Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献

筛选
英文 中文
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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"Examining the inhibitory potency of metal polyphenolic network–coated silver nanoparticles against amyloid fibrillogenesis of lysozyme","authors":"Yu-Hsuan Kung ,&nbsp;Chia-Yu Chang ,&nbsp;You-Ren Lai ,&nbsp;Jia-Xun Li ,&nbsp;Su-Chun How","doi":"10.1016/j.saa.2024.125375","DOIUrl":"10.1016/j.saa.2024.125375","url":null,"abstract":"<div><div>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 <em>in vitro</em> 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125375"},"PeriodicalIF":4.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"Green spectrophotometric approaches applied to tertiary mixture for management of common cold and COVID-19 symptoms","authors":"Rabab M. Soliman ,&nbsp;Nadia M. Mostafa ,&nbsp;Yasmin M. Fayez ,&nbsp;Hany H. Monir ,&nbsp;Yasmin Rostom","doi":"10.1016/j.saa.2024.125381","DOIUrl":"10.1016/j.saa.2024.125381","url":null,"abstract":"<div><div>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 <em>t</em>-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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125381"},"PeriodicalIF":4.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"Mitochondria/lysosome dual-organelle labelling esterase probe for monitoring cell viability and evaluating lung cancer drug efficiency","authors":"Mengye He,&nbsp;Jing Wang,&nbsp;Liping Wang,&nbsp;Bangping Hu,&nbsp;Xing-Can Shen,&nbsp;Hua Chen","doi":"10.1016/j.saa.2024.125379","DOIUrl":"10.1016/j.saa.2024.125379","url":null,"abstract":"<div><div>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 <strong>TMLE-2</strong>, for dual-channel monitoring of cell viability and evaluation of lung cancer drug efficiency. <strong>TMLE-2</strong> showed dramatic ratio fluorescence changes (about 51-fold) upon reacting with esterase. Furthermore, <strong>TMLE-2</strong> enabled visualization of mitochondria and lysosomes with red and green emission, respectively; moreover, H<sub>2</sub>O<sub>2</sub>-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, <strong>TMLE-2</strong> 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 <strong>TMLE-2</strong> is expected to have enormous potential for facilitating advancements in biomedical fields related to cell viability.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125379"},"PeriodicalIF":4.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578101","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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 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
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-01 DOI: 10.1016/j.saa.2024.125364
Haiyan Cao , Wenfei Dong , Si Shi , Wenbing Shi
{"title":"A novel ratiometric fluorescent sensor array based on the copper clusters hydrogels coupling of DNA","authors":"Haiyan Cao ,&nbsp;Wenfei Dong ,&nbsp;Si Shi ,&nbsp;Wenbing Shi","doi":"10.1016/j.saa.2024.125364","DOIUrl":"10.1016/j.saa.2024.125364","url":null,"abstract":"<div><div>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 (Pb<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125364"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"Colorimetric and fluorescence detection of Pb2+ by fluorescein derivative","authors":"Tanchanok Chaivisuthangkura ,&nbsp;Natthara Boosamund ,&nbsp;Nahathai Asawutmangkul ,&nbsp;Thongchai Khammee ,&nbsp;Benchawan Jityuti ,&nbsp;Weena Siangproh","doi":"10.1016/j.saa.2024.125373","DOIUrl":"10.1016/j.saa.2024.125373","url":null,"abstract":"<div><div>A simple and low cost method for rapid detection of Pb<sup>2+</sup> was developed in this study using a simple fluorescent probe, biotin-4-fluorescein. The presence of Pb<sup>2+</sup> 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 Fe<sup>3+</sup>, Cu<sup>2+</sup>, Ca<sup>2+</sup>, Co<sup>2+</sup> and Cd<sup>2+</sup>, indicating the selectivity of fluorescein derivative with Pb<sup>2+</sup>. 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/Pb<sup>2+</sup> resulted to the rebound of the color to the original color of free biotin-4-fluorescein. The fluorescence spectra of fluorescein decreased with increasing Pb<sup>2+</sup>concentration, and the quenching was enhanced at higher pH. The association constant (K<sub>a</sub>) of 2.00 × 10<sup>4</sup> M<sup>−1</sup> was calculated from the fluorescence spectra with the limit of detection (LOD) and the limit of quantitation (LOQ) of 1.38 × 10<sup>−5</sup> M (2.86 ppm) and 4.61 × 10<sup>−5</sup> M (9.55 ppm), respectively. Job’s plot analysis indicated 2:1 ratio of binding interaction. Pb<sup>2+</sup> 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125373"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-01 DOI: 10.1016/j.saa.2024.125372
