Four fluorescent probes based on “proton receptor-spacer1-fluorophore-spacer2-thiol receptor” model were synthesized for simultaneous detection of proton and thiols. The probes were constructed with naphthalimide as the fluorophore, maleimide and N-(2-aminoethyl)morpholine (NLA, NLB)/4-(dimethylamino)benzyl (NLC, NLD) as the receptors for thiol and proton, respectively. The linker length between the thiol receptor and the fluorophore (spacer2) is essential to the selectivity of the probe toward thiols: the probes with a shorter spacer2 (NLA, NLC) exhibited high selectivity to Cys and could image exogenous Cys in L929 cells; while those with a longer linker (NLB, NLD) responded to all three thiols (Cys, GSH and Hcy) and could image lysosomal thiols in living cells. The electron effect of proton receptor affected its electron transfer efficiency to the fluorophore (a-PET), which in turn influenced the response of the probe toward H+. The probes bearing 4-(dimethylamino)benzyl (NLC and NLD) implemented “AND” logical function with thiols and H+ as the inputs, whereas those containing morpholine (NLA and NLB) could be applied as highly selective probes for thiols.
{"title":"Fluorescent probes for simultaneous detection of lysosomal biothiol and proton: Effects of proton receptor and spacer length on the selectivity","authors":"Xiaoxiao Wang, Zhihao Yu, Guangzhu Zhang, Langping Zhou, Yixiao Chen, Weibing Zhang, Junhong Qian","doi":"10.1016/j.saa.2025.127320","DOIUrl":"10.1016/j.saa.2025.127320","url":null,"abstract":"<div><div>Four fluorescent probes based on “proton receptor-spacer<sub>1</sub>-fluorophore-spacer<sub>2</sub>-thiol receptor” model were synthesized for simultaneous detection of proton and thiols. The probes were constructed with naphthalimide as the fluorophore, maleimide and <em>N</em>-(2-aminoethyl)morpholine (NLA, NLB)/4-(dimethylamino)benzyl (NLC, NLD) as the receptors for thiol and proton, respectively. The linker length between the thiol receptor and the fluorophore (spacer<sub>2</sub>) is essential to the selectivity of the probe toward thiols: the probes with a shorter spacer<sub>2</sub> (NLA, NLC) exhibited high selectivity to Cys and could image exogenous Cys in L929 cells; while those with a longer linker (NLB, NLD) responded to all three thiols (Cys, GSH and Hcy) and could image lysosomal thiols in living cells. The electron effect of proton receptor affected its electron transfer efficiency to the fluorophore (<em>a</em>-PET), which in turn influenced the response of the probe toward H<sup>+</sup>. The probes bearing 4-(dimethylamino)benzyl (NLC and NLD) implemented “AND” logical function with thiols and H<sup>+</sup> as the inputs, whereas those containing morpholine (NLA and NLB) could be applied as highly selective probes for thiols.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127320"},"PeriodicalIF":4.6,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749217","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}
Pub Date : 2025-12-07DOI: 10.1016/j.saa.2025.127316
Zilong Gu , Xianteng Meng , Guoxing Hu , Chen Yang , Hui Yi , Changbin Gong , Wenge Yang , Yonghong Hu
Sulfur dioxide and its derivatives have garnered significant attention in the fields of environmental pollution, life sciences, and health. In this study, a series of fluorescent probes (NPB1 ∼ 9) were designed and synthesized. These probes were used for the rapid identification of SO32−. During the reaction process, the red fluorescence changed to blue/green fluorescence, featuring high selectivity, short response time, wide pH adaptability range, and detection limits of 30 nM. The identification mechanism involves a CC addition reaction within the receptor, which alters the intramolecular charge transfer and fluorescence resonance energy transfer effects, resulting in a fluorescence color switch. It has also been successfully applied to the detection of SO32− in various food and water samples, with a recovery rate of 95–115 %. Importantly, NPB6 has low cytotoxicity, good mitochondrial targeting ability, and has been successfully used for the visual fluorescence imaging of endogenous and exogenous SO32− in living cells.
