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

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Nano-scale multi-spectroscopic analysis of the anti-fibromyalgia drug pregabalin based on dihydropyridine ring formation with sustainability and whiteness evaluation. 基于二氢吡啶环形成的抗纤维肌痛药物普瑞巴林的纳米级多光谱分析以及可持续性和白度评估。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-01-15 Epub Date: 2024-09-17 DOI: 10.1016/j.saa.2024.125151
Mohamed A El Hamd, Reem H Obaydo, Marwa Ibrahim Helmy, Wael A Mahdi, Sultan Alshehri, Mahmoud El-Maghrabey, Christine K Nessim
{"title":"Nano-scale multi-spectroscopic analysis of the anti-fibromyalgia drug pregabalin based on dihydropyridine ring formation with sustainability and whiteness evaluation.","authors":"Mohamed A El Hamd, Reem H Obaydo, Marwa Ibrahim Helmy, Wael A Mahdi, Sultan Alshehri, Mahmoud El-Maghrabey, Christine K Nessim","doi":"10.1016/j.saa.2024.125151","DOIUrl":"10.1016/j.saa.2024.125151","url":null,"abstract":"<p><p>This research addresses the challenge of analyzing pregabalin, a primary amine in a zwitterionic structure, which is difficult to evaluate due to its lack of chromatophore. The study introduces a derivatization assessment using Hantzsch's multicomponent organic reaction to enhance the detectability of pregabalin by forming a highly fluorescent dihydropyridine derivative. This process involves the condensation of pregabalin with acetylacetone and formaldehyde, yielding a yellowish-green compound measurable both colorimetrically at 338 nm and fluorimetrically at an emission wavelength of 486 nm (λ<sub>excitation</sub> = 408 nm). The reaction conditions were thoroughly optimized to obtain the highest possible sensitivity, reduce reagent and time consumption, and use safe solvents. The developed method displayed high sensitivity and linearity in the concentration ranges of 4.0 - 20.0 µg/mL in colorimetric assay and reached a nano-scale analysis level of 40 - 2000 ng/mL with a detection limit down to 10 ng/mL when adopting the fluorimetric measurement. Both assessments were rigorously evaluated for their performance, adhering to the International Conference on Harmonization (ICH) standards. The accuracy of these methods was confirmed through the recovery rates of real samples, showing 98.9 ± 0.2 % for colorimetric and 98.2 ± 0.7 % for fluorimetric assessment. The excellent sensitivity of the suggested spectrofluorometric approach led to its use in the measurement of PRG in spiked human urine samples, resulting in particularly good recoveries ranging from 95.3 to 102.8 %. Meanwhile, the Need, Quality, Sustainability (NQS) index looks into how necessary the method is, execution quality (evaluated using the RGB 12 algorithm), and how it fits with the Sustainable Development Goals (SDGs), underlining the benefits of employing natural reagents. The developed approach showed superiority in sensitivity and sustainability compared to previous analytical approaches for pregabalin.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125151"},"PeriodicalIF":0.0,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142335517","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}
引用次数: 0
Exploring the charge transfer enhancement mechanism in selective SERS detection with Mo1-xWxS2@Ag2S nanosheets. 探索 Mo1-xWxS2@Ag2S 纳米片在选择性 SERS 检测中的电荷转移增强机制。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-01-15 Epub Date: 2024-09-18 DOI: 10.1016/j.saa.2024.125133
Qing Chen, Kun Pang, Qiao Tang, Jie Huang, Qianmin Dong, Pei Liang
{"title":"Exploring the charge transfer enhancement mechanism in selective SERS detection with Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets.","authors":"Qing Chen, Kun Pang, Qiao Tang, Jie Huang, Qianmin Dong, Pei Liang","doi":"10.1016/j.saa.2024.125133","DOIUrl":"10.1016/j.saa.2024.125133","url":null,"abstract":"<p><p>In order to solve the problem of poor sensitivity and selectivity of conventional SERS substrates, we synthesized Mo<sub>1-x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets in this paper by a two-step hydrothermal method. The structure and morphology of the synthesized Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets were characterized by XRD and SEM,respectively. The results show that the Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheet has an irregular layered structure. Further, the SERS properties of Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets were tested by using rhodamine 6G (R6G), crystalline violet (CV), and 4-mercaptobenzoic acid (4-MBA) as probe molecules, respectively. The test results demonstrated that the nanosheets were specific to R6G and CV probe molecules, and the mechanism of selectivity was due to CT enhancement. In