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

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Enhancing the accuracy of blood-glucose tests by upgrading FTIR with multiple-reflections, quantum cascade laser, two-dimensional correlation spectroscopy and machine learning 利用多重反射、量子级联激光、二维相关光谱和机器学习提升傅立叶变换红外光谱,从而提高血糖测试的准确性。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-05 DOI: 10.1016/j.saa.2024.125400
Liying Song , Zhiqiang Han , Po-Wan Shum , Woon-Ming Lau
{"title":"Enhancing the accuracy of blood-glucose tests by upgrading FTIR with multiple-reflections, quantum cascade laser, two-dimensional correlation spectroscopy and machine learning","authors":"Liying Song ,&nbsp;Zhiqiang Han ,&nbsp;Po-Wan Shum ,&nbsp;Woon-Ming Lau","doi":"10.1016/j.saa.2024.125400","DOIUrl":"10.1016/j.saa.2024.125400","url":null,"abstract":"<div><div>The accuracy of screening diabetes from non-diabetes is drastically enhanced by strategically upgrading the bench-marking infrared spectroscopy technique for non-invasive tests of blood-glucose, both with state-of-the-art instrumentation-retrofits and with intelligent spectral-datamining tools. First, the signal-to-noise performance of FTIR in measuring the spectral features of a glucose solution containing bovine serum albumin is improved by 2–3 times with the common single-pass attenuated total-reflection setup replaced by a multi-passes-reflections setup. Second, replacing the ordinary infrared lamp with a quantum cascade laser further improves the signal-to-noise by 3 times. The performance of the upgraded spectrometer in screening hyperglycemia is gauged by the accuracy of such screens derived from 100 repetitive spectral-measurements per glucose concentration, for 24 glucose concentrations spanning the range of 70–300 mg/dL, a range which covers the blood-glucose contents of all non-diabetic and diabetic human-subjects. Third, intelligent datamining methods are exploited to implement decision trees for screening hyperglycemia. Their decisions are mapped into a confusion matrix and the matrix-elements are used to calculate the accuracy merits of each method. Evidently, the accuracy of the multi-passes-FTIR with the standard principal-components datamining method is 80 %. The adoptions of the quantum cascade laser and two-dimensional correlation spectroscopy datamining technique raises this to 96.3 %. Finally, a novel machine learning method, which comprises three different decision-tree tools to generate trial screening decisions and a “majority-voting” datamining tool to reach a final screening decision, yields the best accuracy of 98.8 % ever reported in the literature.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125400"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photophysical characterization of xanthene dyes 呫吨染料的光物理特性。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-05 DOI: 10.1016/j.saa.2024.125345
Eduardo V. Bergmann , Ana P.B. Cavalaro , Newller M. Kimura , Vitor S. Zanuto , Nelson G.C. Astrath , Leandro S. Herculano , Luis C. Malacarne
{"title":"Photophysical characterization of xanthene dyes","authors":"Eduardo V. Bergmann ,&nbsp;Ana P.B. Cavalaro ,&nbsp;Newller M. Kimura ,&nbsp;Vitor S. Zanuto ,&nbsp;Nelson G.C. Astrath ,&nbsp;Leandro S. Herculano ,&nbsp;Luis C. Malacarne","doi":"10.1016/j.saa.2024.125345","DOIUrl":"10.1016/j.saa.2024.125345","url":null,"abstract":"<div><div>The growing interest in using photodynamic therapy for cancer treatment and antimicrobial applications has prompted the search for different classes of dyes. In general, the protocols of these studies are different, making it difficult to compare their efficiency directly. Here, we apply a controlled protocol to analyze the photophysical properties of Erythrosin B, Eosin Y, and Rose Bengal using a set of optical techniques. The results show that Erythrosine has the best singlet oxygen generation capacity. This result, added to the well-known low toxicity of Erythrosine, makes it a good choice among the xanthenes for health applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125345"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lanthanide coordination polymers as luminescent laccase mimics for ratiometric sensing of dopamine 镧系元素配位聚合物作为发光漆酶模拟物,用于多巴胺的比率测量传感。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-05 DOI: 10.1016/j.saa.2024.125398
