾上腺素(PHE)的药物制剂进行了光谱分辨率和定量研究。这些成分的光谱明显重叠,在它们的组合片剂中,PAR、GUA 和 PHE 的挑战性比例分别为 250:100:5。在不受基质辅料干扰的情况下,采用既定方法同时测定了药物制剂中的这些药物。该研究涉及多个操作步骤,允许用一种以上的方法对组合物中的每种成分进行分析。通过将这些方法与智能数学技术相结合,解决了光谱数据重叠的问题,而无需进行初步分离步骤。所开发的方法包括双波长法、一阶导数法、导数比值法、比值差法、常量中心与光谱减法结合法以及常量乘法与光谱减法结合法。所提出的方法在 GUA 浓度为 3.0-35.0 μg/mL 和 PHE 浓度为 3.0-30.0 μg/mL 的范围内呈线性关系。而一阶导数法和常数倍增法的 PAR 范围分别为 2.5-35.0 μg/mL 和 2.5-25.0 μg/mL。所有受测化合物的相关系数(R2)均≥ 0.9998,这表明所建议的方法具有良好的线性关系。根据 ICH 指南对这些方法进行了验证。验证结果表明,这些方法的准确度和精密度都非常高,回收率在 98% 到 102% 之间,RSD 值小于 2%。使用 F 检验、学生 t 检验和单因素方差分析对所获得的结果与官方结果进行了统计比较,结果显示两者之间没有显著差异。所提出的方法准确、绿色、智能、快速、经济。使用各种工具对这些方法是否符合绿色分析化学原则进行了评估,并与已公布的方法进行了比较,以便从不同角度进行更全面的评估。令人鼓舞的结果表明,所研究的方法是在资源有限且无法获得昂贵仪器的实验室中对上述药物进行常规分析的优越绿色替代方法。
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引用次数: 0
Mitochondria/lysosome dual-organelle labelling esterase probe for monitoring cell viability and evaluating lung cancer drug efficiency 用于监测细胞活力和评估肺癌药物疗效的线粒体/溶酶体双细胞器标记酯酶探针
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-02 DOI: 10.1016/j.saa.2024.125379
Mengye He, Jing Wang, Liping Wang, Bangping Hu, Xing-Can Shen, Hua Chen
Monitoring of cell viability plays a key role in cancer therapy and evaluation of drug efficiency. Mitochondria and lysosomes are involved in regulating cell viability in many biological processes such as apoptosis, necrosis, autophagy, and cell proliferation. Thus, there is an emerging interest in the real-time evaluation of cell viability in both mitochondria and lysosomes. Herein, for the first time, we rationally designed and developed a mitochondria/lysosome dual-organelle labelling esterase-responsive ratiometric fluorescent probe, named TMLE-2, for dual-channel monitoring of cell viability and evaluation of lung cancer drug efficiency. TMLE-2 showed dramatic ratio fluorescence changes (about 51-fold) upon reacting with esterase. Furthermore, TMLE-2 enabled visualization of mitochondria and lysosomes with red and green emission, respectively; moreover, H2O2-induced cell damage, sorafenib-induced ferroptosis and ascorbic-acid-mediated cell protective effects were successfully assessed by dual-organelle ratiometric fluorescent imaging and flow cytometry data. More importantly, TMLE-2 was successfully used for the first time to evaluate the efficiency of lung cancer drugs at the cellular and tissue levels based on dual-organelle esterase activity assay. In summary, the newly designed TMLE-2 is expected to have enormous potential for facilitating advancements in biomedical fields related to cell viability.
