Pub Date : 2024-11-13DOI: 10.1016/j.saa.2024.125416
Pengkun Yin , Zhengying Peng , Qihui Wang , Yixiang Duan , Bin Hu , Qingyu Lin
Various surface-enhanced Raman scattering (SERS) biosensors offer powerful tools for the ultrasensitive detection of circulating tumor cells (CTCs) and tumor diagnosis. Despite their efficacy, the swift and precise preparation of SERS plasmonic nanostructures poses an ongoing challenge. In this study, we introduce DNA-assisted plasmonic nanostructures capable of producing dual signals and facilitating DNA Walker signal amplification, resulting in the development of a SERS/Fluorescent (FL) dual-mode cytosensor for CTCs detection. Firstly, Au@Ag nanoparticle multimers (Au@AgNMs) featuring interparticle nano-gaps were synthesized through DNA self-assembly and in-situ deposition, which provided plasmonic nanostructures. Hence, the nano-gap distance among Au@AgNMs was meticulously regulated after optimization to achieve both SERS enhancement and fluorescence quenching. Subsequently, the aptamer (Apt) of MUC1 recognized CTCs specifically for strand displacement reaction (SDR) and further triggered the DNA Walker reaction for signal amplification. The limit of detection (LOD) of proposed cytosensor can be obtained as low as 5 cells/mL in SERS mode and 21 cells/mL in FL mode. Hence, SERS mode confers highly precise information, while FL mode allow for rapid quantitative analysis. This dual-mode cytosensor based on plasmonic nanostructures facilitates the early detection and precise treatment of cancer or infectious diseases.
{"title":"A rapid dual-mode SERS/FL cytosensor assisted via DNA Walker-based plasmonic nanostructures","authors":"Pengkun Yin , Zhengying Peng , Qihui Wang , Yixiang Duan , Bin Hu , Qingyu Lin","doi":"10.1016/j.saa.2024.125416","DOIUrl":"10.1016/j.saa.2024.125416","url":null,"abstract":"<div><div>Various surface-enhanced Raman scattering (SERS) biosensors offer powerful tools for the ultrasensitive detection of circulating tumor cells (CTCs) and tumor diagnosis. Despite their efficacy, the swift and precise preparation of SERS plasmonic nanostructures poses an ongoing challenge. In this study, we introduce DNA-assisted plasmonic nanostructures capable of producing dual signals and facilitating DNA Walker signal amplification, resulting in the development of a SERS/Fluorescent (FL) dual-mode cytosensor for CTCs detection. Firstly, Au@Ag nanoparticle multimers (Au@AgNMs) featuring interparticle nano-gaps were synthesized through DNA self-assembly and <em>in-situ</em> deposition, which provided plasmonic nanostructures. Hence, the nano-gap distance among Au@AgNMs was meticulously regulated after optimization to achieve both SERS enhancement and fluorescence quenching. Subsequently, the aptamer (Apt) of MUC1 recognized CTCs specifically for strand displacement reaction (SDR) and further triggered the DNA Walker reaction for signal amplification. The limit of detection (LOD) of proposed cytosensor can be obtained as low as 5 cells/mL in SERS mode and 21 cells/mL in FL mode. Hence, SERS mode confers highly precise information, while FL mode allow for rapid quantitative analysis. This dual-mode cytosensor based on plasmonic nanostructures facilitates the early detection and precise treatment of cancer or infectious diseases.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125416"},"PeriodicalIF":4.3,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142650046","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}
Pub Date : 2024-11-13DOI: 10.1016/j.saa.2024.125441
Xiaozong Dou , Weiqi Liu , Yuhui Luo , Li Zhang , Jia Luo , Chenfeng Wu , Tiejun Huang , Xingling Pu
This study synthesized a 4,4-difluoro-2,6-di (1-octyl, 5-esteryluridine)-8-(3,4,5-tri (ethanoxy) phenyl) fluoroboron dipyrrole (BODIPY-A) near-infrared fluorescent probe based on 4,4-difluoro-2,6-diiodio-8-(3,4,5-tri (ethanoxy) phenyl) fluoroboron dipyrrole and 1-octanyl, 5-carboxyuracil. The emission wavelength of BODIPY-A probe is 672 nm, located in the near-infrared region, and it possesses benefits such as deep tissue penetration, low background self-fluorescence, and minimal light damage. The BODIPY-A probe exhibits a good turn-on fluorescence response to Cys through nucleophilic substitution reaction with cysteine (Cys), and can eliminate interference from homocysteine (Hcy) and glutathione (GSH). The BODIPY-A probe has been applied to the detection of Cys, with a linear range and detection limit of 0–90 μM and 0.3 μM, respectively. The BODIPY-A probe was applied to analyze the serum samples, achieving an absolute recovery rate ranging from 95 %-99 % and a relative standard deviation (RSD) of 0.031 %-0.371 %. Research has shown that the BODIPY-A probe has the hope to be used for sensitive detection of Cys in the human body.