Chen Ruan, Siqi Zhou, Xinru Wu, Lina Zou, Rong Wang, Gaiping Li
{"title":"Lanthanide coordination polymers as luminescent laccase mimics for ratiometric sensing of dopamine","authors":"Chen Ruan,&nbsp;Siqi Zhou,&nbsp;Xinru Wu,&nbsp;Lina Zou,&nbsp;Rong Wang,&nbsp;Gaiping Li","doi":"10.1016/j.saa.2024.125398","DOIUrl":"10.1016/j.saa.2024.125398","url":null,"abstract":"<div><div>Some metal ions, with inner enzyme-like catalytic activity, could be doped into lanthanide coordination polymers (Ln CPs) through coordination, which has been proved as a facile strategy to prepare the luminescent nanozymes. In this study, Cu-doped Ln CPs with laccase-mimic activity and double luminescence were rationally designed and synthesized by self-assembly of guanine monophosphate (GMP), 2-aminoterephthalic acid (ATA), Cu<sup>2+</sup> and Tb<sup>3+</sup> in buffer solution at room temperature. The obtained probes Tb/Cu-GMP/ATA CPs not only emitted green fluorescence of Tb<sup>3+</sup> and blue fluorescence of ATA simultaneously under irradiation at the same wavelength, but also processed enhanced laccase-like activity for catalyzing the oxidation of phenolic substrates. Upon dopamine (DA), the probes catalyzed the oxidation of DA to polydopamine (PDA), which effectively quenched the fluorescence of Tb<sup>3+</sup> due to the internal filtration effect. Based on this, a ratiometric fluorescent sensor for DA was constructed accordingly, and the corresponding fluorescence intensity ratio of Tb<sup>3+</sup> <!-->to ATA (F<sub>547</sub>/F<sub>427</sub>) was linearly correlated with the DA concentration in the range of 1 to 400 μM, with a detection limit of 0.44 μM. Besides, this sensor could be used to detect DA in human serum samples with good recovery, which results were highly consistent with that of HPLC method. The constituent and luminescence tunability, as well as the extraordinarily facile synthesis, made Ln CPs a potential platform for designing and preparing the integrated multifunctional probe for special target in sensing applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125398"},"PeriodicalIF":4.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635459","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
∼2 μm broadband luminescence in Tm3+/Ho3+/Er3+-doped tellurite glass ∼掺杂 Tm3+/Ho3+/Er3+ 的碲玻璃中的 2 μm 宽带发光
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-04 DOI: 10.1016/j.saa.2024.125369
Dexing Zhou, Shuhong Wang, Jun Li, Yaxun Zhou
{"title":"∼2 μm broadband luminescence in Tm3+/Ho3+/Er3+-doped tellurite glass","authors":"Dexing Zhou,&nbsp;Shuhong Wang,&nbsp;Jun Li,&nbsp;Yaxun Zhou","doi":"10.1016/j.saa.2024.125369","DOIUrl":"10.1016/j.saa.2024.125369","url":null,"abstract":"<div><div>Improving the broadband luminescent properties in ∼2 μm band has always been a serious challenge. This paper proposed a Tm<sup>3+</sup>, Ho<sup>3+</sup> and Er<sup>3+</sup> doped combination in tellurite glass, which was synthesized through melt-quenching and characterized by a series of physical and spectral tests. Firstly, tellurite glass of Tm<sup>3+</sup>–Ho<sup>3+</sup> co-doping produced a ∼2 μm broadband luminescence ranging from 1570 to 2200 nm with FWHM (full width at half maximum) of 379 nm under 808 nm pumping. This broadband luminescence originated from <sup>3</sup>F<sub>4</sub> to <sup>3</sup>H<sub>6</sub> level transition of Tm<sup>3+</sup> and <sup>5</sup>I<sub>7</sub> to <sup>5</sup>I<sub>8</sub> level transition of Ho<sup>3+</sup>. Furthermore, after adding an appropriate amount of Er<sup>3+</sup>, the luminescent intensity was improved by 116 %, mainly attributed to the direct or indirect energy transfers from Er<sup>3+</sup> to Tm<sup>3+</sup> and Ho<sup>3+</sup> ions. Calculations of Judd-Ofelt spectroscopic parameters and gain cross-sections supported the results obtained from Tm<sup>3+</sup>/Ho<sup>3+</sup>/Er<sup>3+</sup> doped tellurite glass in ∼2 μm band. In addition, DSC (differential scanning calorimetry) curves exhibited excellent thermal stability, XRD (X-ray diffraction) patterns and Raman spectra disclosed the non-crystalline and network structural units of the synthesized tellurite glasses. The findings in this work demonstrate that tellurite glass with Tm<sup>3+</sup>, Ho<sup>3+</sup> and Er<sup>3+</sup> combination is an efficient strategy which can be applied in ∼2 μm band ultra-short pulse lasers and broadband amplifiers.