addition, Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S exhibits ultrahigh sensitivity in R6G and CV, with the corresponding detection limit of both reached 10<sup>-8</sup> M. And linear fitting of the peak intensities was carried out, with the R<sup>2</sup> coefficient of 0.981 and 0.951, respectively. Finally, the relative standard deviations (RSDs) of this Mo1-xWxS2@Ag2S nanosheets was obtained to be 8.56 % by test 1 × 10<sup>-4</sup> M R6G at the characteristic peak 613 cm<sup>-1</sup>, which represents excellent detection repeatability. The Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets are rich in edge-active sites favorable for charge transfer, which can enhance the SERS signals of the target molecules better. Besides, the Raman detection of the surface of Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets using nitrofurantoin (NFT) also reached a detection limit of 10<sup>-8</sup> M. Mo<sub>1-</sub><sub>x</sub>W<sub>x</sub>S<sub>2</sub>@Ag<sub>2</sub>S nanosheets substrates can find applications in medicine and provide new strategies for improving the SERS performance.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125133"},"PeriodicalIF":0.0,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142305267","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}
引用次数: 0
Eco-friendly hydrotropic spectrophotometric analysis of ranolazine hydrochloride. 盐酸雷诺拉嗪的环保型水热分光光度法分析。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-01-15 Epub Date: 2024-09-14 DOI: 10.1016/j.saa.2024.125122
Sarthak G Kulkarni, Minal S Patil, Dipali N Patel, Suraj R Chaudhari, Atul A Shirkhedkar
{"title":"Eco-friendly hydrotropic spectrophotometric analysis of ranolazine hydrochloride.","authors":"Sarthak G Kulkarni, Minal S Patil, Dipali N Patel, Suraj R Chaudhari, Atul A Shirkhedkar","doi":"10.1016/j.saa.2024.125122","DOIUrl":"10.1016/j.saa.2024.125122","url":null,"abstract":"<p><p>Simple and eco-friendly biodegradable hydrotropes-assisted spectrophotometric experiments have been designed and validated to quantify ranolazine hydrochloride (RAN.HCl) in extended-release tablets. The citric acid and sodium citrate are employed as hydrotropes, serving as promising alternatives to polar organic solvents. The development of rapid and specific spectrophotometric experiments aimed at enhancing the spectral absorption of RAN.HCl. The spectrophotometric experiments are D<sup>0</sup> and D<sup>0 AUC</sup>, in which the highest peak absorbance was observed at 270.50 nm, with an AUC ranging from 265.00 to 275.50 nm. Moreover, spectral analysis of D<sup>1</sup> and D<sup>2</sup> were conducted with peak amplitudes recorded at 280.00 nm and 274.40 nm, respectively. The AUC in the wavelength ranges 275.00-287.00 nm for D<sup>1</sup>, and 265.00-279.50 nm for D<sup>2</sup> were implemented to quantify RAN.HCl confirms no interference from the common additives incorporated into the marketed preparation. The optimized experiments disclosed a linear relationship in the 0.02-0.16 mg/mL concentration range. The accuracy was performed at 50-150 %, revealing an overall average recovery of 100.02 %. The lowest limits of RAN.HCl that could be accurately detected and quantified were 0.0016 and 0.0049, 0.0018 and 0.0055, 0.0058 and 0.0176, 0.0024 and 0.0075, 0.0074 and 0.0224, 0.0021 and 0.0064 mg/mL, respectively, across these investigations. Statistical analysis revealed no significant differences between the outcomes of the present investigation and those documented in literature reports, based on the t- and F-values at p = 0.05, which were below the theoretical values of 2.2622, 2.3646, 6.26, and 19.20, respectively.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125122"},"PeriodicalIF":0.0,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142335515","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}
引用次数: 0
Novel quantum dots-based assay for the determination of anti-hypertensive drugs minoxidil and timolol in different matrices. 基于量子点的新型测定法,用于测定不同基质中的抗高血压药物米诺地尔和噻吗洛尔。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-01-15 Epub Date: 2024-09-17 DOI: 10.1016/j.saa.2024.125141
Esraa S Ahmed, Eman A Bahgat, Hanaa Saleh, Mona E El Sharkasy, Fathalla Belal