监测细胞活力在癌症治疗和药物效率评估中起着关键作用。线粒体和溶酶体在细胞凋亡、坏死、自噬和细胞增殖等许多生物过程中参与调节细胞活力。因此,对线粒体和溶酶体的细胞活力进行实时评估的兴趣日渐浓厚。在此,我们首次合理设计并开发了一种线粒体/溶酶体双细胞器标记酯酶响应比率荧光探针,命名为TMLE-2,用于双通道监测细胞活力和评估肺癌药物效率。TMLE-2 与酯酶反应后,其比率荧光发生了显著变化(约 51 倍)。此外,TMLE-2 还能以红色和绿色发射分别显示线粒体和溶酶体;而且,H2O2 诱导的细胞损伤、索拉非尼诱导的铁变态反应以及抗坏血酸介导的细胞保护效应都能通过双细胞器比率荧光成像和流式细胞仪数据得到成功评估。更重要的是,基于双细胞器酯酶活性检测,TMLE-2 首次成功用于评估肺癌药物在细胞和组织水平的疗效。总之,新设计的 TMLE-2 在促进与细胞活力相关的生物医学领域的发展方面具有巨大潜力。
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引用次数: 0
A novel ratiometric fluorescent sensor array based on the copper clusters hydrogels coupling of DNA 基于 DNA 耦合铜簇水凝胶的新型比率荧光传感器阵列
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-01 DOI: 10.1016/j.saa.2024.125364
Haiyan Cao , Wenfei Dong , Si Shi , Wenbing Shi
Hydrogels with DNA possess flexible and designable 3D cross-linked polymer networks, which generate numerous specific stimulus–response characteristics through reasonable design for the potential sensor array applications. Unfortunately, the complementary fragments of specific nucleotide sequences that form cross-links in the hydrogels with DNA often come across these problems of instability and high-cost, leading to a serious impediment to further application. Herein, we construct a novel ratiometric fluorescence sensor array to discriminate and quantify metal ions based on the hydrogels with DNA. The dual-emission hydrogels with DNA were synthesized by the self-assembly reaction of agarose, low-cost nonspecific sequence double-stranded DNA, and optically active copper nanoclusters (Cu NCs) with aggregation-induced emission (AIE) effect. Interestingly, different metal ions could precisely regulate the skeleton network of the hydrogels with DNA, leading to the change of their skeleton network and thus showing the distinguishing FL responses of the hydrogels with DNA. As a proof-of-concept demonstration, the ratiometric fluorescence sensor array was used to discriminate four metal ions (Pb2+, Co2+, Ni2+, and Cr(VI)) at multiple concentrations and metal ion mixtures. It exhibited a good linearity in quantitative analysis and reproducibility. Such a simple and high-sensitivity sensor array has been successfully applied to the high-through discrimination of toxic metal ions in environmental and serum samples.
含 DNA 的水凝胶具有灵活、可设计的三维交联聚合物网络,通过合理设计可产生多种特定的刺激-响应特性,从而实现潜在的传感器阵列应用。遗憾的是,在 DNA 水凝胶中形成交联的特定核苷酸序列互补片段往往存在不稳定和成本高昂等问题,严重阻碍了其进一步应用。在此,我们基于 DNA 水凝胶构建了一种新型比率荧光传感器阵列,用于区分和量化金属离子。DNA 双发射水凝胶是由琼脂糖、低成本的非特异性序列双链 DNA 和具有聚集诱导发射(AIE)效应的光学活性铜纳米团簇(Cu NCs)通过自组装反应合成的。有趣的是,不同的金属离子可以精确地调节带有 DNA 的水凝胶的骨架网络,导致其骨架网络发生变化,从而显示出带有 DNA 的水凝胶不同的 FL 响应。作为概念验证,该比率荧光传感器阵列被用于分辨多种浓度和金属离子混合物中的四种金属离子(Pb2+、Co2+、Ni2+ 和 Cr(VI))。它在定量分析中表现出良好的线性和重现性。这种简单、高灵敏度的传感器阵列已成功应用于环境和血清样品中有毒金属离子的高通量分辨。
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引用次数: 0
Colorimetric and fluorescence detection of Pb2+ by fluorescein derivative 利用荧光素衍生物对 Pb2+ 进行比色和荧光检测。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-01 DOI: 10.1016/j.saa.2024.125373
Tanchanok Chaivisuthangkura , Natthara Boosamund , Nahathai Asawutmangkul , Thongchai Khammee , Benchawan Jityuti , Weena Siangproh
A simple and low cost method for rapid detection of Pb2+ was developed in this study using a simple fluorescent probe, biotin-4-fluorescein. The presence of Pb2+ induced the color change of fluorescein from yellow to pink which can be detected visually by naked eyes. The color change of biotin-4-fluorescein was not observed while testing with other metal ions, such as Fe3+, Cu2+, Ca2+, Co2+ and Cd2+, indicating the selectivity of fluorescein derivative with Pb2+. Moreover, the color change was observed at pH above 7.0, and the pink color got more intense when increasing pH. Adding EDTA, a chelating reagent, into the solution of biotin-4-fluorescein/Pb2+ resulted to the rebound of the color to the original color of free biotin-4-fluorescein. The fluorescence spectra of fluorescein decreased with increasing Pb2+concentration, and the quenching was enhanced at higher pH. The association constant (Ka) of 2.00 × 104 M−1 was calculated from the fluorescence spectra with the limit of detection (LOD) and the limit of quantitation (LOQ) of 1.38 × 10−5 M (2.86 ppm) and 4.61 × 10−5 M (9.55 ppm), respectively. Job’s plot analysis indicated 2:1 ratio of binding interaction. Pb2+ in untreated wastewater was quantified for 24.99 ppm using this method. This quick analysis can be beneficial for the application of lead detection in real sample solutions, such as wastewater from industrial factories.
