Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy最新文献

{"title":"A novel mitochondrial-targeted fluorescent probe for ratiometric imaging of nitric oxide in cells and zebrafish.","authors":"Bin Lin, Jiaxin Fan, Shuting Li, Yifeng Han","doi":"10.1016/j.saa.2024.125636","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125636","url":null,"abstract":"<p><p>Nitric oxide (NO) is a key signaling molecule that regulates energy metabolism, apoptosis, and antioxidant balance within mitochondria. It is closely associated with the development of cardiovascular diseases, neurodegenerative diseases, and cancer. Therefore, developing fluorescent probes capable of accurately detecting NO levels in mitochondria is essential for understanding disease mechanisms and clinical diagnostics. In this study, we developed a novel fluorescent probe based on the isophorone fluorophore. This probe achieves high sensitivity and specific ratiometric detection of NO in mitochondria by regulating the intramolecular charge transfer (ICT) effect. The probe emits red fluorescence before reacting with NO, and the addition of NO triggers an amine-NO addition reaction that inhibits the ICT effect, resulting in a color change to yellow-green fluorescence. This ratiometric fluorescence response provides a new method for quantitatively detecting NO. Additionally, the probe has a significant Stokes shift and good ratiometric wavelength separation, enhancing detection accuracy. It localizes explicitly to mitochondria, directly reflecting changes in mitochondrial NO concentration. Experiments in HeLa cells and zebrafish models have demonstrated the potential application of the probe in diagnosing and studying NO-related diseases. This provides new strategies and tools for researching the biological functions of NO and the early diagnosis of related diseases.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125636"},"PeriodicalIF":0.0,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142873217","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Study of the interaction between green Si quantum dots and bovine serum albumin via spectroscopic methods and its effects on antioxidant capacity and esterase activity.","authors":"Meng Ji, Yanan Qiang, Si Li, Chunyuan Tian, Xuming Zhuang, Shengda Qi, Feng Luan","doi":"10.1016/j.saa.2024.125633","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125633","url":null,"abstract":"<p><p>In this study, the interaction mechanism between Si quantum dots (SiQDs) and bovine serum albumin (BSA), as well as the conformational and functional alterations of BSA, were rigorously investigated via multispectral techniques and dynamic light scattering analysis. van der Waals forces and hydrogen bonding, as well as an exothermic reaction and a decrease in entropy, were the primary forces involved in the binding of SiQDs to BSA. In the binding process, SiQDs exhibit preferential proximity to Site I over other potential binding sites. Furthermore, the incorporation of SiQDs into BSA causes a reduction in the α-helix and β-sheet contents of the protein. This, in turn, leads to an increased degree of stretching and an increase in the hydrophilicity of BSA. Furthermore, the increase in the antioxidant capacity and esterase activity of BSA upon the addition of SiQDs was positively correlated with the concentration. These findings elucidate the underlying interaction mechanism between green fluorescence-emitting SiQDs and BSA and provide fundamental insights into both the biological and toxicological implications of SiQDs.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125633"},"PeriodicalIF":0.0,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142879220","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fluorescent biosensor for ultra-stability detection of Pax-5a based on a double cascade amplification strategy.","authors":"Chang Liu, Xinyi Zhang, Jun Xu, Min Gao, Suqin Wang, Hongbo Li","doi":"10.1016/j.saa.2024.125632","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125632","url":null,"abstract":"<p><p>The development of B-lymphoblastic leukemia is tightly associated with aberrant expression of Pax-5a. This work presented a novel dual signal amplification strategy-based Pax-5a detection method by combining the rolling circle amplification reaction (RCA) and the Entropy-driven toehold-mediated strand displacement (ETSD). Particularly noteworthy is the employed ETSD, which effectively improves the rate and stability of the reaction due to its unique entropy-driven principle. The uniqueness of this method is the combination of two amplification techniques, each utilizing its own strengths to achieve our intended purpose. This sensing method has been effectively used to determine the Pax-5a gene which with a reliable linear correlation for detection within a range and achieving a detection limit of 3.34 pM, calculated using the formula (3σ/S). Furthermore, even in 1 % of human serum samples, the biosensor can identify the target gene with exceptional sensitivity. The recovery rates fall within the range of 96.68-101.76 %, with a relative standard deviation (RSD) of 5.47 %. The method has a strong specificity based on sequence-specific hybridization of nucleic acids, thereby effectively preventing potential false-positive results. This fluorescent biosensor has a high detection capability for Pax-5a, and offers stable results. It provides a new way for early clinical diagnosis of acute lymphoblastic leukemia.