{"title":"A BODIPY-based “turn on” near-infrared fluorescence probe for specific detection of cysteine","authors":"Xiaozong Dou , Weiqi Liu , Yuhui Luo , Li Zhang , Jia Luo , Chenfeng Wu , Tiejun Huang , Xingling Pu","doi":"10.1016/j.saa.2024.125441","DOIUrl":"10.1016/j.saa.2024.125441","url":null,"abstract":"<div><div>This study synthesized a 4,4-difluoro-2,6-di (1-octyl, 5-esteryluridine)-8-(3,4,5-tri (ethanoxy) phenyl) fluoroboron dipyrrole (BODIPY-A) near-infrared fluorescent probe based on 4,4-difluoro-2,6-diiodio-8-(3,4,5-tri (ethanoxy) phenyl) fluoroboron dipyrrole and 1-octanyl, 5-carboxyuracil. The emission wavelength of BODIPY-A probe is 672 nm, located in the near-infrared region, and it possesses benefits such as deep tissue penetration, low background self-fluorescence, and minimal light damage. The BODIPY-A probe exhibits a good turn-on fluorescence response to Cys through nucleophilic substitution reaction with cysteine (Cys), and can eliminate interference from homocysteine (Hcy) and glutathione (GSH). The BODIPY-A probe has been applied to the detection of Cys, with a linear range and detection limit of 0–90 μM and 0.3 μM, respectively. The BODIPY-A probe was applied to analyze the serum samples, achieving an absolute recovery rate ranging from 95 %-99 % and a relative standard deviation (RSD) of 0.031 %-0.371 %. Research has shown that the BODIPY-A probe has the hope to be used for sensitive detection of Cys in the human body.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125441"},"PeriodicalIF":4.3,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645351","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}
Pub Date : 2024-11-12DOI: 10.1016/j.saa.2024.125334
Pooja Gitty , Ayswaria Deepti , P. Prabeesh , A.S. Anjana , E.I. Anila , Kamal P. Mani , P.S. Baby Chakrapani , V.P.N. Nampoori , M. Kailasnath
This work reports the synthesis of hydroxyapatite (HAp) nanoparticles co-doped with trivalent terbium (Tb3+) and samarium (Sm3+) ions by a surfactant free chemical precipitation method. Co-doping enables to combine the optical properties of Tb3+ and Sm3+ ions. Characterization techniques like X-Ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, inductively coupled plasma-optical emission spectroscopy (ICP-OES), energy dispersive X-ray spectroscopy (EDX) were used to determine the crystalline and structural properties. These studies confirmed that the lanthanide ions Tb3+ and Sm3+ were successfully doped onto the HAp lattice. The photoluminescence emission spectra exhibited intense emissions from both the lanthanide ions. The Sm3+ photoluminescence spectra showed enhanced emission, indicating that energy is being transferred from the Tb3+ to Sm3+ ions. To examine the cell viability, N2a cells were subjected to the MTT cytotoxicity assay. As demonstrated by the cell imaging on N2a cells, the synthesised nanoparticles are ideal candidates for fluorescent labelling using lanthanide ions. Furthermore, the strong cytocompatibility of Tb3+/Sm3+ co-doped hydroxyapatite suggests that it is a promising nanoscale biomaterial.