本研究使用一种简单的荧光探针--生物素-4-荧光素,开发了一种简单、低成本的快速检测 Pb2+ 的方法。Pb2+ 的存在会导致荧光素的颜色从黄色变为粉红色,这可以通过肉眼直观地检测到。在与其他金属离子(如 Fe3+、Cu2+、Ca2+、Co2+ 和 Cd2+)一起测试时,未观察到生物素-4-荧光素的颜色变化,这表明荧光素衍生物对 Pb2+ 具有选择性。此外,pH 值高于 7.0 时颜色会发生变化,pH 值升高时粉红色更浓。在生物素-4-荧光素/Pb2+溶液中加入螯合试剂 EDTA 会使颜色恢复到游离生物素-4-荧光素的原色。荧光素的荧光光谱随 Pb2+浓度的增加而减弱,pH 值越高淬灭越强。根据荧光光谱计算出的关联常数(Ka)为 2.00 × 104 M-1,检出限(LOD)和定量限(LOQ)分别为 1.38 × 10-5 M(2.86 ppm)和 4.61 × 10-5 M(9.55 ppm)。约伯图分析表明结合相互作用的比例为 2:1。用这种方法对未经处理的废水中的 Pb2+ 进行了定量分析,结果为 24.99 ppm。这种快速分析有利于在实际样品溶液(如工业工厂废水)中进行铅检测。
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引用次数: 0
Modulating room temperature phosphorescence of acrylamide by stepwise rigidification for its detection in potato crisps 通过逐步硬化调节丙烯酰胺的室温磷光,以检测薯片中的丙烯酰胺。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-01 DOI: 10.1016/j.saa.2024.125372
Yuncai Gao , Yu-e Shi , Feiyang Cheng , Chao Huang , Zhenguang Wang
The selective detection of acrylamide (AA) is crucial, which is limited by the high background and interferences from food matrix. A room temperature phosphorescence (RTP) assay was developed through modulating its RTP by a stepwise rigidification strategy. The first step rigidification resulted in crosslinking of AA and denser of hydrogen bonding. This prompted the RTP efficiency from <0.1 to 3.8 % and emission lifetime of AA (from 3.0 μs to 0.29 s). Introducing boric acid resulted in the second step rigidification, triggered the formation of rigid matrix and chemical bonding. These synergistic effects prompted the photoluminescence quantum yield to 23.7 % and emission lifetime to 1.20 s. AA was quantitatively detected through monitoring the RTP intensity, with a limit of detection of 0.9 μg/mL. Benefiting from the delayed signal detection, background signal and the interferences from food matrices were eliminated, endowing the detection of AA in practical food samples.
丙烯酰胺(AA)的选择性检测至关重要,但这一检测受到高背景和食品基质干扰的限制。通过分步硬化策略调节室温磷光(RTP),开发出了一种室温磷光(RTP)检测方法。第一步刚性化导致 AA 交联,氢键更密集。这促使 RTP 效率从
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引用次数: 0
Revealing the intrinsic mechanism of the influence of different rings and oxidized structures on the room temperature phosphorescence 揭示不同环和氧化结构对室温磷光影响的内在机制。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-11-01 DOI: 10.1016/j.saa.2024.125366
Yurong Guo , Xuezhen Dong , Yingying Jing , Wenxiu Wu , Zhao Wang , Lei Yu , Duzheng Li , Xing Gao , Peng Li , Cuixia Yao , Guangjiu Zhao
In this work, we used density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods to study the mechanism of pure organic room temperature phosphorescence emission. The effects on the electronic structure and photochemical properties of thiophene and diketone derivatives with different cyclic and oxidized structures. The result suggests that varying ring configurations and oxidation products significantly influence the photochemical characteristics of thiophene and diketone derivatives. The complex experiences conformational distortion along with the oxidation product, which causes notable alterations in the energy gap and charge density of its frontier molecular orbitals. An oxidation process significantly distorts the molecular structure of the compound, leading to excited singlet and excited triplet states structural similarities. With energy gaps dropping from 0.22 eV to 0.05 eV and spin–orbit coupling constants rising from 0.42 cm−1 to 57.48 cm−1, the excited singlet and excited triplet states share structures and charge distributions that increase the energy level channels appropriate for intersystem crossing. Therefore, this work can provide theoretical support for the design and structural optimization of highly efficient pure organic phosphorescent materials.