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125632"},"PeriodicalIF":0.0,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142879215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Zinc(II) organic framework based bifunctional biomarker sensor for efficient detection of urinary 5-Hydroxyindoleacetic acid and serum 3-Nitrotyrosine.","authors":"Wencui Li, Xin Liu, Nana Lei, Liying Liu, Xiaoting Li, Hu Ren, Jingrui Yin, Lu Zhang, Tanlai Yu, Liming Fan","doi":"10.1016/j.saa.2024.125610","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125610","url":null,"abstract":"<p><p>Monitoring biomarker levels in body fluids is of great importance in clinical diagnosis. Herein, a robust 3D ZnMOF, {[Zn₂(BTPB)_0.5(bib)_1.5(μ₂-OH)]·2H₂O}_n, was fabricated based on the ligands of 1,4-bis(2,4,6-tricarboxylpyrid-5-yl)benzene (H₆BTPB) and 1,4-bis(imidazol-1-yl)benzene (bib). On the basis of its stable architecture and intrinsic luminescence, ZnMOF demonstrated remarkable potential as a bifunctional luminescent sensor for selective and sensitive detecting the biomarkers of 3-nitrotyrosine (3-NT) and 5-hydroxyindoleacetic acid (5-HIAA) in water and body fluids by employing distinct \"turn-off\" and \"turn-on\" responses. Additionally, the inherent sensing mechanism was further assessed from the viewpoints of spectral overlap and photo-induced electron transfer. This work manifested MOFs-based luminescent sensors are developing into an effective method for detecting biomarkers in body fluids with perfect practicality and compatibility.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125610"},"PeriodicalIF":0.0,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142873636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Engineered DR/NIR dual-emission carbonized polymer dots for simultaneous tracking of lipid droplets and lysosomes.","authors":"Shan Miao, Junyong Sun, Ying Li, Qiang Zhang, Hongqi Chen, Feng Gao","doi":"10.1016/j.saa.2024.125598","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125598","url":null,"abstract":"<p><p>Developing near-infrared fluorescent probes for simultaneous tracking of lipid droplets (LDs) and lysosomes is highly desirable for studying cell metabolism. In this work, deep-red/near-infrared dual-emission carbonized polymer dots (DN-CPDs) were prepared for ratiometric monitoring of the intracellular polarity. Detailed structural analysis revealed that the deep-red emission and near-infrared peak of DN-CPDs originate from the molecular state and surface state, respectively. The surface-state emission was derived from the intraparticle charge-transfer (ICT) effect of the donor-bridge-acceptor (D-π-A) structure of DN-CPDs. The obtained DN-CPDs exhibited excellent dual-labeling ability, large Stokes shifts, ratiometric polarity sensitivity, high selectivity, and satisfactory photostability. Moreover, with the polarity distinction between LDs and lysosomes, DN-CPDs nanoprobes were successfully used to observe the dynamic changes of the two aforementioned organelles during starvation-induced lipophagy and drug-induced lipophagy inhibition processes. This work not only provides a useful tool for LD-lysosome related studies but is also valuable for the preparation of CPDs with long wavelength emission.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125598"},"PeriodicalIF":0.0,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142873629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A TDDFT exploration on the excited-state intramolecular proton transfer in 2-(2'-hydroxyphenyl)-benzimidazole derivatives.","authors":"Mingxia Hu, Yanrong Jia, Qinghu Ni, Yu Li, Jingtao Zhu, Yanying Zhao","doi":"10.1016/j.saa.2024.125607","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125607","url":null,"abstract":"<p><p>Excited-state intramolecular proton transfer (ESIPT) reactions are one of the fundamental energy transformation reactions in catalysis and biological process. The combining ESIPT with the twisted intramolecular charge transfer (TICT) brings the richness of optical, photoelectronic performances to certain functional compounds. Delineating the mechanism of ESIPT + TICT reactions and further understanding why a specific functional group dominates are fundamentally crucial for the design and application of the functionally photoelectric materials. In this paper, six 2-(2'-hydroxyphenyl) benzimidazole (HBIgens) derivatives involved in ESIPT + TICT were investigated