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

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Comprehensive assessment of the role of spectral data pre-processing in spectroscopy-based liquid biopsy 光谱数据预处理在基于光谱的液体活检中的作用的综合评估
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.2025.126261
Ondřej Vrtělka, Kateřina Králová, Markéta Fousková, Vladimír Setnička
{"title":"Comprehensive assessment of the role of spectral data pre-processing in spectroscopy-based liquid biopsy","authors":"Ondřej Vrtělka,&nbsp;Kateřina Králová,&nbsp;Markéta Fousková,&nbsp;Vladimír Setnička","doi":"10.1016/j.saa.2025.126261","DOIUrl":"10.1016/j.saa.2025.126261","url":null,"abstract":"<div><div>Spectroscopic data often contain artifacts or noise related to the sample characteristics, instrumental variations, or experimental design flaws. Therefore, classifying the raw data is not recommended and might lead to biased results. Nevertheless, most issues may be addressed through appropriate data pre-processing. Effective pre-processing is particularly crucial in critical applications like liquid biopsy for disease detection, where even minor performance improvements may impact patient outcomes. Unfortunately, there is no consensus regarding optimal pre-processing, complicating cross-study comparisons.</div><div>This study presents a comprehensive evaluation of various pre-processing methods and their combinations to assess their influence on classification results. The goal was to identify whether some pre-processing methods are associated with higher classification outcomes and find an optimal strategy for the given data. Data from Raman optical activity and infrared and Raman spectroscopy were processed, applying tens of thousands of possible pre-processing pipelines. The resulting data were classified using three algorithms to distinguish between subjects with liver cirrhosis and those who had developed hepatocellular carcinoma.</div><div>Results highlighted that some specific pre-processing methods often ranked among the best classification results, such as the Rolling Ball for correcting the baseline of Raman spectra or the Doubly Reweighted Penalized Least Squares and Mixture model in the case of Raman optical activity. On the other hand, the selection of filtering and/or normalization approach usually did not have a significant impact. Nonetheless, the pre-processing of top-scoring pipelines also depended on the classifier utilized. The best pipelines yielded an AUROC of 0.775–0.823, varying with the evaluated spectroscopic data and classifier.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126261"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143870146","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
Hypoxic conditions by Raman microspectroscopy – Reprogramming of fatty acids and glucose metabolism during colon cancer progression 拉曼显微光谱学的缺氧条件-结肠癌进展过程中脂肪酸和葡萄糖代谢的重编程
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.2025.126275
Monika Kopeć, Karolina Beton-Mysur, Jakub Surmacki, Beata Brożek-Płuska
{"title":"Hypoxic conditions by Raman microspectroscopy – Reprogramming of fatty acids and glucose metabolism during colon cancer progression","authors":"Monika Kopeć,&nbsp;Karolina Beton-Mysur,&nbsp;Jakub Surmacki,&nbsp;Beata Brożek-Płuska","doi":"10.1016/j.saa.2025.126275","DOIUrl":"10.1016/j.saa.2025.126275","url":null,"abstract":"<div><div>Cellular respiration is the primary metabolic process for producing the energy (ATP) needed for survival. Disruptions in this process can lead to various diseases, including colon cancer. This paper reviews the current understanding of how excess fatty acids (FAs) and glucose (Glc) alter metabolic pathways. We focused on the impact of unsaturated fatty acids (UFAs) (eicosapentaenoic acid (EPA), linoleic acid (LA)), saturated fatty acid (SFA) (palmitic acid (PA)), and glucose on healthy human colon cells (CCD-18 Co) and cancerous colon cells (Caco-2) using Raman microspectroscopy. Our study examined the metabolic abnormalities in mitochondria and lipid droplets caused by the external intake of FAs and glucose. The results indicate that the peaks at 750 cm<sup>−1</sup>, 1004 cm<sup>−1</sup>, 1256 cm<sup>−1</sup>, 1444 cm<sup>−1</sup>, and 1656 cm<sup>−1</sup> can serve as Raman biomarkers for monitoring metabolic pathways in colon cancer. We proved that oxidative metabolism towards glycolysis allows maintaining redox homeostasis and enables the survival and proliferation of cancer cells in hypoxic conditions. Our findings show that comparing control cells with cells supplemented with UFAs, SFA, and glucose can help detect metabolic abnormalities. Specifically, supplementation with UFAs reduces the intensity of the bands at 750 cm<sup>−1</sup> and 1004 cm<sup>−1</sup>, while SFA and glucose increase their intensity. For the bands at 1256 cm<sup>−1</sup>, 1444 cm<sup>−1</sup>, and 1656 cm<sup>−1</sup>, palmitic acid and glucose decrease the intensity, whereas linoleic acid increases it. This paper introduces new experimental techniques, such as Raman microspectroscopy and imaging, to track and understand the metabolic changes in colon cells caused by FAs and glucose under hypoxic conditions.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126275"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860477","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