{"title":"Novel quantum dots-based assay for the determination of anti-hypertensive drugs minoxidil and timolol in different matrices.","authors":"Esraa S Ahmed, Eman A Bahgat, Hanaa Saleh, Mona E El Sharkasy, Fathalla Belal","doi":"10.1016/j.saa.2024.125141","DOIUrl":"10.1016/j.saa.2024.125141","url":null,"abstract":"<p><p>The present work reports a sensitive, affordable, and ecologically friendly spectrofluorimetric method for the assessment of two antihypertensive medications, namely minoxidil and timolol. Blue-emitting sulfur and nitrogen co-doped carbon quantum dots (S,N-CQDs) were generated by exposing soluble starch and thiourea to a 15-minute microwave treatment. The so- prepared nanodots displayed fluorescence at 276/430 nm with a quantum yield of 22 %. Inspection of the so-prepared nano-sensor verified their doping with nitrogen and sulfur, and their size was in the range of 4.5-9.03 nm. The proposed method was found to be rectilinear in the range of 0.20-5.0 and 2.0-30.0 µg/mL, with LOQs of 0.16 and 0.82 µg/mL for minoxidil and timolol, respectively. The developed method was employed to assess the concentrations of minoxidil and timolol in their pharmaceutical formulations, with %recoveries varying between 99.00 % and 101.94 %, and low RSD values (less than 2 %). The high sensitivity of the developed method allowed its use for timolol measurement in artificial aqueous humor, with % recoveries between 97.60 %.and 101.57 %. The study further examined how each analyte interacted with the prepared dots, leading to a quenching of their fluorescence. Additionally, an interference study was utilized to evaluate the specificity of the proposed approach through determining analyte levels in the existence of common additives, co-formulated drugs, and co-administered drugs. The analytical eco-scale, GAPI and AGREE assessment techniques were utilized to confirm the suggested method greenness.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125141"},"PeriodicalIF":0.0,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142335518","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}
引用次数: 0
A Dicyanoisophorone-based Fluorescent Turn-on Probe for Rapid Detecting Thiophenol in Aqueous Medium and Living Cell Imaging. 一种基于二氰异佛酮的荧光导通探针,用于快速检测水介质中的苯硫酚和活细胞成像。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-01-15 Epub Date: 2024-09-19 DOI: 10.1016/j.saa.2024.125180
Yaqiao Shi, Jianwei Wu, Liting Jiang, Haoxiang Bai, Ru Feng, Yue Wang, Zhaoli Xue
{"title":"A Dicyanoisophorone-based Fluorescent Turn-on Probe for Rapid Detecting Thiophenol in Aqueous Medium and Living Cell Imaging.","authors":"Yaqiao Shi, Jianwei Wu, Liting Jiang, Haoxiang Bai, Ru Feng, Yue Wang, Zhaoli Xue","doi":"10.1016/j.saa.2024.125180","DOIUrl":"10.1016/j.saa.2024.125180","url":null,"abstract":"<p><p>A novel colorimetric and fluorescent thiophenol probe based on dicyanoisophorone has been successfully achieved, which has low-cost, easy operation, high selectivity, sensitivity and stability. The chemosensor shows a large Stokes shift and approximately 170 nm when excited at 510 nm. ISO-DiNO<sub>2</sub> could be utilized as \"Turn-on\" and a naked-eyes chemosensor to detect PhSH, which is accompanied by a distinct color shift from red to dark purple with strong red fluorescence at 365 nm UV-light. Its limit of detection was determined to be 1.15 μM. More importantly, ISO-DiNO<sub>2</sub> can react instantaneously (<10 s) with PhS<sup>-</sup>. In addition, ISO-DiNO<sub>2</sub> has been utilized in test paper strips, water sample together with imaging of PhS<sup>-</sup> in living Raw264.7 cells, demonstrating that ISO-DiNO<sub>2</sub> has excellent and promising applications.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125180"},"PeriodicalIF":0.0,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142335500","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}
引用次数: 0
Amide/urea-based simple fluorometric receptors for iodide and Hg2+ ions in aqueous medium: Aggregation induced emission and DFT studies. 水介质中碘离子和 Hg2+ 离子的酰胺/尿素基简单荧光测定受体:聚合诱导发射和 DFT 研究。
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2025-01-15 Epub Date: 2024-09-18 DOI: 10.1016/j.saa.2024.125134
Suprava Ghosh, Chandi C Malakar, Pallab Pahari, Ananta Kumar Atta
{"title":"Amide/urea-based simple fluorometric receptors for iodide and Hg<sup>2+</sup> ions in aqueous medium: Aggregation induced emission and DFT studies.","authors":"Suprava Ghosh, Chandi C Malakar, Pallab Pahari, Ananta Kumar Atta","doi":"10.1016/j.saa.2024.125134","DOIUrl":"10.1016/j.saa.2024.125134","url":null,"abstract":"<p><p>Herein, we report pyrene-tagged amide and urea-based sugar derivatives 1 and 2 in a simple synthetic pathway to recognize I<sup>-</sup> and Hg<sup>2+</sup> ions. Both molecules showed absorbance and fluorescence selectivity towards iodide ions in THF/H<sub>2</sub>O (7/3, v/v) medium. The selectivity and sensitivity of 2 for iodide ions are superior to 1 due to more H-bond donors in 2. Interestingly, fluorometric receptor 2 exhibited aggregation-induced emission (AIE) at higher pH with a remarkable fluorometric color change. The AIE phenomenon might be explained by the self-association of 2 