{"title":"Luminescent Tb3+/Sm3+ co-doped hydroxyapatite nanoparticles as an imaging probe in N2a cells","authors":"Pooja Gitty , Ayswaria Deepti , P. Prabeesh , A.S. Anjana , E.I. Anila , Kamal P. Mani , P.S. Baby Chakrapani , V.P.N. Nampoori , M. Kailasnath","doi":"10.1016/j.saa.2024.125334","DOIUrl":"10.1016/j.saa.2024.125334","url":null,"abstract":"<div><div>This work reports the synthesis of hydroxyapatite (HAp) nanoparticles co-doped with trivalent terbium (Tb<sup>3+</sup>) and samarium (Sm<sup>3+</sup>) ions by a surfactant free chemical precipitation method. Co-doping enables to combine the optical properties of Tb<sup>3+</sup> and Sm<sup>3+</sup> ions. Characterization techniques like X-Ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, inductively coupled plasma-optical emission spectroscopy (ICP-OES), energy dispersive X-ray spectroscopy (EDX) were used to determine the crystalline and structural properties. These studies confirmed that the lanthanide ions Tb<sup>3+</sup> and Sm<sup>3+</sup> were successfully doped onto the HAp lattice. The photoluminescence emission spectra exhibited intense emissions from both the lanthanide ions. The Sm<sup>3+</sup> photoluminescence spectra showed enhanced emission,<!--> <!-->indicating that energy is being transferred from the Tb<sup>3+</sup> to Sm<sup>3+</sup> ions. To examine the cell viability, N2a cells<!--> <!-->were subjected to the MTT cytotoxicity assay. As demonstrated by the cell imaging on N2a cells, the synthesised nanoparticles are ideal candidates for fluorescent labelling using lanthanide ions. Furthermore, the<!--> <!-->strong cytocompatibility of Tb<sup>3+</sup>/Sm<sup>3+</sup> co-doped hydroxyapatite<!--> <!-->suggests that it is a promising nanoscale biomaterial.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125334"},"PeriodicalIF":4.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640520","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}
Pub Date : 2024-11-10DOI: 10.1016/j.saa.2024.125421
Guangmei Deng , Honggao Liu , Jieqing Li , Yuanzhong Wang
Boletus bainiugan has high nutritional and economic values. As one of the potential medicinal active ingredients, nucleosides have important research significance. Porcini mushrooms fraud is frequently detected on the market, including substitute inferior into superior and lack of geographical origin’s certification. This behavior results in economic loss and health damage to consumers. Fourier transform near-infrared (FT-NIR) spectroscopy is a fast, efficient and reliable analytical tool. In the present study, the effect of source environment (climatic factors) on nucleoside content is analyzed for the first time. Then, the FT-NIR spectroscopy to study the origin traceability and content prediction of Boletus bainiugan are utilized. The results indicate that the nucleoside content is associated with precipitation and temperature. The combination of synchronous two-dimensional correlation spectroscopy (2DCOS) with residual neural networks (ResNet) model obtains the precise identification of the origin of Boletus bainiugan, with an accuracy of 100%. In the prediction models of content for uridine, guanosine, and adenosine, the optimal coefficient of determination of predictive set (R2P) is 0.901, and the optimum residual prediction deviation (RPD) is 3.178. FT-NIR spectroscopy has proven to be an environmentally friendly and non-destructive analytical tool for accurate origin traceability and content prediction.
{"title":"Rapid prediction of nucleosides content and origin traceability of Boletus bainiugan using Fourier transform near-infrared spectroscopy combined with chemometrics","authors":"Guangmei Deng , Honggao Liu , Jieqing Li , Yuanzhong Wang","doi":"10.1016/j.saa.2024.125421","DOIUrl":"10.1016/j.saa.2024.125421","url":null,"abstract":"<div><div><em>Boletus bainiugan</em> has high nutritional and economic values. As one of the potential medicinal active ingredients, nucleosides have important research significance. Porcini mushrooms fraud is frequently detected on the market, including substitute inferior into superior and lack of geographical origin’s certification. This behavior results in economic loss and health damage to consumers. Fourier transform near-infrared (FT-NIR) spectroscopy is a fast, efficient and reliable analytical tool. In the present study, the effect of source environment (climatic factors) on nucleoside content is analyzed for the first time. Then, the FT-NIR spectroscopy to study the origin traceability and content prediction of <em>Boletus bainiugan</em> are utilized. The results indicate that the nucleoside content is associated with precipitation and temperature. The combination of synchronous two-dimensional correlation spectroscopy (2DCOS) with residual neural networks (ResNet) model obtains the precise identification of the origin of <em>Boletus bainiugan</em>, with an accuracy of 100%. In the prediction models of content for uridine, guanosine, and adenosine, the optimal coefficient of determination of predictive set (R<sup>2</sup><sub>P</sub>) is 0.901, and the optimum residual prediction deviation (RPD) is 3.178. FT-NIR spectroscopy has proven to be an environmentally friendly and non-destructive analytical tool for accurate origin traceability and content prediction.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125421"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635473","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}