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125369"},"PeriodicalIF":4.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A near infrared fluorescent probe for hypoxia based on dicyanoisophorone and its application in Hela cells imaging 基于二氰异佛尔酮的缺氧近红外荧光探针及其在 Hela 细胞成像中的应用。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-04 DOI: 10.1016/j.saa.2024.125383
Hong-Yuan Luo , Wei-Qi Lin , Shan-Shan Zhu , Shuang-Ying Yang , Ting-Xiu Ye , Fei Qin , Chuan Chen
{"title":"A near infrared fluorescent probe for hypoxia based on dicyanoisophorone and its application in Hela cells imaging","authors":"Hong-Yuan Luo ,&nbsp;Wei-Qi Lin ,&nbsp;Shan-Shan Zhu ,&nbsp;Shuang-Ying Yang ,&nbsp;Ting-Xiu Ye ,&nbsp;Fei Qin ,&nbsp;Chuan Chen","doi":"10.1016/j.saa.2024.125383","DOIUrl":"10.1016/j.saa.2024.125383","url":null,"abstract":"<div><div>Hypoxia will accelerate tumors metastasis and deterioration, thereby limiting the effects of chemotherapy or radiotherapy. Thus, developing efficient techniques for detecting hypoxia in tumor cells is extremely important for cancer diagnosis and therapy. In this work, we reported a dicyanoisophorone-based probe (DCI-Azo) that specifically switched on its near infrared emission with hypoxia up-regulated azo-reductase (AzoR). In order to reduce the difficulty of synthesis and simplify the post-processing process, we adopted a one-pot-synthesis method to synthesized NIR fluorophore (DCI-Am) with yield 97 %. Based on the fluorophore, DCI-Azo was designed and synthesized. The sensitivity of DCI-Azo for hypoxia <em>in vitro</em> was evaluated with Na<sub>2</sub>S<sub>2</sub>O<sub>4</sub> and rat liver microsomes. It exhibited near-infrared emission (λ<sub>em</sub> = 650 nm), large Stokes Shift (&gt;160 nm), high sensitivity (LOD 0.53 μg mL<sup>−1</sup> rat liver microsomes), high selectivity, and low cytotoxicity (cell viability &gt; 80 % after incubation for 24 h). Moreover, the probe was successfully used for detecting hypoxia (1% O<sub>2</sub>) in Hela cells and tumor tissue in mouse model. The fluorescence intensity in Hela cells has increased ∼ 26-fold when the oxygen level is reduced to 1 % from 21 % O<sub>2</sub>. The fluorescence intensity of the tumor area enhanced ∼ 5 folds compared to the normal area nearby. All these features demonstrated that the probe DCI-Azo was a versatile tool for <em>in vivo</em> assay and imaging for cancer diagnosis studies.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125383"},"PeriodicalIF":4.3,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640512","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Colorimetric and fluorometric sensing of polar E120 in juice and environmental water samples using mannitol-functionalized magnetic nanoparticles and nitrogen-doped carbon dots 利用甘露醇功能化磁性纳米粒子和掺氮碳点对果汁和环境水样中的极性 E120 进行比色和荧光检测。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-03 DOI: 10.1016/j.saa.2024.125380
Samer S. Aburub , Nurul Y. Rahim , Ashraf M. Mahmoud , Farhatun N. Maluin
{"title":"Colorimetric and fluorometric sensing of polar E120 in juice and environmental water samples using mannitol-functionalized magnetic nanoparticles and nitrogen-doped carbon dots","authors":"Samer S. Aburub ,&nbsp;Nurul Y. Rahim ,&nbsp;Ashraf M. Mahmoud ,&nbsp;Farhatun N. Maluin","doi":"10.1016/j.saa.2024.125380","DOIUrl":"10.1016/j.saa.2024.125380","url":null,"abstract":"<div><div>In this study, mannitol-functionalized magnetic nanoparticles (MMNPs) as a unique nanosorbent and N-doped fluorescent carbon dots (N-CDs) as a cost-effective nanosensor were created and utilized, for the first time, for dispersive micro-solid-phase extraction (Dµ-SPE) to determine carmine (E120) dye in water samples and juices. The modification of the magnetic nanoparticles with mannitol was designed to enhance the responsive potential for adsorption of the polar E120 dye from complex sample matrices through electrostatic interaction. The as-fabricated