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

{"title":"A purine fluorescent derived probe assay for glyphosate and mesotrione via Schiff base cleavage","authors":"","doi":"10.1016/j.saa.2024.125254","DOIUrl":"10.1016/j.saa.2024.125254","url":null,"abstract":"<div><div>A fluorescent probe derived from purine with Schiff base moiety was developed for the recognization of glyphosate and mesotrione. The detected glyphosate and mesotrione can lead to the dissociation of the Schiff base probe to enhance the fluorescence <em>via</em> a turn-off PET process. Mechanism study revealed that the synergistic effect of the phosphoric acid and the secondary amine moieties in glyphosate results in the bond cleavage of the Schiff base probe. Quantitative measurements of glyphosate and mesotrione were achieved with the detection limits of 17.2 nM and 484.32 nM, respectively. Meanwhile, the detection of glyphosate pesticide in real samples and cells was also conducted, demonstrating the good practicality and cytocompatibility of the probe.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142402532","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}

{"title":"New phase transition of p-cresol studied by DSC analysis and FT-IR spectroscopy","authors":"","doi":"10.1016/j.saa.2024.125252","DOIUrl":"10.1016/j.saa.2024.125252","url":null,"abstract":"<div><div>We have investigated polymorphism in <em>p</em>-cresol using the FT-IR spectroscopy and differential scanning calorimetry. The present results show that in addition to the well-known two crystalline phases of <em>p</em>-cresol, which melts at 307.6 and 309.2 K, we discovered the existence of a new crystalline phase, which melts at 302.9 K. For the first time we have received the FT-IR spectra of three polymorphs and their temperature dependencies in the region 300–12 K. Comparison between the FT-IR spectra of three polymorphs shows that they are completely different.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142402537","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}

{"title":"A fluorescent nanocomposite probe of quantum dots and zinc oxide embedded in polymer for smartphone-assisted on-site determination of diflunisal","authors":"","doi":"10.1016/j.saa.2024.125243","DOIUrl":"10.1016/j.saa.2024.125243","url":null,"abstract":"<div><div>A fluorescent sensor based on nitrogen-doped graphene quantum dots (N-GQDs) was developed for the smartphone-assisted colorimetric determination of diflunisal. The fluorescence source was embedded with zinc oxide (ZnO) in a molecularly imprinted polymer (ZnO@N-GQDs@MIP). The quantitative analysis was based on the fluorescence quenching caused by electron transfer from the nanoprobe to diflunisal. The sensor demonstrated linearity in the range of 0.10–50.0 μg L⁻¹ with a limit of detection of 0.03 μg L⁻¹. Smartphone-assisted on-site determination produced linearity in the range of 1.0–50.0 µg/L with a limit of detection of 0.30 μg L⁻¹. The developed sensor was applied to determine diflunisal in milk, egg and yogurt samples. Recoveries ranging from 94.8 to 103.7 % were achieved with a RSD below 2.0 % measured by fluorescence spectroscopy, and from 94.9 to 106.9 % with a RSD of &lt;6 % smatphone-assisted measurement. Comparison of the detection outcomes of both methods with those of high-performance liquid chromatography revealed consistent results, demonstrating the accuracy of the developed method, which was also sensitive, selective, and fast. Notably, the portable and easy-to-read smartphone-assisted method is suitable for on-site application.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142402529","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}

{"title":"A highly selective and recyclable fluorescent sensor based on a Salamo-Salen-Salamo type ligand for continuous detection of Al3+ and phosphates in drug","authors":"","doi":"10.1016/j.saa.2024.125256","DOIUrl":"10.1016/j.saa.2024.125256","url":null,"abstract":"<div><div>In this work, a fluorescence chemical sensor continuous detection Al³⁺ and phosphates by a Salamo-Salen-Salamo type compound (<strong>SL</strong>) was employed. The sensor continuously recognized Al³⁺ and phosphates with good selectivity and fast response time, and a low limit of detection of 0.25 μΜ and 0.96 μM, at the same time accompanied by a naked-eye identification specificity. The detection mechanism of <strong>SL</strong> towards Al³⁺ is due to the chelating fluorescence enhancement effect and ICT effect, and continuously towards phosphates is due to the collapse of the <strong>SL-Al³⁺</strong> and coordination interaction between Al³⁺ and phosphates, by Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy, other spectral characterization and DFT calculation as evidence. In addition, the sensor had good recyclability and reusability. The distribution of Al³⁺ and phosphates in zebrafish cells was effectively monitored by confocal microscopy based on the good biocompatibility and tissue permeability of <strong>SL</strong>. Furthermore, the feasibility of using sensor <strong>SL</strong> to detect the content of Al³⁺ and phosphate ions in certain drugs was quantitatively analyzed through experiments. It was found <strong>SL</strong> had a good result in practical application.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142402530","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}