Pub Date : 2024-11-10DOI: 10.1016/j.saa.2024.125430
Hai Yin , Qihang Yang , Fangyuan Huang , Hongjie Li , Hui Wang , Huadan Zheng , Furong Huang
There are many types of fish maw with significantly varying prices. The specific type directly affects its market value and medicinal efficacy. This paper proposes a fish maw type recognition method based on Wasserstein generative adversarial network combined with gradient penalty (WGAN-GP) and spectral fusion. By collecting Raman and near-infrared (NIR) spectral data of four types of fish maw (Beihai Male Fish Maw, Beihai Female Fish Maw, Yellow Croaker Fish Maw, and Red Mouth Croaker Fish Maw), we used WGAN-GP for data augmentation. The performance of three spectral fusion strategies (data layer, feature layer, and decision layer) was explored based on two one-dimensional convolutional neural network (1D-CNN) models. The results indicate that, after applying data augmentation and expanding the training set to 3,600 samples, the performances of the 1D-VGG (NIR), 1D-VGG (Raman), 1D-ResNet (NIR), and 1D-ResNet (Raman) models all reach optimal levels. The accuracies on the test set are improved by 15.48%, 13.10%, 1.19%, and 5.95%, respectively. Under different fusion strategies, the 1D-VGG (Raman)-1D-VGG (NIR) model at the feature layer and 1D-ResNet (Raman)(1.0)-1D-ResNet (NIR)(1.0) model at the decision layer achieved the same classification results. They exceeded other models in accuracy (98.21%), precision (98.27%), recall (98.21%), and F1-score (98.21%) on the test set. In summary, this study demonstrated the great potential of data enhancement and multimodal spectral data fusion in fish maw type identification, providing analytical tools for the development of fish maw detection equipment based on multimodal techniques.
{"title":"Multimodal fish maw type recognition based on Wasserstein generative adversarial network combined with gradient penalty and spectral fusion","authors":"Hai Yin , Qihang Yang , Fangyuan Huang , Hongjie Li , Hui Wang , Huadan Zheng , Furong Huang","doi":"10.1016/j.saa.2024.125430","DOIUrl":"10.1016/j.saa.2024.125430","url":null,"abstract":"<div><div>There are many types of fish maw with significantly varying prices. The specific type directly affects its market value and medicinal efficacy. This paper proposes a fish maw type recognition method based on Wasserstein generative adversarial network combined with gradient penalty (WGAN-GP) and spectral fusion. By collecting Raman and near-infrared (NIR) spectral data of four types of fish maw (Beihai Male Fish Maw, Beihai Female Fish Maw, Yellow Croaker Fish Maw, and Red Mouth Croaker Fish Maw), we used WGAN-GP for data augmentation. The performance of three spectral fusion strategies (data layer, feature layer, and decision layer) was explored based on two one-dimensional convolutional neural network (1D-CNN) models. The results indicate that, after applying data augmentation and expanding the training set to 3,600 samples, the performances of the 1D-VGG (NIR), 1D-VGG (Raman), 1D-ResNet (NIR), and 1D-ResNet (Raman) models all reach optimal levels. The accuracies on the test set are improved by 15.48%, 13.10%, 1.19%, and 5.95%, respectively. Under different fusion strategies, the 1D-VGG (Raman)-1D-VGG (NIR) model at the feature layer and 1D-ResNet (Raman)(1.0)-1D-ResNet (NIR)(1.0) model at the decision layer achieved the same classification results. They exceeded other models in accuracy (98.21%), precision (98.27%), recall (98.21%), and F1-score (98.21%) on the test set. In summary, this study demonstrated the great potential of data enhancement and multimodal spectral data fusion in fish maw type identification, providing analytical tools for the development of fish maw detection equipment based on multimodal techniques.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125430"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635460","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}
Pub Date : 2024-11-10DOI: 10.1016/j.saa.2024.125420
Mihajlo D. Radmilović , Vesna Lj. Ilić , Dušan D. Vučetić , Drenka I. Trivanović , Mihailo D. Rabasović , Aleksandar J. Krmpot , Ivana T. Drvenica
RBCs deformability plays a crucial role in maintaining proper blood flow and oxygen delivery throughout the body. Conventional ektacytometry fails to differentiate between variations in deformability of RBC subpopulations as the averaging measurement process obscures these differences. In this study, we introduced an approach that integrates label-free optics-based techniques (flow cytometry, phase-contrast, and two-photon excitation fluorescent microscopy) with ektacytometry to evaluate subpopulations that exhibit decreased RBCs deformability upon an in vitro oxidation using 0.5 mM TBHP, as a low-level oxidative agent.