Yuncai Gao , Yu-e Shi , Feiyang Cheng , Chao Huang , Zhenguang Wang
{"title":"Modulating room temperature phosphorescence of acrylamide by stepwise rigidification for its detection in potato crisps","authors":"Yuncai Gao ,&nbsp;Yu-e Shi ,&nbsp;Feiyang Cheng ,&nbsp;Chao Huang ,&nbsp;Zhenguang Wang","doi":"10.1016/j.saa.2024.125372","DOIUrl":"10.1016/j.saa.2024.125372","url":null,"abstract":"<div><div>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 &lt;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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125372"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142607856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"Revealing the intrinsic mechanism of the influence of different rings and oxidized structures on the room temperature phosphorescence","authors":"Yurong Guo ,&nbsp;Xuezhen Dong ,&nbsp;Yingying Jing ,&nbsp;Wenxiu Wu ,&nbsp;Zhao Wang ,&nbsp;Lei Yu ,&nbsp;Duzheng Li ,&nbsp;Xing Gao ,&nbsp;Peng Li ,&nbsp;Cuixia Yao ,&nbsp;Guangjiu Zhao","doi":"10.1016/j.saa.2024.125366","DOIUrl":"10.1016/j.saa.2024.125366","url":null,"abstract":"<div><div>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<sup>−1</sup> to 57.48 cm<sup>−1</sup>, 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125366"},"PeriodicalIF":4.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142592371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-10-30 DOI: 10.1016/j.saa.2024.125356
Natan de Moura Uchiyama, Norberto S. Gonçalves, Izilda A. Bagatin
{"title":"Hydrazide chemosensor detects fluoride ions cooperatively for binding fluoride and potassium ions","authors":"Natan de Moura Uchiyama,&nbsp;Norberto S. Gonçalves,&nbsp;Izilda A. Bagatin","doi":"10.1016/j.saa.2024.125356","DOIUrl":"10.1016/j.saa.2024.125356","url":null,"abstract":"<div><div>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<sup>−</sup>, Ac<sup>−</sup>, and CrO<sub>4</sub><sup>2</sup><sup>−</sup>, as well as the NMR titration. Low LOD for these ions (3.0 × 10<sup>–7</sup>–6.3 × 10<sup>−8</sup> mol<!--> <!-->dm<sup>−3</sup><strong>)</strong> 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125356"},"PeriodicalIF":4.3,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142586808","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"An improved deep convolutional generative adversarial network for quantification of catechins in fermented black tea","authors":"Fengle Zhu ,&nbsp;Yuqian Zhang ,&nbsp;Jian Wang ,&nbsp;Xiangdong Luo ,&nbsp;Dengtao Liu ,&nbsp;Kaicheng Jin ,&nbsp;Jiyu Peng","doi":"10.1016/j.saa.2024.125357","DOIUrl":"10.1016/j.saa.2024.125357","url":null,"abstract":"<div><div>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 <em>R<sup>2</sup></em> 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125357"},"PeriodicalIF":4.3,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635378","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
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
Spectrochimica Acta Part A: Molecular and Biomolecular 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
{"title":"Acriflavine-modified UIO-66 ratiometric fluorescent sensor for highly selective and fast detection of hypochlorite in water","authors":"Shili Qin ,&nbsp;Yu Gao ,&nbsp;Ming Zhao ,&nbsp;Ying Wang ,&nbsp;Minghui Zhai ,&nbsp;Mo Chen ,&nbsp;Xidi Xu ,&nbsp;Chunqi Hu ,&nbsp;Jinxin Lei ,&nbsp;Hongtao Chu ,&nbsp;Lidi Gao ,&nbsp;Fenglong Jin","doi":"10.1016/j.saa.2024.125333","DOIUrl":"10.1016/j.saa.2024.125333","url":null,"abstract":"<div><div>Hypochlorite (ClO<sup>−</sup>) 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<sup>−</sup> 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<sup>−</sup> 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<sup>−1</sup>) and low detection limits (0.74 µmol L<sup>−1</sup>). This study broadened the potential applications of fluorescent metal–organic frameworks and presented a feasible solution for water quality monitoring.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125333"},"PeriodicalIF":4.3,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142570819","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
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
确定
请完成安全验证×
相关产品
×
本文献相关产品
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信