{"title":"Mitochondria-targeted fluorescent probes based on the FRET principle for the detection of sulfite","authors":"Zilong Gu , Xianteng Meng , Guoxing Hu , Chen Yang , Hui Yi , Changbin Gong , Wenge Yang , Yonghong Hu","doi":"10.1016/j.saa.2025.127316","DOIUrl":"10.1016/j.saa.2025.127316","url":null,"abstract":"<div><div>Sulfur dioxide and its derivatives have garnered significant attention in the fields of environmental pollution, life sciences, and health. In this study, a series of fluorescent probes (NPB1 ∼ 9) were designed and synthesized. These probes were used for the rapid identification of SO<sub>3</sub><sup>2−</sup>. During the reaction process, the red fluorescence changed to blue/green fluorescence, featuring high selectivity, short response time, wide pH adaptability range, and detection limits of 30 nM. The identification mechanism involves a C<img>C addition reaction within the receptor, which alters the intramolecular charge transfer and fluorescence resonance energy transfer effects, resulting in a fluorescence color switch. It has also been successfully applied to the detection of SO<sub>3</sub><sup>2−</sup> in various food and water samples, with a recovery rate of 95–115 %. Importantly, NPB6 has low cytotoxicity, good mitochondrial targeting ability, and has been successfully used for the visual fluorescence imaging of endogenous and exogenous SO<sub>3</sub><sup>2−</sup> in living cells.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127316"},"PeriodicalIF":4.6,"publicationDate":"2025-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145746395","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}
Pub Date : 2025-12-06DOI: 10.1016/j.saa.2025.127300
Ana Reyes Pérez , Nuria Gómez Hernández , María del Rosario Blanc García , Teresa Espejo Arias
School maps from the 19th and 20th centuries are a very interesting heritage typology, but they have received little social or cultural recognition. Due to the poor quality of the composition materials of these documents and a lack of concern for studying and safeguarding them, surviving examples are in a deplorable state of preservation.
The purpose of this investigation is to characterise 19th and 20th century school maps as a way to optimise interventions by conservator-restorers. The aim is to study a selection of maps from the University of Granada Archive (Granada, Spain) by collecting microsamples and applying two non-invasive analytical techniques: Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (FTIR-ATR) and X-Ray Fluorescence (XRF).
The FTIR results identified the paper components: calcium carbonate (875 cm−1), kaolin (910 and 758 cm−1), and calcium sulphate, which has a band coinciding with alum (665 cm−1). They also confirmed the use of starch (1145 and 1075 cm−1). XRF detected iron and chlorine, associated with sheet formation and bleaching. The FTIR spectra of the printing identified the binder linseed oil (2920 and 2850 cm−1) and the pigment Prussian blue (2090 cm−1), and XRF confirmed the use of chrome yellow (Pb, Cr) or zinc yellow (Zn, Cr), vermillion (Hg, S) and barite (Ba). The varnish used as protection was not identifiable by FTIR due to the thickness and/or poor state of preservation of the layer. Dammar resin was detected in only two maps.