after forming imine functionality in the alkali medium. The Stern-Volmer plot showed the fluorescence quenching constant of each receptor with an iodide ion and indicated the quenching pathway. The LODs of 1 and 2 for iodide ions were evaluated as 0.84 and 0.17 µM, respectively. The 1:1 binding stoichiometry of 1 or 2 with iodide was found from the Job plot and verified by measuring the complex mass. Further, the complexes of each receptor with I<sup>-</sup> ions can detect Hg<sup>2+</sup> ions selectively by fluorescence turn-on method with low sensitivities (LODs: 0.008 µM for 1 and 0.01 µM for 2). DFT results were used to understand the binding mode of receptors 1 and 2 with iodide ions and the quenching process in the aqueous THF medium. The real application of the receptors was established for the recovery of iodide and Hg<sup>2+</sup> ions from natural water samples.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"325 ","pages":"125134"},"PeriodicalIF":0.0,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142335514","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}
引用次数: 0
Estimating baselines of Raman spectra based on transformer and manually annotated data.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-12-27 DOI: 10.1016/j.saa.2024.125679
Jiangsan Zhao, Tomasz Woznicki, Krzysztof Kusnierek
{"title":"Estimating baselines of Raman spectra based on transformer and manually annotated data.","authors":"Jiangsan Zhao, Tomasz Woznicki, Krzysztof Kusnierek","doi":"10.1016/j.saa.2024.125679","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125679","url":null,"abstract":"<p><p>Raman spectroscopy is a powerful and non-invasive analytical method for determining the chemical composition and molecular structure of a wide range of materials, including complex biological tissues. However, the captured signals typically suffer from interferences manifested as noise and baseline, which need to be removed for successful data analysis. Effective baseline correction is critical in quantitative analysis, as it may impact peak signature derivation. Current baseline correction methods can be labor-intensive and may require extensive parameter adjustment depending on the input spectrum characteristics. In contrast, deep learning-based baseline correction models trained across various materials, offer a promising and more versatile alternative. This study reports an approach to manually identify the ground-truth baselines for eight different biological materials through extensively tuning the parameters of three classical baseline correction methods, Modified Multi-Polynomial Fit (Modpoly), Improved Modified Multi-Polynomial Fitting (IModpoly), and Adaptive Iteratively Reweighted Penalized Least Squares (airPLS), and combining the outputs to best fit the training data. We designed a one-dimensional Transformer (1dTrans) tailored to fit Raman spectral data for estimating their baselines, and evaluated its performance against convolutional neural network (CNN), ResUNet, and three aforementioned parametric methods. The 1dTrans model achieved lower mean absolute error (MAE) and spectral angle mapper (SAM) scores when compared to the other methods in both development and evaluation of the manually labeled original raw Raman spectra, highlighting the effectiveness of the method in Raman spectra pre-processing.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125679"},"PeriodicalIF":0.0,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142904705","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}
引用次数: 0
Peroxynitrite as biomarker to evaluate the rehabilitation of cisplatin in the resistant cells with miR-125a-5p by using fluorescent assay.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-12-26 DOI: 10.1016/j.saa.2024.125663
Jinpei Lin, Shufang Lin, Zengyan Lin, Zhengrong Huang, Daliang Li
{"title":"Peroxynitrite as biomarker to evaluate the rehabilitation of cisplatin in the resistant cells with miR-125a-5p by using fluorescent assay.","authors":"Jinpei Lin, Shufang Lin, Zengyan Lin, Zhengrong Huang, Daliang Li","doi":"10.1016/j.saa.2024.125663","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125663","url":null,"abstract":"<p><p>Reactive oxygen species (ROS) play a dual role in the chemotherapy of cancer with cisplatin, providing both anti-tumor effects and contributing to drug resistance at various stages of treatment which seriously affects treatment effectiveness. The detailed mechanism of ROS is urgently necessary to be explored. To address this issue in the non-small-cell lung cancer (NSCLC) with cisplatin-resistance, a reliable assay was developed by synthesizing and characterizing an interesting near-infrared (NIR) ONOO<sup>-</sup> probe BPB with high specificity, quick response (<30 s) and excellent limitation of detection (59 nM), which was further convinced through living cell imaging techniques providing different fluorescence variation between cell and cuvette. All the results revealed that ONOO<sup>-</sup> might be a practical biomarker to comprehend the detail molecular mechanism in cisplatin-resistant A549 cells. The elevated levels of ONOO<sup>-</sup> in cisplatin-resistant A549 cells, accompanied by a significant reduction in fluorescence following the knockout of miR-125a-5p in these cells and strong fluorescence without knockout of miR-125a-5p ignoring the presence of cisplatin. Comparing with cisplatin-resistant cells, the control would provide a rational background and then showed distinct fluorescence from BPB with ONOO<sup>-</sup> toward cisplatin. This assay offers a promising tool for exploring the molecular mechanisms associated with miR-125a-5p and its potential linkage to therapeutic efficacy involving ONOO<sup>-</sup> signaling. By utilizing this innovative assay, researchers can gain valuable insights into the treatment strategies and underlying mechanisms of cisplatin-resistant cancers, which should be beneficial to the therapy of cancers.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125663"},"PeriodicalIF":0.0,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142904716","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}
引用次数: 0
Design, synthesis, and anticancer evaluation of N4-substituted thiosemicarbazones derived from ortho- and para-ethoxy-benzaldehydes.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-12-25 DOI: 10.1016/j.saa.2024.125662
Vipin Singh, Jebiti Haribabu, Arunachalam Arulraj, Ramesh Vediyappan, Anandaram Sreekanth
{"title":"Design, synthesis, and anticancer evaluation of N4-substituted thiosemicarbazones derived from ortho- and para-ethoxy-benzaldehydes.","authors":"Vipin Singh, Jebiti Haribabu, Arunachalam Arulraj, Ramesh Vediyappan, Anandaram Sreekanth","doi":"10.1016/j.saa.2024.125662","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125662","url":null,"abstract":"<p><p>R<sub>2</sub> - C(S) - NH - N = CH - R<sub>1</sub> [R<sub>1</sub> = o-OCH<sub>2</sub>CH<sub>3</sub> & R<sub>2</sub> = C<sub>4</sub>H<sub>9</sub>N (2-EBP), R<sub>1</sub> = o-OCH<sub>2</sub>CH<sub>3</sub> & R<sub>2</sub> = C<sub>4</sub>H<sub>9</sub>NO (2-EBM), R<sub>1</sub> = p-OCH<sub>2</sub>CH<sub>3</sub> & R<sub>2</sub> = C<sub>4</sub>H<sub>9</sub>N (4-EBP), and R<sub>1</sub> = p-OCH<sub>2</sub>CH<sub>3</sub> & R<sub>2</sub> = C<sub>4</sub>H<sub>9</sub>NO (4-EBM)] have been synthesized. The ligands have been verified via various spectroscopic methods such as IR, NMR, etc. Single-crystal X-ray diffraction methods were applied to identify the structure of 4-EBP. Absorption/emission spectroscopic titration was used to assess the interaction of ligands to calf thymus (CT) DNA. DNA binding studies revealed interactions characterized by hyperchromicity and a slight redshift. 4-EBP showed the highest binding constant (1.58 × 10<sup>5</sup>), indicating that it binds stronger to CT-DNA. The red shift and significant hypochromic shift seen in the fluorescence titration spectra of the BSA binding probes showed the strong interaction of the ligand to BSA. EGFR protein docking investigations verified the potential of the ligands to treat its targets. 4-EBP has the highest docking score (-6.7987 kcal) compared to other synthesized ligands. The B3LYP/6-311 G (d, p) ++ was implemented to calculate density functional theory (DFT). All ligands have a LogP value below 5, indicating lipophilic properties suitable for SwissADME studies. All new ligands follow Lipinski's drug class rules. Low synthetic input levels between 2 and 3 indicate the best results for this material. Each ligand (2-EBP to 4-EBM) has been marked to perform as an oral drug candidate. To test the anticancer potential of four ligands (2-EBP to 4-EBM). 4-EBP showed good efficacy against endothelial and liver cancer cells, with IC<sub>50</sub> values of 21.2 ± 0.1 and 45.3 ± 0.1 against MCF-7 and HepG-2 respectively.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"330 ","pages":"125662"},"PeriodicalIF":0.0,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142904698","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}
引用次数: 0
Ratiometric sensor based on Ag+-mediated luminescence of Tb-DNA complexes for visual detection of 4-aminophenol.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Pub Date : 2024-12-24 DOI: 10.1016/j.saa.2024.125659
Dong Zhang, Ping Yan, Hong Yu, Jing Sun, Shuyun Zhu, Xian-En Zhao
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