在这项工作中,我们采用密度泛函理论(DFT)和时变密度泛函理论(TD-DFT)方法研究了纯有机物室温磷光发射的机理。不同环状结构和氧化结构的噻吩和二酮衍生物对电子结构和光化学性质的影响。结果表明,不同的环构型和氧化产物对噻吩和二酮衍生物的光化学特性有显著影响。随着氧化产物的出现,复合物的构象也发生了畸变,这导致其前沿分子轨道的能隙和电荷密度发生了显著变化。氧化过程极大地扭曲了化合物的分子结构,导致激发单线态和激发三线态结构相似。由于能隙从 0.22 eV 下降到 0.05 eV,自旋轨道耦合常数从 0.42 cm-1 上升到 57.48 cm-1,激发的单重态和激发的三重态具有相同的结构和电荷分布,从而增加了适合系统间交叉的能级通道。因此,这项工作可为高效纯有机磷光材料的设计和结构优化提供理论支持。
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引用次数: 0
Hydrazide chemosensor detects fluoride ions cooperatively for binding fluoride and potassium ions 肼类化学传感器检测氟离子,与氟离子和钾离子协同结合
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-10-30 DOI: 10.1016/j.saa.2024.125356
Natan de Moura Uchiyama, Norberto S. Gonçalves, Izilda A. Bagatin
Chemosensors to detect ions have been increasingly studied to distinguish hazardous and economic species, and detecting and recuperating ions is crucial. Searching for a low-cost technique and better chemosensors, our group presents exciting results, using the UV–Vis technique to evidence the effective interaction between the ligand (1) and the anions F, Ac, and CrO42, as well as the NMR titration. Low LOD for these ions (3.0 × 10–7–6.3 × 10−8 mol dm−3) showed a high affinity for all the anions. A curious cooperative binding of fluoride and potassium to the ligand was observed for the first time, giving a high sensibility for ligand 1. Due to the high affinity of the ligand for these anionic species, binding strength, and low interference, the excellent applicability of the sensor’s potential for environmental problems becomes evident.
为了区分危险和经济物种,人们越来越多地研究检测离子的化学传感器,而检测和回收离子至关重要。为了寻求一种低成本技术和更好的化学传感器,我们的研究小组利用紫外可见光技术证明了配体(1)与阴离子 F-、Ac- 和 CrO42- 之间的有效相互作用,并利用核磁共振滴定法取得了令人振奋的成果。这些离子的低 LOD 值(3.0 × 10-7-6.3 × 10-8 mol dm-3)显示了对所有阴离子的高亲和力。由于配体对这些阴离子的高亲和力、结合强度和低干扰,该传感器在解决环境问题方面的巨大应用潜力显而易见。
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引用次数: 0
An improved deep convolutional generative adversarial network for quantification of catechins in fermented black tea 用于发酵红茶中儿茶素定量的改进型深度卷积生成对抗网络。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-10-30 DOI: 10.1016/j.saa.2024.125357
Fengle Zhu , Yuqian Zhang , Jian Wang , Xiangdong Luo , Dengtao Liu , Kaicheng Jin , Jiyu Peng
The rapid and non-destructive quantification of catechins in fermented black tea is crucial for evaluating the quality of black tea. The combination of hyperspectral imaging and chemometrics has been applied for quantitative detection, but its performance is usually constrained by the limited dataset size. Targeted at the challenge of insufficient samples in regression analysis of catechins, this study proposes an improved deep convolutional generative adversarial network with labeling module, named as DCGAN-L for hyperspectral data augmentation. The DCGAN-L consists of the spectral and label generating modules. First the synthetic spectra were generated, and an indicator was proposed to evaluate their quality. Then, the corresponding label values were generated, including epicatechin gallate (ECG), epicatechin (EGC), catechin (C), and total catechin (CC). For label generating, the Euclidean distances between the synthetic spectrum and all true spectra were measured, followed by allocating weights for calculating the label values based on these distances. Subsequently, the training dataset was augmented with the generated synthetic data. The effect of data augmentation was finally evaluated based on two regression models of random forest (RF) and broad learning system (BLS) for the quantification of catechins. Compared with the results before data augmentation, the average R2 of RF and BLS models increased by 0.044 and 0.164, respectively. The proposed DCGAN-L model allows for the rapid, non-destructive quantification of catechins in black tea in the case of limited sample size.