We found that flow cytometry can easily detect rigidified and oxidized subpopulations based on FSC/SSC light distribution, as well as RBCs fluorescence intensity and peak area likely originating from hemoglobin photo and/or degradation products. Two-photon excitation fluorescence microscopy proved altered morphology and spatial location of fluorescence intensity signal near the membrane of oxidized RBCs, when compared to control RBCs, indicating a link with the reduced deformability. The proposed label-free optics-based methodology, which combines established techniques with more sophisticated microscopy, emerges as a promising tool for detecting mechano-biological changes in different RBC subpopulations induced by oxidative stress. The findings suggest potential applications in clinical practice for monitoring pathological conditions influenced by physical or environmental stress and as a quality control measure for stored RBCs.
红细胞的变形性在维持全身正常血流和氧气输送方面起着至关重要的作用。传统的电子计数法无法区分红细胞亚群变形能力的差异，因为平均测量过程会掩盖这些差异。在这项研究中，我们引入了一种方法，将无标记光学技术（流式细胞术、相位对比和双光子激发荧光显微镜）与电子血球计数法相结合，以评估在使用 0.5 mM TBHP（一种低水平氧化剂）进行体外氧化时表现出 RBC 变形能力下降的亚群。我们发现，根据 FSC/SSC 光分布以及可能来自血红蛋白光和/或降解产物的 RBC 荧光强度和峰面积，流式细胞仪可以轻松检测出僵化和氧化亚群。双光子激发荧光显微镜证明，与对照红细胞相比，氧化红细胞膜附近荧光强度信号的形态和空间位置发生了改变，这表明与红细胞变形能力降低有关。所提出的无标记光学方法结合了成熟的技术和更复杂的显微镜技术，是检测氧化应激诱导的不同红细胞亚群的机械生物变化的一种很有前途的工具。研究结果表明，该方法有望应用于临床实践，监测受物理或环境压力影响的病理状况，并作为储存红细胞的质量控制措施。
{"title":"Light on abnormal red blood cell subpopulations: Label-free optics-based approach for studying in vitro rigidified blood cells","authors":"Mihajlo D. Radmilović , Vesna Lj. Ilić , Dušan D. Vučetić , Drenka I. Trivanović , Mihailo D. Rabasović , Aleksandar J. Krmpot , Ivana T. Drvenica","doi":"10.1016/j.saa.2024.125420","DOIUrl":"10.1016/j.saa.2024.125420","url":null,"abstract":"<div><div>RBCs deformability plays a crucial role in maintaining proper blood flow and oxygen delivery throughout the body. Conventional ektacytometry fails to differentiate between variations in deformability of RBC subpopulations as the averaging measurement process obscures these differences. In this study, we introduced an approach that integrates label-free optics-based techniques (flow cytometry, phase-contrast, and two-photon excitation fluorescent microscopy) with ektacytometry to evaluate subpopulations that exhibit decreased RBCs deformability upon an <em>in vitro</em> oxidation using 0.5 mM TBHP, as a low-level oxidative agent.</div><div>We found that flow cytometry can easily detect rigidified and oxidized subpopulations based on FSC/SSC light distribution, as well as RBCs fluorescence intensity and peak area likely originating from hemoglobin photo and/or degradation products. Two-photon excitation fluorescence microscopy proved altered morphology and spatial location of fluorescence intensity signal near the membrane of oxidized RBCs, when compared to control RBCs, indicating a link with the reduced deformability. The proposed label-free optics-based methodology, which combines established techniques with more sophisticated microscopy, emerges as a promising tool for detecting mechano-biological changes in different RBC subpopulations induced by oxidative stress. The findings suggest potential applications in clinical practice for monitoring pathological conditions influenced by physical or environmental stress and as a quality control measure for stored RBCs.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125420"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645353","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}
Pub Date : 2024-11-10DOI: 10.1016/j.saa.2024.125417
Dipjyoti Sarma , Kaushik K. Nath , Sritam Biswas , Gazi Ameen Ahmed , Pabitra Nath