by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations to have an insight into the photophysical and photochemical process in acetonitrile. The optimized geometries indicated that the intramolecular hydrogen bonds (-O-H···N-) were enhanced in the corresponding first singlet, which provided the fundamentally outstanding prerequisites of the ESIPT reactions. By further charge analysis, it is indicated that the introduction of substitutes to the different positions would determine the Stokes' shifts, and the electron-adopting p-cyanophenyl group mainly contributed to the TICT structure. Constraint scanning the potential energy curves of both ground and first singlet excited states, the electron-adopting N,N-diethylamino group on the meta position could enhance the barrier and inhibit the ESIPT reaction. Furthermore, the nucleus independent chemical shift (NICS(1)_ZZ) values of phenol groups indicate the relationship between the reversal aromaticity and the barrier of ESIPT, both of which were proved to be negatively correlated in the ESIPT reaction. It is concluded that not only both types and positions of substituents can tune the excited-state proton transfer behaviors in HBIgen derivatives, but also the aromatic rule can easily be applied to elaborate the ESIPT reaction.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125607"},"PeriodicalIF":0.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142879184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A coumarin and 1,8-napthyridine conjugated novel molecular hybrid: Synthesis, DFT insights and unveiling the selective fluorescent sensing of Hg²⁺ ions with live-cell imaging application.","authors":"G Durga Prasad, Raghvendra Niranjan, Mariyaraj Arockiaraj, Venkatachalam Rajeshkumar, Surendra H Mahadevegowda","doi":"10.1016/j.saa.2024.125606","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125606","url":null,"abstract":"<p><p>Herein, we have used a simple synthetic strategy to access a novel non-sulfur fluorescent molecular probe coumarin and 1,8-napthyridine conjugated probe DNCS. The developed probe has great selectivity and sensitivity for detecting Hg²⁺ ions. Our photophysical properties evaluation for the synthesized probe with different metal ions (Ba²⁺, Al³⁺, Ca²⁺, Bi³⁺, Ce³⁺, Cd²⁺, Cu²⁺, Sr²⁺, Co²⁺, Fe²⁺, Cr³⁺, Fe³⁺, Mn²⁺, Hg²⁺, Zn²⁺, Pb²⁺, Ni²⁺, and Sn²⁺) unveiled the very selective and sensitive fluorescence sensing behavior with Hg²⁺ ions in the energy window of near UV and visible light radiation in an organic aqueous solvent mixture (EtOH and water). The limit of detection (LOD) of 9.04 x10^-5 M and binding constant of 2.56 × 10³ M^-1 were obtained for the probe DNCS with Hg²⁺ ions, and 1:1 stoichiometric complexation. Our bioimaging experiments demonstrated that the developed probe exhibited fluorescent sensing behaviors towards Hg²⁺ ions with HCT 116 cells. Moreover, the current studies present the electronic properties of the DNCS probe computed through DFT computation studies at the B3LYP/6-311G(d,p) level of theory. We are confident that the developed fluorescent probe has the potential for the efficient fluorometric detection of Hg²⁺ ions and plays a significant role in environmental and human health protection.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125606"},"PeriodicalIF":0.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142873775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A smartphone-enabled colorimetric sensor based on VS₂ quantum dots for Rapid and on-site detection of ferric ions.","authors":"Anushka Yadav, Pinky Sagar, Monika Srivastava, Amit Srivastava, Rajneesh Kumar, S K Srivastava","doi":"10.1016/j.saa.2024.125609","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125609","url":null,"abstract":"<p><p>This research delves into the holistic hydrothermal synthesis of VS₂ QDs and their subsequent utilization as a fluorescent probe for the subtle detection of ferric ions (Fe³⁺) in practical sample matrices. The detection paradigms harness a colorimetric sensing mechanism, amplified by smartphone-enabled analytical integration for improved precision and real-time monitoring. A comprehensive suite of analytical characterization techniques has been employed, revealing that the as-synthesized VS₂ QDs feature a surface densely populated with functional groups. While the VS₂ QDs showcase interactions with multifarious metal ions in aqueous media, they set forth a pronounced and selective fluorescent quenching response toward Fe³⁺ ions, markedly surpassing their interactions with other metal ions. The developed sensing probe exhibits a linear detection range spanning from 0 - 90 μM, with a LOD as low as 2.25 μM, also exhibits exceptional sensitivity (K_D ∼ 0.8 × 10⁴ M^-1) and remarkable selectivity for Fe³⁺ ions, harnessing the intrinsic photoluminescent characteristics of VS₂ QDs. In addition, a sophisticated portable smartphone platform, integrated with a radiometric fluorescence probe specifically tailored for in-situ detection of Fe³⁺ at the point of care, exhibits a LOD of approximately 5.05 μM, a value that resides below the prescribed safety threshold. Thus, the proposed probe stands to function as an exceptionally potent sensing apparatus for the precise quantification of Fe³⁺ in complex real-world samples.