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

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Structural and spectroscopic analysis of K2Y(WO4)(PO4):Sm3+,Tb3+ phosphors for optical applications 光学用K2Y(WO4)(PO4):Sm3+,Tb3+荧光粉的结构和光谱分析
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-19 DOI: 10.1016/j.saa.2025.126269
Esarat J. Ansari , Shruti Patle , Ashvini R. Pusdekar , Nilesh S. Ugemuge , Ashish Selokar
{"title":"Structural and spectroscopic analysis of K2Y(WO4)(PO4):Sm3+,Tb3+ phosphors for optical applications","authors":"Esarat J. Ansari ,&nbsp;Shruti Patle ,&nbsp;Ashvini R. Pusdekar ,&nbsp;Nilesh S. Ugemuge ,&nbsp;Ashish Selokar","doi":"10.1016/j.saa.2025.126269","DOIUrl":"10.1016/j.saa.2025.126269","url":null,"abstract":"<div><div>A series of singly and co-doped K<sub>2</sub>Y(WO<sub>4</sub>)(PO<sub>4</sub>):Sm<sup>3+</sup>,Tb<sup>3+</sup> (KYWP) phosphors were synthesized by solid-state reaction (SSR) route, and its photoluminescence (PL) behavior in visible region have been studied. The compound K<sub>2</sub>Y(WO<sub>4</sub>)(PO<sub>4</sub>) formed by combination of tetrahedral anions such as WO<sub>4</sub> and PO<sub>4</sub> are good hosts for phosphor due to their easy-synthesis procedure, low-cost, chemical stability and thermal-stabilities over a wide range of temperatures. X-ray diffraction pattern confirms the orthorhombic crystal system with a space group of Ibca No. (73). SEM, EDS and Elemental mapping confirm the morphology and constituent of elements present in as prepared sample. Under 404 nm excitation, the dominant emission for Sm<sup>3+</sup> doped K<sub>2</sub>Y(WO<sub>4</sub>)(PO<sub>4</sub>) obtained at 604 nm corresponds to the <sup>4</sup>G<sub>5/2</sub> → <sup>6</sup>H<sub>7/2</sub> transition. For Tb<sup>3+</sup> ions, emissions obtained at 546 nm attributed to <sup>5</sup>D<sub>4</sub> → <sup>7</sup>F<sub>6</sub> for the excitation of 377 nm. The Sm<sup>3+</sup> and Tb<sup>3+</sup> co-doped K<sub>2</sub>Y(WO<sub>4</sub>)(PO<sub>4</sub>) samples give intense orange-red light when excited at 404 nm, with the optimal concentration of 2 mol% and 5 mol% of Sm<sup>3+</sup> and Tb<sup>3+</sup> ions respectively. Also, the intense green color is observed at 377 nm excitation for 2 mol% of Sm<sup>3+</sup> and Tb<sup>3+</sup> ion doping. The color coordinates of prepared samples were also clearly displayed in this work. The results indicate that ET between sensitizer and activator (Tb<sup>3+</sup> <span><math><mo>↔</mo></math></span> Sm<sup>3+</sup>) is beneficial to improve the luminescence properties of activator (Sm<sup>3+</sup> and Tb<sup>3+</sup>). All these results confirm the promising application of as prepared phosphors for light emitting diodes, colour tunable phosphor and other opto-electronic devices.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126269"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860551","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
Monitoring cellular human breast adenocarcinoma cells’ response to xanthophylls by label-free Raman spectroscopy and imaging 利用无标记拉曼光谱和成像技术监测人乳腺腺癌细胞对叶黄素的反应
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-19 DOI: 10.1016/j.saa.2025.126263
Karolina Jarczewska, Monika Kopeć, Jakub Maciej Surmacki
{"title":"Monitoring cellular human breast adenocarcinoma cells’ response to xanthophylls by label-free Raman spectroscopy and imaging","authors":"Karolina Jarczewska,&nbsp;Monika Kopeć,&nbsp;Jakub Maciej Surmacki","doi":"10.1016/j.saa.2025.126263","DOIUrl":"10.1016/j.saa.2025.126263","url":null,"abstract":"<div><div>For years, xanthophylls have been recognized for their potential in medicine. Evidence supports the role of diets rich in algae, fruits, and vegetables in preventing cancer. Due to the complexity of the human body, numerous mechanisms could explain the health benefits of xanthophylls. Various studies have explored their effects on specific diseases. However, the impact of certain xanthophylls, such as crocetin, crocin, and fucoxanthin, on aggressive breast cancer remains unclear. To address this, we examined their effects on human breast adenocarcinoma (MDA-MB-231 cells) using Raman spectroscopy and imaging. Our findings revealed that crocetin enhances cancer cell viability by increasing lipid and protein levels, suggesting it does not directly inhibit tumour growth. Crocin redirected cellular metabolism towards lipid accumulation, shown by increased Raman signals at 1444 cm<sup>−1</sup> in lipid droplets/endoplasmic reticulum. Fucoxanthin demonstrated the greatest potential, reducing lipid and protein levels (Raman bands at 1254, 1444, 1654 cm<sup>−1</sup>), thereby inhibiting adenocarcinoma progression.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126263"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860554","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