{"title":"Identifying the components of paper, inks and varnishes in samples of 19TH and 20TH century school maps using non-invasive analytical techniques FTIR-ATR and XRF","authors":"Ana Reyes Pérez , Nuria Gómez Hernández , María del Rosario Blanc García , Teresa Espejo Arias","doi":"10.1016/j.saa.2025.127300","DOIUrl":"10.1016/j.saa.2025.127300","url":null,"abstract":"<div><div>School maps from the 19th and 20th centuries are a very interesting heritage typology, but they have received little social or cultural recognition. Due to the poor quality of the composition materials of these documents and a lack of concern for studying and safeguarding them, surviving examples are in a deplorable state of preservation.</div><div>The purpose of this investigation is to characterise 19th and 20th century school maps as a way to optimise interventions by conservator-restorers. The aim is to study a selection of maps from the University of Granada Archive (Granada, Spain) by collecting microsamples and applying two non-invasive analytical techniques: Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (FTIR-ATR) and X-Ray Fluorescence (XRF).</div><div>The FTIR results identified the paper components: calcium carbonate (875 cm<sup>−1</sup>), kaolin (910 and 758 cm<sup>−1</sup>), and calcium sulphate, which has a band coinciding with alum (665 cm<sup>−1</sup>). They also confirmed the use of starch (1145 and 1075 cm<sup>−1</sup>). XRF detected iron and chlorine, associated with sheet formation and bleaching. The FTIR spectra of the printing identified the binder linseed oil (2920 and 2850 cm<sup>−1</sup>) and the pigment Prussian blue (2090 cm<sup>−1</sup>), and XRF confirmed the use of chrome yellow (Pb, Cr) or zinc yellow (Zn, Cr), vermillion (Hg, S) and barite (Ba). The varnish used as protection was not identifiable by FTIR due to the thickness and/or poor state of preservation of the layer. Dammar resin was detected in only two maps.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127300"},"PeriodicalIF":4.6,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145717220","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}
Pub Date : 2025-12-04DOI: 10.1016/j.saa.2025.127293
Xiulian Yin , Yingjin Li , Xiangfen Xue , Mingjie Wei , Yuxin Xiao , Xianjin Qin , Fan Zhang , Chunmei Li , Qinghua Cao
Detecting pollutants such as electrically neutral aromatic amines in environmental water bodies is a challenging endeavor. Sensing array technique, especially MOF-based fluorescence sensor array, has become the preferred approach due to the unique advantages of MOF sensing elements in providing multiple recognition sites and the multi parameter advantages of fluorescence properties. The multidimensional advantages provided by these features should be further explored and utilized. However, the current optimization efforts are primarily focused on the selection of sensor types, and the methods of signal acquisition and data analysis have not yet received much attention. In this study, we used 3D full range fluorescence scanning to obtain three-dimensional sensing signals and made the quantitative analysis method work best for this kind of information. Three distinct phases of the optimization were conducted taking three non-fluorescent isomers, o-nitroaniline, p-nitroaniline, and m-nitroaniline as detection targets. Initially, based on the internal filtering effect (IFE) sensing mechanism, Zn-MOF-74 was selected and synthesized as the sensor. The optimal dosage was determined and the stability was further investigated. Secondly, signal acquisition was achieved with excitation-emission matrix (EEM) to construct a virtual sensor array (VSA). Thirdly, the qualitative PCA-SVM (principal component analysis-support vector machine) model and quantitative PCA-LUT (lookup table) model, which combine two-stage nonlinear fitting with interpolation, were formulated using the first three principal components as features. The research results suggest that the classification accuracy of a single sample is 97.7 %, binary mixed samples is 76.2 %. And this method also shows good detection results for tap and river water samples. Especially, the PCA-LUT has a stable performance in predicting all three compounds with significantly better MAE and MSE and high analysis efficiency. Compared with neural network method, the advantage of PCA-LUT is that it can be used for limited calibration samples and the analysis process is intuitive with good interpretability. This study provides a construction and optimization case for the fluorescence sensing array method, covering the entire process from sensor selection, signal acquisition to data processing method.