N-CDs fluorescent probe exhibited a high fluorescence quantum yield (Φs) of 43.1 %, allowing for accurate fluorometric detection of E120 dye. The as-synthesized MMNPs nanosorbent and fluorescent N-CDs nanoprobe were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), energy dispersive X-ray (EDX), thermogravimetric analysis (TGA), and vibrating-sample magnetometer (VSM). Density functional theory (DFT) studied the E120 dye structure using Gaussian 09 to explore the interactions between E 120 dye molecules and MMNPs/N-CDs. The impact of the critical adsorption and detection experimental factors was investigated and adjusted. A minimal amount of MMNPs nanosorbent (150 mg) is sufficient for E120 extraction in an acceptable time of 15 min. Furthermore, with a high determination coefficient, the adsorption characteristics fit with the models of Langmuir isotherm and first-order kinetics. The maximum adsorption capacity (qm) of the as-fabricated MMNPs was 87.7 mg.g<sup>−1</sup>. After adsorption, E120 dye was fluorometrically analyzed using nitrogen-doped carbon dots as a fluorescent nanosensor via the inner filter effect (IFE) mechanism. Under the optimized conditions, the proposed fluorometric procedures showed a linear increase in the fluorescence ratio with increasing the E120 concentration in the range of 1.0 – 160.0 μg.mL<sup>−1</sup> with detection (LOD) and quantitation (LOQ) limits of 0.27 and 0.83 μg.mL<sup>−1</sup>, respectively. The relative standard deviation (%RSD) did not exceed 2.34 %. The proposed methodology was successfully applied to determine E120 dye in juice and environmental water samples with % recovery ranged from 89.2-106.1 % and 92.9–107.2 %, respectively offering a reliable and environmentally friendly alternative to traditional detection methods with potential applications across various industries.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125380"},"PeriodicalIF":4.3,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635424","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Determination of aflatoxin B1 in wheat using Raman spectroscopy combined with chemometrics 利用拉曼光谱结合化学计量学测定小麦中的黄曲霉毒素 B1。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-03 DOI: 10.1016/j.saa.2024.125384
Congli Mei , Ziyu Wang , Hui Jiang
{"title":"Determination of aflatoxin B1 in wheat using Raman spectroscopy combined with chemometrics","authors":"Congli Mei ,&nbsp;Ziyu Wang ,&nbsp;Hui Jiang","doi":"10.1016/j.saa.2024.125384","DOIUrl":"10.1016/j.saa.2024.125384","url":null,"abstract":"<div><div>Aflatoxin B1 (AFB1) is carcinogenic and highly susceptible to production in wheat. In this study, the quantitative detection of contaminant AFB1 in wheat was investigated by Raman spectroscopy combined with chemometric method realization. Firstly, Savitzky–Golay smoothing (SG) and baseline calibration methods were used to perform the necessary preprocessing of the collected raw Raman spectra. Then, three variable optimization methods, i.e., competitive adaptive reweighted sampling (CARS), iteratively variable subset optimization (IVSO), and bootstrap soft shrinkage (BOSS), were applied to the preprocessed wheat Raman spectra. Finally, partial least squares regression (PLSR) models were developed to determine AFB1 in wheat samples. The results showed that all three variable optimization algorithms significantly improved the predictive performance of the models. The BOSS-PLSR model has strong generalization performance and robustness. Its prediction coefficient of determination (<span><math><mrow><msubsup><mi>R</mi><mrow><mi>P</mi></mrow><mn>2</mn></msubsup></mrow></math></span>) was 0.9927, the root mean square error of prediction (RMSEP) was 2.4260 <span><math><mrow><mi>μ</mi><mi>g</mi></mrow></math></span>/kg, and the relative prediction deviation (RPD) was 11.5250, respectively. In conclusion, the combination of Raman spectroscopy and chemometrics can realize the rapid quantitative detection of AFB1 in wheat.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125384"},"PeriodicalIF":4.3,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142585127","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Probing the interactions of genistein with HMGB1 through multi-spectroscopic and in-silico approaches 通过多光谱和内科学方法探究染料木素与 HMGB1 的相互作用。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-03 DOI: 10.1016/j.saa.2024.125385