Acoustic shock wave-induced onset non-distortion-to-distortion type phase transition in siderite (FeCO3) with the absence of spin-state transition: X-ray diffraction and Raman spectroscopic approach 没有自旋态转变的菱铁矿(FeCO3)中声激波诱导的非畸变到畸变型相变:x射线衍射和拉曼光谱方法
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-19 DOI: 10.1016/j.saa.2025.126234
Sivakumar Aswathappa , Lidong Dai , Sahaya Jude Dhas Sathiyadhas , Raju Suresh Kumar
{"title":"Acoustic shock wave-induced onset non-distortion-to-distortion type phase transition in siderite (FeCO3) with the absence of spin-state transition: X-ray diffraction and Raman spectroscopic approach","authors":"Sivakumar Aswathappa ,&nbsp;Lidong Dai ,&nbsp;Sahaya Jude Dhas Sathiyadhas ,&nbsp;Raju Suresh Kumar","doi":"10.1016/j.saa.2025.126234","DOIUrl":"10.1016/j.saa.2025.126234","url":null,"abstract":"<div><div>At the beginning of the 21st century, tabletop shock tubes were introduced in dealing with the condensed matter research covering materials of various dimensions ranging from nano to macro such that their structural stabilities have been investigated under extreme-conditions which have flourished in the recent past gaining tremendous amount of interest from material scientists and mineralogist thereby the obtained spectral outcomes in structural transitions aspects have sparked considerable impact. However, to date, a systematic correlation between the acoustic shock-wave impact and static compression experimental results has not been arrived at efficiently. Hence, a lot of experimental results are highly required to gain a better understanding of these two techniques. In the present work, we report the crystallographic structural stability of siderite (FeCO<sub>3</sub>) single crystal under acoustic shocked-conditions with a transient shock pressure of 2.0 MPa by <em>ex-situ</em> mode. The impact of shock waves has been examined by X-ray diffraction and Raman spectroscopic techniques. From the analyzed diffraction results, it is observed that the onset of non-distortion-to-distortion type phase-transition has occurred at the 4th shocked condition without any spin transition of Fe<sup>2+</sup>. Raman spectral results also have come up with similar outcomes by the reduction of the peak symmetry of the A<em><sub>1g</sub></em> Raman band and band splitting of the lattice T-mode. Note that, under static-compression (Zang <em>et al</em>., Geosci. Front. 16 (2025) 101918), the peak symmetry of the A<em><sub>1g</sub></em> Raman band remains constant up to 16.9 GPa. The singlet of the lattice T-mode remains the same up to 7.1 GPa and it is converted into a doublet band at 10.4 GPa. From the observed results, it is clear that the acoustic shock waves can initiate significant lattice deformations and transitions with a very low transit pressure. Hence, we strongly believe that the acoustic shock wave experiments on minerals can bring out a lot of new implications about the structural stability aspects under static and dynamic loading conditions which will be an open source to comprehend many more new minerals in the upcoming years.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126234"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860552","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
Development of a near-infrared fluorescent probe for in situ monitoring of hydrogen peroxide in plants 植物过氧化氢原位监测近红外荧光探针的研制
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-19 DOI: 10.1016/j.saa.2025.126267
Zichun Jin, Linxiao Song, Xiuzhu Yang, Yue Wang, Na Niu, Ligang Chen