{"title":"Quantitative optimization and identification of Nitroaniline isomers: An application case of MOF-based fluorescent virtual sensor arrays","authors":"Xiulian Yin , Yingjin Li , Xiangfen Xue , Mingjie Wei , Yuxin Xiao , Xianjin Qin , Fan Zhang , Chunmei Li , Qinghua Cao","doi":"10.1016/j.saa.2025.127293","DOIUrl":"10.1016/j.saa.2025.127293","url":null,"abstract":"<div><div>Detecting pollutants such as electrically neutral aromatic amines in environmental water bodies is a challenging endeavor. Sensing array technique, especially MOF-based fluorescence sensor array, has become the preferred approach due to the unique advantages of MOF sensing elements in providing multiple recognition sites and the multi parameter advantages of fluorescence properties. The multidimensional advantages provided by these features should be further explored and utilized. However, the current optimization efforts are primarily focused on the selection of sensor types, and the methods of signal acquisition and data analysis have not yet received much attention. In this study, we used 3D full range fluorescence scanning to obtain three-dimensional sensing signals and made the quantitative analysis method work best for this kind of information. Three distinct phases of the optimization were conducted taking three non-fluorescent isomers, o-nitroaniline, p-nitroaniline, and m-nitroaniline as detection targets. Initially, based on the internal filtering effect (IFE) sensing mechanism, Zn-MOF-74 was selected and synthesized as the sensor. The optimal dosage was determined and the stability was further investigated. Secondly, signal acquisition was achieved with excitation-emission matrix (EEM) to construct a virtual sensor array (VSA). Thirdly, the qualitative PCA-SVM (principal component analysis-support vector machine) model and quantitative PCA-LUT (lookup table) model, which combine two-stage nonlinear fitting with interpolation, were formulated using the first three principal components as features. The research results suggest that the classification accuracy of a single sample is 97.7 %, binary mixed samples is 76.2 %. And this method also shows good detection results for tap and river water samples. Especially, the PCA-LUT has a stable performance in predicting all three compounds with significantly better MAE and MSE and high analysis efficiency. Compared with neural network method, the advantage of PCA-LUT is that it can be used for limited calibration samples and the analysis process is intuitive with good interpretability. This study provides a construction and optimization case for the fluorescence sensing array method, covering the entire process from sensor selection, signal acquisition to data processing method.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127293"},"PeriodicalIF":4.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145727254","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}
Pub Date : 2025-12-04DOI: 10.1016/j.saa.2025.127302
Ye-Wei Yang , Jing Wu , Ya-Mei Lu , Xiao-Yan Ling , Yu Yin , Zi-Rui Xu , Jian Zhang , Shuang-Jie Zhu , Jie Liu
During the processing of dried Chuju (Chrysanthemum morifolium Ramat), rapid and non-destructive moisture content detection is crucial for quality control. Due to its complex structure, moisture distribution becomes highly non-uniform during drying process. However, few reports are available regarding the detection method, thus failing to meet practical production requirements. To address this challenge, this study employed hyperspectral imaging (HSI), combined with machine learning algorithms, to facilitate rapid moisture content detection and visualize its spatial distribution. Spectral data were collected from both the front and back sides of Chuju samples to develop a moisture content predictive model. Six preprocessing techniques and three machine learning algorithms were evaluated based on their performance. The results demonstrated that the combination of standard normal variate (SNV) with support vector regression (SVR) yielded optimal performance, achieving excellent prediction accuracy for both front and back side, with determination coefficient (R2p) reaching 0.986. Subsequently, pixelwise spectral analysis was performed to realize moisture distribution visualization. The findings indicated that during the drying process, moisture distribution was non-uniform; notably, the central region exhibited a significantly slower dehydration rate compared to the outer region. To ensure accurate prediction regardless of sample facing, four classification models were implemented to differentiate between the front and back sides. Among these models, linear discriminant analysis (LDA) achieved the highest classification accuracy at 98.74 %. Thus, this study provides a non-destructive and rapid method for effectively detecting moisture content in Chuju with high precision ensuring product quality, with the potential to be applied in other agricultural products.