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125609"},"PeriodicalIF":0.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142873228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Resonance light scattering combined with miniaturized Thermal-Assisted Purge-and-Trap device for screening of hydrochloride drugs.","authors":"Chenbing Xi, Chi Tian, Laishui Yu, Yuhao Xiong, Zhijiao Tang, Zhengyi Chen","doi":"10.1016/j.saa.2024.125605","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125605","url":null,"abstract":"<p><p>Resonance Light Scattering (RLS) is a sensitive analytical technology hindered by its susceptibility to impurities in complex samples. This study introduces a combination of RLS with a high-efficiency sample preparation device, the Miniaturized Thermal-Assisted Purge-and-Trap (MTAPT), enhancing RLS's effectiveness in complex sample analysis. Specifically, we utilized MTAPT-RLS for the indirect screening of illegal hydrochloride drug additions in health products, based on three considerations: the transformation of bound HCl in hydrochloride drugs into volatile HCl under strong acid and heat; the minimal Cl content in health products for taste purposes; and the detectability of Cl ions by RLS upon the addition of AgNO₃ and a stabilizer. Employing RLS, this method quantifies Cl elements via fluorescence signals, achieving a linear response (R = 0.9984) across 5.0-80.0 μg/mL and a recovery rate of 94.1-114.0 % across three sample types. With a detection limit of 2.0 μg/mL, this approach exceeds traditional rapid detection methods in speed and sensitivity, offering substantial benefits for food safety monitoring. Additionally, we developed a smartphone-based detection system utilizing RGB signal changes captured by smartphone cameras, coupled with a custom app. This system shows a linear response (R = 0.9888) within the same concentration range and detection limit. Notably, the green light source provided the highest sensitivity, aligning with the RLS peak at approximately 520 nm. With its excellent portability, this method is well-suited for on-site rapid detection, independent of bulky analytical instruments.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125605"},"PeriodicalIF":0.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142873631","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid and high accuracy identification of culture medium by CNN of Raman spectra.","authors":"Yu Wan, Yue Jiang, Weiheng Zheng, Xinxin Li, Yuanchen Sun, Zongnan Yang, Chuang Qi, Xiangwei Zhao","doi":"10.1016/j.saa.2024.125608","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125608","url":null,"abstract":"<p><p>Culture media are widely used for biological research and production. It is essential for the growth of microorganisms, cells, or tissues. It includes complex components like carbohydrates, proteins, vitamins, and minerals. The media's consistency is key for predictable outcomes in biology applications. However, traditional methods of analyzing media are costly and time-consuming by using chromatography or mass spectrometry. This study introduces an innovative approach using optimized convolutional neural networks (CNN) combined with Raman spectroscopy to identify culture media. Samples of culture media from different models and batches are prepared for identification experiment. Raman spectra of each culture media samples are captured with unique molecular vibrations and rotations by Raman spectrometer rapidly. After preprocessing of sample data, Raman spectra are input to CNN for identification training and validation. An optimized CNN with more layers is designed to enhance the identify ability for Raman spectra. In experiment, it compared the performance of PCA-SVM, the original CNN, and an optimized CNN for media identification. The PCA-SVM achieved high accuracy and precision rates of 99.19% and 98.39% respectively. The original CNN achieved an accuracy of 71.89% due to limited training dataset. The optimized CNN model achieved a perfect accuracy rate of 100% in identifying different culture media. To avoid overfitting risk, additional external test is performed with optimized CNN. The result confirmed that optimized CNN offering effectiveness in identifying media from different models and batches, with strong generalization ability. The findings in study may offer an efficient and cost-effective method for pharmaceutical companies, to ensure the consistency of culture media.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"329 ","pages":"125608"},"PeriodicalIF":0.0,"publicationDate":"2024-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142866704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}