Yi Kuang , Pingping Shen , Junyi Ye , Richa Raj , Haixia Ge , Boyang Yu , Jian Zhang
{"title":"Probing the interactions of genistein with HMGB1 through multi-spectroscopic and in-silico approaches","authors":"Yi Kuang ,&nbsp;Pingping Shen ,&nbsp;Junyi Ye ,&nbsp;Richa Raj ,&nbsp;Haixia Ge ,&nbsp;Boyang Yu ,&nbsp;Jian Zhang","doi":"10.1016/j.saa.2024.125385","DOIUrl":"10.1016/j.saa.2024.125385","url":null,"abstract":"<div><div>Functional regulation of proteins by ligand–protein interactions plays a crucial role in understanding biological processes and identifying potential drugs. High mobility group box 1 (HMGB1) plays a pivotal role in sterile inflammation as a key immunomodulatory protein. Genistein, a well-known isoflavone compound, has been shown to have neuroprotective effects. In this study, we investigated the genistein-HMGB1 interactions using experimental and computational approaches. Our results revealed that genistein binds to HMGB1 with a KD value of 6.06 × 10<sup>−5</sup> M. The addition of genistein significantly quenched the fluorescence of HMGB1. Thermodynamic analyses demonstrated that hydrogen bonds and hydrophobic forces are the primary forces during the binding process. Furthermore, the interaction between genistein and HMGB1 led to changes in the microenvironment of protein chromogenic amino acids and subtle alterations in the protein secondary structure. Molecular modeling results indicate that Pro95, Pro98, and Lys154 are the major amino acid residues for genistein binding to HMGB1. Meanwhile, at the cellular level, an inhibitory effect of genistein on HMGB1-induced NO release from microglia was observed, demonstrating an inhibition rate of 42.1 %. Our studies demonstrated that genistein could be applied in treating neurological diseases through its interaction with HMGB1.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125385"},"PeriodicalIF":4.3,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635470","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A selective resonance Rayleigh scattering method for determination of iodine by graphene oxide surface molecularly imprinted polyacrylamide probe 利用氧化石墨烯表面分子印迹聚丙烯酰胺探针测定碘的选择性共振瑞利散射法。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-03 DOI: 10.1016/j.saa.2024.125389
Xiaoying Huang , Yumei Li , Qianmiao Chen , Aihui Liang , Zhiliang Jiang
{"title":"A selective resonance Rayleigh scattering method for determination of iodine by graphene oxide surface molecularly imprinted polyacrylamide probe","authors":"Xiaoying Huang ,&nbsp;Yumei Li ,&nbsp;Qianmiao Chen ,&nbsp;Aihui Liang ,&nbsp;Zhiliang Jiang","doi":"10.1016/j.saa.2024.125389","DOIUrl":"10.1016/j.saa.2024.125389","url":null,"abstract":"<div><div>A new graphene oxide nanosurface molecularly imprinted polymer (GO@MIP) probe was synthesized by microwave irradiation, using graphene oxide (GO) as the carrier, iodine as the template molecule, acrylamide as the functional monomer, ethylene glycol dimethacrylate (EGDMA) as the crosslinking agent, azodiisobutyronitrile (AIBN) as the initiator, and acetonitrile as the pore forming agent. The nanoprobe recognizes the iodine, and exhibits significant resonance Rayleigh scattering energy transfer (RRS-ET) effect between iodine as the acceptor and the nanoprobe as donor. When iodine concentration was in the linear range of 0.02–0.5 mmol/L, the decreased RRS intensity was linear to the concentration. And it was used for the determination of iodine in water samples and iodate ions in salt samples.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"327 ","pages":"Article 125389"},"PeriodicalIF":4.3,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142607846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ratiometric fluorescent capillary sensor for real-time dual-monitoring of pH and O2 fluctuation 用于实时双重监测 pH 和氧气波动的比率荧光毛细管传感器。
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-03 DOI: 10.1016/j.saa.2024.125388
Zhe Li , Xiaohui Wang , Xiuli Fu , Jinhua Liu , Yuanan Liu , Hongxin Zhang
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