{"title":"Efficient smart-phone luminescent sensing detection based on new multifunctional Cd(II) luminescent coordination polymers","authors":"","doi":"10.1016/j.saa.2024.125248","DOIUrl":"10.1016/j.saa.2024.125248","url":null,"abstract":"<div><div>Based on the mixed ligand strategy, two new isostructural Cd^II coordination polymers: {[Cd₃(tcpa)₂(bima)(DMF)]‧3DMF} (CP <strong>1</strong>), {[Cd₃(tcpa)₂(bmima)(DMF)]‧3DMF} (CP <strong>2</strong>) were synthesized by combining two flexible anthracene-based and a triphenylamine-based ligands with large π-electron-rich structure using a solvothermal method (H₃tcpa = tris(4-carboxyphenyl)amine; bima = 9,10-bis(1<em>H</em>-imidazole-1-yl)methyl)anthracene and bmima = 9,10-bis((2-methyl-1<em>H</em>-imidazol-1-yl)methyl)anthracene). CP <strong>1</strong> and CP <strong>2</strong> show an unreported new 3D (3,14)-c net structure with the {4³⁰·6⁴⁸·8¹³}{4³}₄ topology. Both CPs could detect Cr₂O₇²⁻, Nitroaromatic explosives 2,4,6-Trinitrophenol (TNP) and 2,4-dinitrophenol (DNP) through rapid fluorescence quenching response with high quenching efficiency <em>K</em>sv and low LOD with 0.19 μM (Cr₂O₇²⁻), 0.54 μM (TNP), 0.76 μM (DNP) for CP <strong>1</strong> and 0.28 μM (Cr₂O₇²⁻), 0.23 μM (TNP), 0.65 μM (DNP) for CP <strong>2</strong>, respectively. In addition, the mechanism of quenching Cr₂O₇²⁻, TNP and DNP by CPs is proposed through experimental research and theoretical simulation. The quenching of Cr₂O₇²⁻ by CPs is mainly competitive absorption (CA), while the quenching of TNP/DNP is achieved through the coexistence of competitive absorption CA, photo induced electron transfer (PET) and fluorescence resonance energy transfer (FRET). Moreover, we have been developed a portable smartphone-assisted on-site detection platform, which can perform semi-quantitative analysis of Cr₂O₇²⁻ acconding to fluorescence color changes. This work constructed a ratiometric sensing platform for quickly and conveniently detection of Cr₂O₇²⁻, TNP and DNP pollutants.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142419177","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}

{"title":"Room-temperature phosphorescence and aggregation behavior in chiral heavy-atom-free organic molecules","authors":"","doi":"10.1016/j.saa.2024.125247","DOIUrl":"10.1016/j.saa.2024.125247","url":null,"abstract":"<div><div>Purely organic room temperature phosphorescence materials (RTP) have attracted much attention recently, but most of them are substituted with heavy atoms to enhance the intersystem crossing (ISC), which requires complicated design and synthesis. Herein, we report four chiral heavy-atom-free small molecules which integrate properties of aggregation and long-lifetime room temperature phosphorescence. The phosphorescence lifetime of synthesized chiral molecules is measured to be 150 ms, and the phosphorescence quantum yield reaches 15 % at room temperature. The twisted chiral conformation of four molecules not only affect aggregation photoluminescence properties but also can synergistically stabilize triplet exciton in the triplet excited states for excellent ISC efficiency. This strategy enriches the application fields of chiral aggregated long-lifetime room temperature phosphorescent materials.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142402539","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}

{"title":"A highly sensitive fluorescent sensor for reversible visual detection of fluoride ion and trace water in food products","authors":"","doi":"10.1016/j.saa.2024.125245","DOIUrl":"10.1016/j.saa.2024.125245","url":null,"abstract":"<div><div>A simple diphenylimidazole-based fluorescent sensor (<strong>DIP</strong>) had been designed for reversible fluorescence sensing of F⁻ and trace water. The sensor showed superior selectivity for F⁻ compared to other anions with fluorescence “turn on” mode. After adding F⁻ to CH₃CN solution of <strong>DIP</strong>, the emission color of <strong>DIP</strong> changed markedly from weak blue to strong cyan, which could be facilely discerned by the naked eye. The various technical analysis, including spectroscopies, ¹H NMR titration and DFT calculation, indicated that the deprotonation of imidazole –NH and –OH occurred in the presence of F⁻. The detection limit of <strong>DIP</strong> toward F⁻ could reach as low as 72.3 nM. Moreover, F⁻-induced deprotonation of <strong>DIP</strong>-F⁻ system exhibited high sensitivity for water with the detection limit of 0.0015 vol%. The reversible switching characteristic of <strong>DIP</strong> prompted it suitable for the construction of molecular logic gate. In addition, <strong>DIP</strong> and <strong>DIP</strong>-F⁻ were successfully applied to the determination of F⁻ content in toothpaste and water content in table salt, sugar and tea, respectively. Moreover, <strong>DIP</strong> and <strong>DIP</strong>-F⁻-coated filter paper strips could be used as fluorescent display materials for inkless writing with repeatability.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142402531","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}