{"title":"Development of a near-infrared fluorescent probe for in situ monitoring of hydrogen peroxide in plants","authors":"Zichun Jin,&nbsp;Linxiao Song,&nbsp;Xiuzhu Yang,&nbsp;Yue Wang,&nbsp;Na Niu,&nbsp;Ligang Chen","doi":"10.1016/j.saa.2025.126267","DOIUrl":"10.1016/j.saa.2025.126267","url":null,"abstract":"<div><div>In plants, hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), one of the significant reactive oxygen species, plays a dual function. Investigating its concentration is essential for understanding its production and scavenging mechanisms in plants. In this study, a near-infrared fluorescent probe (Cy-Bo) was developed, which is based on the hemicyanine compound. By introducing indole salts into the oxygenated anthraquinone structure, the conjugated system is expanded, enabling the probe to emit long-wavelength fluorescence in the near-infrared region, thereby minimizing interference from other biomolecules in plant tissues (λ<sub>ex</sub> = 650 nm, λ<sub>em</sub> = 720 nm). As for the specific recognition of H<sub>2</sub>O<sub>2</sub>, the pinacol phenylborate ester was selected to be the recognition group. It shows good linearity (R<sup>2</sup> = 0.998) in the concentration range of 0.5–100 μM, with a detection limit of 0.07 μM. Furthermore, this probe Cy-Bo has been used for in vivo fluorescence imaging in plants due to its good bio-penetration and in-situ imaging capabilities. The results reveal a significant increase in H<sub>2</sub>O<sub>2</sub> concentration in <em>Arabidopsis thaliana</em> under progressively increasing drought, high-temperature, and salt stress. This tool provides a non-invasive, in situ imaging method for detecting H<sub>2</sub>O<sub>2</sub> in plants, which has a fast response, easy operation, and high sensitivity. It enables visual monitoring of H<sub>2</sub>O<sub>2</sub> fluctuations and aids in advancing physiological and pathological studies related to H<sub>2</sub>O<sub>2</sub>.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126267"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860553","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
Development of a simple SERS substrate for the detection of pollutants and nanoplastics 用于检测污染物和纳米塑料的简单SERS衬底的开发
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-19 DOI: 10.1016/j.saa.2025.126255
Lara Mikac , Hrvoje Gebavi , Justin Perrault , Mile Ivanda
{"title":"Development of a simple SERS substrate for the detection of pollutants and nanoplastics","authors":"Lara Mikac ,&nbsp;Hrvoje Gebavi ,&nbsp;Justin Perrault ,&nbsp;Mile Ivanda","doi":"10.1016/j.saa.2025.126255","DOIUrl":"10.1016/j.saa.2025.126255","url":null,"abstract":"<div><div>This study investigates the development and characterisation of Ag- and Au-coated silicon filter substrates developed for surface-enhanced Raman spectroscopy (SERS) applications. Silver nanoparticles were synthesised by immersing silicon filters in an AgNO<sub>3</sub> solution, with the immersion time playing a crucial role in nanoparticle distribution and SERS efficiency. The highest performance was observed at an immersion time of 30–60 min and allowed the detection of 4-mercaptobenzoic acid (4-MBA) at nanomolar concentrations. To improve stability and tunability, gold was sputtered onto the Ag-coated substrates. Optimal performance was achieved with 6 min of Au sputtering, which allowed picomolar sensitivity for 4-MBA and micromolar detection of melamine. These substrates were further tested for the detection of polystyrene (PS) and polyethylene (PE) nanoplastic particles by Raman mapping with particles down to 50 nm. The successful identification showed great potential for the micro-Raman analysis of nanomaterials. The results emphasise the high sensitivity, versatility and ease of production of the SERS substrates and highlight their potential for applications in environmental and food monitoring, especially for the detection of nanoplastics.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126255"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877411","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
Exploring molecular interactions and dielectric relaxation in n-octanol/DMF binary mixtures: a machine learning-enhanced VNA study 探索正辛醇/DMF二元混合物中的分子相互作用和介电弛豫:一种机器学习增强的VNA研究
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-19 DOI: 10.1016/j.saa.2025.126271
N.A. Chaudhary , Prince Jain , Sanketsinh Thakor , V.A. Rana , A.N. Prajapati