Design of a sensitive, cost-effective SERS substrate is critical for probing analyte in trace concentration in real field environment. Present work reports the fabrication of an oxygen (O2) plasma treated bimetallic nanofibers as a sensitive SERS platform. In contrast to the conventional nanofiber-based SERS platform, the proposed plasma-treated bimetallic nanofibers-based SERS platform offers high sensitivity and reproducibility characteristics. On top, the use of bimetallic nanoparticles provides a synergistic effect, contributing to both electromagnetic and chemical enhancement to SERS performance and the plasma treatment contributes to the controlled exposure of the embedded nanoparticles (NPs) to the analyte thereby enhancing the overall sensitivity of the proposed technique. With standard Raman active probe molecules – 1,2-bis(4-pyridyl) ethylene (BPE) and rhodamine-6G (R6G) the limit of detection (LOD) and the limit of quantification (LOQ) of the proposed sensing platform are estimated to be 3.8 nM and 11.6 nM respectively. The enhancement factor (EF) of the designed sensing platform is calculated to be ∼108 with a maximum signal variations of 5 %. The applicability of the designed SERS substrate has been realized through detection of two antibiotics – fluconazole (FLU) and lincomycin (LIN) widely used in poultry farms. Furthermore, a deep learning model – artificial neural network (ANN) has been implemented for effective classification of the analyte molecules from a mixed sample.
{"title":"Plasma treated bimetallic nanofibers as sensitive SERS platform and deep learning model for detection and classification of antibiotics","authors":"Dipjyoti Sarma , Kaushik K. Nath , Sritam Biswas , Gazi Ameen Ahmed , Pabitra Nath","doi":"10.1016/j.saa.2024.125417","DOIUrl":"10.1016/j.saa.2024.125417","url":null,"abstract":"<div><div>Design of a sensitive, cost-effective SERS substrate is critical for probing analyte in trace concentration in real field environment. Present work reports the fabrication of an oxygen (O<sub>2</sub>) plasma treated bimetallic nanofibers as a sensitive SERS platform. In contrast to the conventional nanofiber-based SERS platform, the proposed plasma-treated bimetallic nanofibers-based SERS platform offers high sensitivity and reproducibility characteristics. On top, the use of bimetallic nanoparticles provides a synergistic effect, contributing to both electromagnetic and chemical enhancement to SERS performance and the plasma treatment contributes to the controlled exposure of the embedded nanoparticles (NPs) to the analyte thereby enhancing the overall sensitivity of the proposed technique. With standard Raman active probe molecules – 1,2-bis(4-pyridyl) ethylene (BPE) and rhodamine-6G (R6G) the limit of detection (LOD) and the limit of quantification (LOQ) of the proposed sensing platform are estimated to be 3.8 nM and 11.6 nM respectively. The enhancement factor (EF) of the designed sensing platform is calculated to be ∼10<sup>8</sup> with a maximum signal variations of 5 %. The applicability of the designed SERS substrate has been realized through detection of two antibiotics – fluconazole (FLU) and lincomycin (LIN) widely used in poultry farms. Furthermore, a deep learning model – artificial neural network (ANN) has been implemented for effective classification of the analyte molecules from a mixed sample.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125417"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635467","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}
Pub Date : 2024-11-10DOI: 10.1016/j.saa.2024.125395
Jingcan Qin , Fei Kong , Dachuan Zhang , Xiao Han Yuan , Yun Bian , Chengwei Shao
Fluorescence probes with outstanding merits have wide applications in tumor diagnosis. However, most of these probes can only detect single tumor biomarker, potentially generating “false positive” signals within intricate biological systems. In contrast, the dual-locked fluorescent probes triggered by two response factors can effectively address the aforementioned limitations. In this work, we fabricated a novel coumarin-based NIR fluorescent probe (CP-GSH), demonstrating dual-responsiveness to high glutathione (GSH) concentrations and high viscosity. Specifically, the probe showed strong fluorescence enhancement at 675 nm ∼ 725 nm in the simultaneous presence of GSH and high viscosity, whereas the presence of either GSH or high viscosity alone could not induce a noticeable change in fluorescence intensity of CP-GSH. More importantly, the bioimaging experiments further validated CP-GSH triggered by endogenous GSH possessed excellent targeting capability towards lipid droplets (LDs), which could be utilized to effective discriminate between cancer cells and normal cells. This work proposes a promising strategy for the design of dual-locked probe for tumor imaging.