{"title":"Non-destructive visual detection of fresh food spoilage","authors":"","doi":"10.1016/j.saa.2024.125255","DOIUrl":"10.1016/j.saa.2024.125255","url":null,"abstract":"<div><div>Two coumarin derivatives <strong>SWJT-33</strong> and <strong>SWJT-34</strong> were synthesized as probes for the detection of cadaverine (Cad). Among them, <strong>SWJT-34</strong> exhibits high selectivity and low detection limits for Cad using fluorescence or UV–vis spectrum. The detection limits for Cad were calculated to be 0.018 μM by fluorescence spectrum and 0.34 μM by UV–vis spectrum, which was much lower than those of most of reported probes. The probe could realize colorimetric and ratiometric detection of Cad because an aza-Michael addition reaction occurred between <strong>SWJT-34</strong> and Cad to form the Schiff base compound as a product. In addition, <strong>SWJT-34</strong> could be fabricated as portable test strips for the selective detection of Cad in vapor, and the corresponding detection limits were calculated to be 1.88 ppm in the fluorescent mode and 57 ppm in UV–vis mode, respectively. Additionally, these test strips could be used to test the freshness of Rottweiler shrimp and pork at different temperatures.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434030","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}

{"title":"Green synthesis of thiazole bis-imines as fluorometric sensor for determination of lead in environmental, biological, and food samples","authors":"","doi":"10.1016/j.saa.2024.125250","DOIUrl":"10.1016/j.saa.2024.125250","url":null,"abstract":"<div><div>In this work, we describe for the first time the synthesis of a thiazole <em>bis</em>-imine fluorometric sensor for the selective determination of Pb²⁺ in environmental, biological, and food samples. The novel molecules were obtained through a multicomponent reaction using a green and environmentally sustainable methodology. Synthesized chemical sensors were characterized using spectroscopic techniques to structural elucidation, including UV–Vis, FTIR-ATR, ¹H and ¹³C NMR. One of these sensors exhibited remarkable selectivity for the Pb²⁺ ion at pH 3, forming a stable 1:1 (metal:ligand) complex. Additionally, the reaction conditions for complex formation were optimized, resulting in a method with a linear range of 0.667–10  μg L⁻¹ and a detection limit of 0.18  μg L⁻¹. Furthermore, method validation reinforced its reliability, showing low relative standard deviation in both intra-day and inter-day analyses. Recovery experiments ranged from 83.53 % to 119.10 %. This study represents a significant and innovative advancement in the development of rapid, sensitive, and alternative methods for the detection of potentially toxic metals in a wide range of samples employing a green multicomponent reaction of thiazole <em>bis</em>-imines.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142407352","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}

{"title":"Enhanced cancer classification and critical feature visualization using Raman spectroscopy and convolutional neural networks","authors":"","doi":"10.1016/j.saa.2024.125242","DOIUrl":"10.1016/j.saa.2024.125242","url":null,"abstract":"<div><div>Cell misuse and cross-contamination pose a significant threat to the accuracy of cell research outcomes, often leading to the wasteful expenditure of time, manpower, and material resources. Consequently, the accurate identification of cell lines is paramount. However, traditional identification methods, which often involve staining and culturing procedures, are not only time-consuming but also laborious. This underscores the need for a novel approach that enables rapid and automated cell line identification, thereby enhancing research efficiency and accuracy. Raman spectroscopy, renowned for its label-free, rapid, and noninvasive nature, offers invaluable molecular insights into samples, making it a widely utilized technique in the biological field. In this study, the identification of one normal and five cancer cell lines was achieved using a sparrow search algorithm-convolutional neural networks (SSA-CNN), considering both the full spectra and fingerprint region perspectives. The SSA-CNN model demonstrated exceptional performance, not just in binary classification, but also in accurately distinguishing among six cell lines. It achieved the highest accuracy (around 95 %), and the lowest standard error (≤3%), for both the full spectra and fingerprint region. Based on the highly accurate SSA-CNN model, proposed the application of gradient-weighted class activation mapping (Grad-CAM) to visualize the Raman feature peaks. Upon comparing the visualized Raman features with reported biomarkers, found that not only were common biomolecules such as glucose, proteins, and liquids visualized, but specific feature peaks also aligned with reported biomarkers. The aforementioned results clearly demonstrated that the proposed strategy not only classifies cancer cell lines with remarkable accuracy but also served as a valuable tool for the discovery of novel biomarkers.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142515640","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}