{"title":"Exploring molecular interactions and dielectric relaxation in n-octanol/DMF binary mixtures: a machine learning-enhanced VNA study","authors":"N.A. Chaudhary ,&nbsp;Prince Jain ,&nbsp;Sanketsinh Thakor ,&nbsp;V.A. Rana ,&nbsp;A.N. Prajapati","doi":"10.1016/j.saa.2025.126271","DOIUrl":"10.1016/j.saa.2025.126271","url":null,"abstract":"<div><div>The complex permittivity spectra (CPS) of n-Octanol and N, N-Dimethylformamide (DMF) mixtures were examined over the entire concentration range (0.0 → 1.0) and within the frequency range of 200 MHz to 20 GHz, utilizing a vector network analyzer (VNA) at 303.15 K. The complex permittivity data were fitted to various dielectric relaxation models using a complex nonlinear least squares method. The Cole-Cole model was applied to analyze the permittivity spectra, allowing for the determination of the static dielectric constant (ε<sub>0</sub>), relaxation strength (Δε), and relaxation time (τ<sub>d</sub>). The excess static dielectric constant (ε<sub>0</sub>)<sup>E</sup> and excess inverse relaxation time (1/τ<sub>d</sub>)<sup>E</sup> were also calculated and fitted using the Redlich-Kister polynomial. Various dielectric parameters, such as the Kirkwood correlation factor (g<sup>eff</sup>, g<sup>f</sup>) and Bruggeman parameter (f<sub>B</sub>), were evaluated to explore molecular interactions and structural characteristics within the binary mixtures. The concentration dependence of the dielectric relaxation parameters provided insights into the molecular interactions between the components of the mixtures. In addition to traditional analysis, machine learning models were applied to predict the dielectric properties (ε′ and ε″) of the mixtures across the frequency and concentration ranges. Models such as LightGBM, MLP Neural Network, and Gradient Boosting were employed, and their performance was evaluated using cross-validation techniques. LightGBM achieved the best predictive accuracy, closely followed by ensemble averaging methods. These models provided an efficient approach to predicting dielectric properties, reducing the need for extensive experimental measurements. This integration of experimental data and machine learning not only offered accurate predictions but also accelerated the characterization process, making it a valuable approach for studying dielectric behavior in complex liquid systems.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126271"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882392","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
Fluorescent carbon-based nanoparticles with dual-emission for sensing metal ions under various pH environments 具有双发射的碳基荧光纳米颗粒在不同pH环境下传感金属离子
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-18 DOI: 10.1016/j.saa.2025.126264
Zhao Fang , Peng Jiaolong , Wang Xinrui , Zhou Wei
{"title":"Fluorescent carbon-based nanoparticles with dual-emission for sensing metal ions under various pH environments","authors":"Zhao Fang ,&nbsp;Peng Jiaolong ,&nbsp;Wang Xinrui ,&nbsp;Zhou Wei","doi":"10.1016/j.saa.2025.126264","DOIUrl":"10.1016/j.saa.2025.126264","url":null,"abstract":"<div><div>Reactive dye alizarin red and <em>ortho</em>-phenylenediamine as raw materials, a novel carbon-based nanoparticle with dual-emission at 419 nm and 550 nm (DE-CNPs) was successfully synthesized through a hydrothermal process. The DE-CNPs exhibited distinct anti-quenching against extreme pH environments, and the integrated fluorescence color performed obvious pH dependence due to the alternating dominating of duel emissions. Besides qualified as a pH probe, the DE-CNPs were found further with high sensitivity and certain specificity for detecting metal ions in acid, base, or salt solutions. Typically, in a neutral aqueous solution, the initial yellow fluorescence transferred to blue for Cu<sup>2+</sup>/Pb<sup>2+</sup>/Cr<sup>3+</sup>, to white for Ag<sup>+</sup>/Fe<sup>3+</sup>, and to red for Al<sup>3+</sup>. Furthermore, gelatin was used as a restrictive matrix, and the DE-CNPs were embedded into the hydrogel network through physical cross-linking technology. Compared with nanoparticles, the hydrogel assembly (DE-CNPs@Gel) not only reserved original responding characteristics for detecting pH and metal ions, but also possessed better dispersity and processability as a practical candidate for the quality monitoring of water and soil.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126264"},"PeriodicalIF":4.3,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143870731","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