{"title":"Dual-locked NIR fluorescent probe for detection of GSH and lipid droplets and its bioimaging application in cancer model","authors":"Jingcan Qin , Fei Kong , Dachuan Zhang , Xiao Han Yuan , Yun Bian , Chengwei Shao","doi":"10.1016/j.saa.2024.125395","DOIUrl":"10.1016/j.saa.2024.125395","url":null,"abstract":"<div><div>Fluorescence probes with outstanding merits have wide applications in tumor diagnosis. However, most of these probes can only detect single tumor biomarker, potentially generating “false positive” signals within intricate biological systems. In contrast, the dual-locked fluorescent probes triggered by two response factors can effectively address the aforementioned limitations. In this work, we fabricated a novel coumarin-based NIR fluorescent probe (CP-GSH), demonstrating dual-responsiveness to high glutathione (GSH) concentrations and high viscosity. Specifically, the probe showed strong fluorescence enhancement at 675 nm ∼ 725 nm in the simultaneous presence of GSH and high viscosity, whereas the presence of either GSH or high viscosity alone could not induce a noticeable change in fluorescence intensity of CP-GSH. More importantly, the bioimaging experiments further validated CP-GSH triggered by endogenous GSH possessed excellent targeting capability towards lipid droplets (LDs), which could be utilized to effective discriminate between cancer cells and normal cells. This work proposes a promising strategy for the design of dual-locked probe for tumor imaging.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125395"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640514","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}
Pub Date : 2024-11-10DOI: 10.1016/j.saa.2024.125418
Shengkang Ji , Shengyu Hao , Jie Yuan , Hongzhuan Xuan
Honey authenticity is critical to honey quality. The development of a quick, easy, and non-destructive technique for determining the authenticity of honey encourages an improvement in honey quality. Here, the authenticity of monofloral honey—rape honey was determined using fluorescence spectroscopy combined with multilayer perceptron (MLP) deep learning, without the need for any prior feature extraction or pre-processing. A total of 91 raw fluorescence intensity data of the real and adulterated honey samples at a fixed excitation wavelength of 280 nm were first matrixed, and all data were then categorized into a training set, a validation set, and a test set with numbers of 64, 16, and 11, respectively. The connection with dropout was selected to build and link the MLP internal network. The activation function, learning rate, optimizer, and number of epochs were among the hyperparameters of the MLP neural network that were tuned. A good MLP deep learning network model for determining the authenticity of monofloral honey, rape honey, was developed after constant validation and debugging. According to the accuracy curve of the MLP model, the accuracy of the training set increased with the number of epochs and eventually converged to 100 %, while the accuracy of the validation set could be well stabilized at about 100 % after 5000 epochs. Finally, the accuracy of the MLP model on the test set was close to 100 %. According to our findings, the MLP neural network and fluorescence intensity have great potential applications in identifying the authenticity of honey.