快速、无损地量化发酵红茶中的儿茶素对评价红茶质量至关重要。高光谱成像与化学计量学的结合已被应用于定量检测,但其性能通常受限于有限的数据集规模。针对儿茶素回归分析中样本不足的难题,本研究提出了一种带有标记模块的改进型深度卷积生成对抗网络,命名为 DCGAN-L,用于高光谱数据增强。DCGAN-L 由光谱生成模块和标签生成模块组成。首先生成合成光谱,并提出评估其质量的指标。然后,生成相应的标签值,包括表儿茶素没食子酸酯(ECG)、表儿茶素(EGC)、儿茶素(C)和总儿茶素(CC)。在生成标签时,首先测量合成光谱与所有真实光谱之间的欧氏距离,然后根据这些距离分配权重以计算标签值。随后,用生成的合成数据扩充训练数据集。最后,根据随机森林(RF)和广义学习系统(BLS)两种回归模型,评估了数据扩增对儿茶素定量的影响。与数据增强前的结果相比,RF 和 BLS 模型的平均 R2 分别增加了 0.044 和 0.164。所提出的 DCGAN-L 模型可以在样本量有限的情况下快速、无损地定量红茶中的儿茶素。
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引用次数: 0
Acriflavine-modified UIO-66 ratiometric fluorescent sensor for highly selective and fast detection of hypochlorite in water 乙酰三黄素修饰的 UIO-66 比率荧光传感器,用于高选择性和快速检测水中的次氯酸盐。
IF 4.3 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-10-29 DOI: 10.1016/j.saa.2024.125333
Shili Qin , Yu Gao , Ming Zhao , Ying Wang , Minghui Zhai , Mo Chen , Xidi Xu , Chunqi Hu , Jinxin Lei , Hongtao Chu , Lidi Gao , Fenglong Jin
Hypochlorite (ClO) as a kind of highly toxic pollutant has garnered significant interest in detection methods, highlighting the pressing need to develop intelligent functional materials for the qualitative and quantitative analysis of ClO in aqueous solutions. Herein, a ratiometric fluorescent sensor was prepared by the combination of acriflavine (Acr) and UIO-66 via a post-synthetic modification strategy. Acr/UIO-66 exhibited both high crystallinity typical of metal–organic frameworks and demonstrated good fluorescent and thermal stability. Additionally, Acr/UIO-66 functioned effectively as a dual-responsive fluorescent platform for detecting ClO in domestic drinking and surface water samples. This material displayed high sensitivity, exceptional selectivity, and superior anti-interference capabilities, along with fast respond time (60 s), a wide pH range (4.0–7.0), high recoveries (94.46–118.00 %), a broad linear range (0–28 µmol L−1) and low detection limits (0.74 µmol L−1). This study broadened the potential applications of fluorescent metal–organic frameworks and presented a feasible solution for water quality monitoring.
次氯酸盐(ClO-)作为一种剧毒污染物,其检测方法备受关注,因此迫切需要开发出用于定性和定量分析水溶液中 ClO-的智能功能材料。本文通过后合成修饰策略,将吖啶黄(Acr)和 UIO-66 结合在一起,制备了一种比率计荧光传感器。Acr/UIO-66 既具有金属有机框架典型的高结晶性,又表现出良好的荧光和热稳定性。此外,Acr/UIO-66 还能有效地作为双响应荧光平台,用于检测家用饮用水和地表水样本中的 ClO-。该材料具有灵敏度高、选择性强、抗干扰能力强、响应时间快(60 秒)、pH 值范围宽(4.0-7.0)、回收率高(94.46-118.00%)、线性范围宽(0-28 µmol L-1)和检测限低(0.74 µmol L-1)等特点。这项研究拓宽了荧光金属有机框架的潜在应用领域,为水质监测提供了一种可行的解决方案。
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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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