Facile quantification of free and total sulphur dioxide in beer using a flavylium-based fluorescent probe 用黄基荧光探针测定啤酒中游离二氧化硫和总二氧化硫的简便定量
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-18 DOI: 10.1016/j.saa.2025.126199
Weijie Wu, Hongbo He, Jiaqi Lv, Yiqiang Yang, Yanfang Li, Wencai Huang
{"title":"Facile quantification of free and total sulphur dioxide in beer using a flavylium-based fluorescent probe","authors":"Weijie Wu,&nbsp;Hongbo He,&nbsp;Jiaqi Lv,&nbsp;Yiqiang Yang,&nbsp;Yanfang Li,&nbsp;Wencai Huang","doi":"10.1016/j.saa.2025.126199","DOIUrl":"10.1016/j.saa.2025.126199","url":null,"abstract":"<div><div>Accurate and convenient determination of free and total sulphur dioxide (SO<sub>2</sub>) in beer is pivotal to guarantee the quality of beer, but the traditional assay methods are laborious, time-consuming, and dependent on experienced technician. In this study, we designed and synthesized a flavylium-based fluorescent probe <strong>Hy-S</strong> which exhibited selective response to SO<sub>2</sub> under both acidic conditions (pH = 4.0) and basic conditions (pH = 9.0) with low detection limits of 0.076 mg/L and 0.041 mg/L, respectively. The real beer samples were directly assayed to obtain the free SO<sub>2</sub> by the probe-based method while the samples were basified and diluted before spectral measurements to determine the total SO<sub>2</sub>. Due to the advantages of fast response, convenience, accuracy and greenness, the probe-based method possesses great potential for quantification of both free and total SO<sub>2</sub> in beer.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126199"},"PeriodicalIF":4.3,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143870732","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
On the behavior of Hoechst 33258 in DNA-PEG mixtures Hoechst 33258在DNA-PEG混合物中的行为研究
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-18 DOI: 10.1016/j.saa.2025.126272
Vladimir N. Morozov , Mikhail A. Klimovich , Maria A. Kolyvanova , Vladimir A. Kuzmin
{"title":"On the behavior of Hoechst 33258 in DNA-PEG mixtures","authors":"Vladimir N. Morozov ,&nbsp;Mikhail A. Klimovich ,&nbsp;Maria A. Kolyvanova ,&nbsp;Vladimir A. Kuzmin","doi":"10.1016/j.saa.2025.126272","DOIUrl":"10.1016/j.saa.2025.126272","url":null,"abstract":"<div><div>Most of the studies on the interaction of fluorescent dyes with DNA have been performed under conditions radically different from those occurring <em>in situ</em>. Among others, this includes diluteness of experimental solutions, their homogeneity, and presence of a large amount of free water. To a certain extent, some model systems can help to approach the biological conditions. Thus, since some features of liquid-crystalline-like packaging of DNA were found in a number of living systems, to shed light on the behavior of Hoechst 33258 in biological-like conditions, we performed a detailed study of its properties in DNA-PEG mixtures, and, in particular, in the dispersed mesophases formed via polymer and salt induced (<em>psi</em>-) condensation. Being in complex with DNA, Hoechst 33258 shows a high sensitivity to the changes in osmotic conditions – the addition of PEG leads to a release of the dye molecules. However, this effect nonlinearly depends on osmolality. Individually, neither PEG nor NaCl at the studied concentrations significantly affect its complex with nucleic acid. The effect is caused precisely by their synergistic action. In cases of the dispersed systems formation, significant fraction of Hoechst 33258 molecules is retained within the resulting particles and is protected even from further increase in osmolality. This is partly due to competition between the processes of the dye releasing and formation of the dispersed particles.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126272"},"PeriodicalIF":4.3,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143870904","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
Exploring the binding mechanism of parabens to transthyretin: An integrated analysis using multi-spectral and computational simulation techniques 探索对羟基苯甲酸酯与甲状腺素的结合机制:采用多光谱和计算模拟技术的综合分析
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-18 DOI: 10.1016/j.saa.2025.126265
Cancan Li, Zeyu Song, Xiaomei Huang, Yanhong Zheng, Chunke Nong, Tinghao Jiang, Zhanji Li, Hongyan Liu, Zhongsheng Yi
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