{"title":"Fluorescence spectroscopy combined with multilayer perceptron deep learning to identify the authenticity of monofloral honey—Rape honey","authors":"Shengkang Ji , Shengyu Hao , Jie Yuan , Hongzhuan Xuan","doi":"10.1016/j.saa.2024.125418","DOIUrl":"10.1016/j.saa.2024.125418","url":null,"abstract":"<div><div>Honey authenticity is critical to honey quality. The development of a quick, easy, and non-destructive technique for determining the authenticity of honey encourages an improvement in honey quality. Here, the authenticity of monofloral honey—rape honey was determined using fluorescence spectroscopy combined with multilayer perceptron (MLP) deep learning, without the need for any prior feature extraction or pre-processing. A total of 91 raw fluorescence intensity data of the real and adulterated honey samples at a fixed excitation wavelength of 280 nm were first matrixed, and all data were then categorized into a training set, a validation set, and a test set with numbers of 64, 16, and 11, respectively. The connection with dropout was selected to build and link the MLP internal network. The activation function, learning rate, optimizer, and number of epochs were among the hyperparameters of the MLP neural network that were tuned. A good MLP deep learning network model for determining the authenticity of monofloral honey, rape honey, was developed after constant validation and debugging. According to the accuracy curve of the MLP model, the accuracy of the training set increased with the number of epochs and eventually converged to 100 %, while the accuracy of the validation set could be well stabilized at about 100 % after 5000 epochs. Finally, the accuracy of the MLP model on the test set was close to 100 %. According to our findings, the MLP neural network and fluorescence intensity have great potential applications in identifying the authenticity of honey.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125418"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640517","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}
Serum biochemical markers are widely used in clinical practice but often require expensive, specific reagents, complex instruments, and prolonged result waiting times. Infrared spectroscopy offers multiple advantages for serum analysis, such as reagent-free testing and the ability to quickly and directly measure multiple parameters simultaneously. This study collected serum samples from 66 healthy subjects to explore the relationship between dried serum infrared spectra and biochemical parameters, and to investigate the feasibility of simultaneously quantifying nine major serum components using dried serum infrared spectra. Initially, correlation analysis was conducted between spectral data and biochemical parameters, and the correlation spectral bands of glucose, protein and lipid were determined according to the correlation results. Subsequently, the interval random frog (IRF) algorithm was utilized to select the optimal characteristic wavenumbers of the correlated spectral bands, extracting the most informative spectral variables and constructing partial least squares (PLS) quantitative models. This method successfully achieved rapid and accurate quantification of nine major components in serum, including glucose, total protein, albumin, apolipoprotein A1, apolipoprotein B, total cholesterol, triglycerides, low-density lipoprotein cholesterol, and high-density lipoprotein cholesterol. The experimental results showed that the correlation coefficient (Rp) range in the test set was 0.8892–0.9941. Among them, the quantification of total cholesterol yielded the highest Rp, corresponding to a root mean square error (RMSEP) of 7.2425 mg/dL in the test set, while the quantification of glucose yielded the lowest Rp, with an associated RMSEP of 2.3683 mg/dL. The Correlation Analysis (CA)-IRF-PLS method developed in this study outperformed the conventional PLS method, the direct use of the successive projection algorithm (SPA)-PLS quantitative method and other reported quantitative techniques, providing a novel approach for the real-time determination of clinical parameters in serum.
{"title":"Quantitative analysis of dried serum FTIR spectra based on correlation Analysis-Interval random Frog-Partial least squares","authors":"Ruojing Zhang , Xianwen Zhang , Hongrui Guo , Zhushanying Zhang , Yuan Gao , Qinlan Xie , Huimin Cao","doi":"10.1016/j.saa.2024.125427","DOIUrl":"10.1016/j.saa.2024.125427","url":null,"abstract":"<div><div>Serum biochemical markers are widely used in clinical practice but often require expensive, specific reagents, complex instruments, and prolonged result waiting times. Infrared spectroscopy offers multiple advantages for serum analysis, such as reagent-free testing and the ability to quickly and directly measure multiple parameters simultaneously. This study collected serum samples from 66 healthy subjects to explore the relationship between dried serum infrared spectra and biochemical parameters, and to investigate the feasibility of simultaneously quantifying nine major serum components using dried serum infrared spectra. Initially, correlation analysis was conducted between spectral data and biochemical parameters, and the correlation spectral bands of glucose, protein and lipid were determined according to the correlation results. Subsequently, the interval random frog (IRF) algorithm was utilized to select the optimal characteristic wavenumbers of the correlated spectral bands, extracting the most informative spectral variables and constructing partial least squares (PLS) quantitative models. This method successfully achieved rapid and accurate quantification of nine major components in serum, including glucose, total protein, albumin, apolipoprotein A1, apolipoprotein B, total cholesterol, triglycerides, low-density lipoprotein cholesterol, and high-density lipoprotein cholesterol. The experimental results showed that the correlation coefficient (<em>R</em>p) range in the test set was 0.8892–0.9941. Among them, the quantification of total cholesterol yielded the highest <em>R</em>p, corresponding to a root mean square error (RMSEP) of 7.2425 mg/dL in the test set, while the quantification of glucose yielded the lowest <em>R</em>p, with an associated RMSEP of 2.3683 mg/dL. The Correlation Analysis (CA)-IRF-PLS method developed in this study outperformed the conventional PLS method, the direct use of the successive projection algorithm (SPA)-PLS quantitative method and other reported quantitative techniques, providing a novel approach for the real-time determination of clinical parameters in serum.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125427"},"PeriodicalIF":4.3,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142654244","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}
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