Evaluation of the diagnostic potential of Fourier transform-infrared spectroscopy on urine for urothelial bladder cancer: an in-hospital field study 傅里叶变换-红外光谱对尿路上皮性膀胱癌诊断潜力的评价:一项院内实地研究
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.2025.126274
Elie Sarkees , Fayek Taha , Imane Oudahmane , Vincent Vuiblet , Stéphane Larré , Olivier Piot
{"title":"Evaluation of the diagnostic potential of Fourier transform-infrared spectroscopy on urine for urothelial bladder cancer: an in-hospital field study","authors":"Elie Sarkees ,&nbsp;Fayek Taha ,&nbsp;Imane Oudahmane ,&nbsp;Vincent Vuiblet ,&nbsp;Stéphane Larré ,&nbsp;Olivier Piot","doi":"10.1016/j.saa.2025.126274","DOIUrl":"10.1016/j.saa.2025.126274","url":null,"abstract":"<div><div>The increasing global incidence of bladder cancer necessitates better diagnostic methods. This study investigates the potential of mid-infrared spectroscopy on fresh urine samples as a non-invasive approach for diagnosing bladder urothelial carcinoma. In order to position our approach as close as possible to real clinical practice, urine samples were collected from patients undergoing cystoscopy in a hospital urology department. The spectral data were analysed using principal component analysis (PCA) and uniform manifold approximation and projection (UMAP). Unsupervised methods did not reveal clear differences between cancerous and non-cancerous samples, supervised models, including support vector machines (SVM) and random forest (RF), were applied to classify patients into cancer and control groups. These models achieved a diagnostic accuracy of approximately 65 %, with a sensitivity of 87 % for high-grade tumours and 100 % for pT2 tumours. Despite these promising results, the overall accuracy remains insufficient for routine clinical use. The inherent variability in urine composition, influenced by factors such as diet and medications, poses challenges in identifying reliable spectroscopic markers. Nonetheless, mid-infrared spectroscopy shows a promising, non-invasive diagnostic approach for bladder cancer. Further research is essential to enhance prediction models and meet the criteria for potential clinical deployment.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126274"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877395","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
SPR-based refractive index sensor design with grated Au-ZnS for dengue detection using machine learning 利用机器学习设计基于spr的光栅Au-ZnS折射率传感器用于登革热检测
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.2025.126276
Ananya Banerjee, Jaisingh Thangaraj
{"title":"SPR-based refractive index sensor design with grated Au-ZnS for dengue detection using machine learning","authors":"Ananya Banerjee,&nbsp;Jaisingh Thangaraj","doi":"10.1016/j.saa.2025.126276","DOIUrl":"10.1016/j.saa.2025.126276","url":null,"abstract":"<div><div>In this paper, we propose a Surface Plasmon Resonance (SPR) fiber optic refractive index (RI) sensor. It consists of a multi-mode fiber (MMF) sensor with a bi-metallic nanostructure with Gold (Au) and Zinc Sulphide (ZnS) as the plasmonic sensing layer. The effect of the design parameter variation is evaluated to achieve the maximum wavelength sensitivity (WS). The testing sample’s RI is taken from 1.34 to 1.40. We found that RI sensitivity varies non-linearly from 9000 to 18,000 nm/RIU. This sensor is additionally capable of detecting the dengue virus with a highest WS of 14285.71 nm/RIU for the infected haemoglobin. Moreover, the incorporation of machine learning (ML) techniques signifies a substantial progression in sensor design. The neural network (NN) model exhibited best performance, with a minimal mean square error (MSE) of 0.2828 and an R<sup>2</sup> value of 0.9998. These algorithms offer flexible adaptation and the derivation of insights based on data, enhancing the sensor’s effectiveness in forecasting resonance wavelength (RW) for various analytes, as well as errors, classification metrics like accuracy, precision, F1_score, and computation duration. Performance metrics such as Detection Accuracy (DA), Figure of Merit (FOM), signal-to-noise ratio (SNR) and quality factor (QF) are also determined having maximum values 14.285 μm<sup>−1</sup>, 158.73 RIU<sup>−1</sup>, 5.55 and 79365.055 nm/RIU respectively. The recommended biosensor, which uses the NN model, performed better than all the other models and may be used to biological applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126276"},"PeriodicalIF":4.3,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143870734","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
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
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
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