{"title":"Detection and visualization of water content distribution in Chuju based on hyperspectral imaging technology and machine learning","authors":"Ye-Wei Yang , Jing Wu , Ya-Mei Lu , Xiao-Yan Ling , Yu Yin , Zi-Rui Xu , Jian Zhang , Shuang-Jie Zhu , Jie Liu","doi":"10.1016/j.saa.2025.127302","DOIUrl":"10.1016/j.saa.2025.127302","url":null,"abstract":"<div><div>During the processing of dried Chuju (<em>Chrysanthemum morifolium Ramat</em>), rapid and non-destructive moisture content detection is crucial for quality control. Due to its complex structure, moisture distribution becomes highly non-uniform during drying process. However, few reports are available regarding the detection method, thus failing to meet practical production requirements. To address this challenge, this study employed hyperspectral imaging (HSI), combined with machine learning algorithms, to facilitate rapid moisture content detection and visualize its spatial distribution. Spectral data were collected from both the front and back sides of Chuju samples to develop a moisture content predictive model. Six preprocessing techniques and three machine learning algorithms were evaluated based on their performance. The results demonstrated that the combination of standard normal variate (SNV) with support vector regression (SVR) yielded optimal performance, achieving excellent prediction accuracy for both front and back side, with determination coefficient (R<sup>2</sup>p) reaching 0.986. Subsequently, pixelwise spectral analysis was performed to realize moisture distribution visualization. The findings indicated that during the drying process, moisture distribution was non-uniform; notably, the central region exhibited a significantly slower dehydration rate compared to the outer region. To ensure accurate prediction regardless of sample facing, four classification models were implemented to differentiate between the front and back sides. Among these models, linear discriminant analysis (LDA) achieved the highest classification accuracy at 98.74 %. Thus, this study provides a non-destructive and rapid method for effectively detecting moisture content in Chuju with high precision ensuring product quality, with the potential to be applied in other agricultural products.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127302"},"PeriodicalIF":4.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145727983","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}
{"title":"Corrigendum to “Implementing near infrared spectroscopy for the online internal quality and maturity stage classification of intact watermelons at industry level” [Spectrochim. Acta A Mol. Biomol. Spectrosc. 339 (2025) 126254]","authors":"Miguel Vega-Castellote , Dolores Pérez-Marín , Irina Torres-Rodríguez , María-Teresa Sánchez","doi":"10.1016/j.saa.2025.127280","DOIUrl":"10.1016/j.saa.2025.127280","url":null,"abstract":"","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127280"},"PeriodicalIF":4.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145688803","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}
Pub Date : 2025-12-04DOI: 10.1016/j.saa.2025.127298
Fábio dos Santos Grasel , Fábio Henrique Weiler , Marco Flôres Ferrão
In this study, samples of recyclable polymers representing the seven standard classes were analysed using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) combined with a classification technique. The classification models were developed using Partial Least Squares Discriminant Analysis (PLS-DA), and its performance was assessed based on sensitivity, specificity, accuracy, efficiency, and the Matthews's Correlation Coefficient (MCC). The PLS-DA models demonstrated high sensitivity, specificity, accuracy, and efficiency, with values ranging from 97.3 % to 100 %, except for the “Other” class, which showed values between 63.2 % and 97.7 %. The Matthews's Correlation Coefficient values ranged from 0.92 to 1.00, except for the “Other” class, which had a value of 0.61, indicating strong overall performance of the classification models. This work demonstrates that PLS-DA combined with ATR-FTIR spectroscopy is a highly effective analytical tool in the identify of polymers for the reprocessing of recyclable materials.
{"title":"Methodology development for management of recyclable polymers by Fourier transform infrared spectroscopy and PLS-DA","authors":"Fábio dos Santos Grasel , Fábio Henrique Weiler , Marco Flôres Ferrão","doi":"10.1016/j.saa.2025.127298","DOIUrl":"10.1016/j.saa.2025.127298","url":null,"abstract":"<div><div>In this study, samples of recyclable polymers representing the seven standard classes were analysed using Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) combined with a classification technique. The classification models were developed using Partial Least Squares Discriminant Analysis (PLS-DA), and its performance was assessed based on sensitivity, specificity, accuracy, efficiency, and the Matthews's Correlation Coefficient (MCC). The PLS-DA models demonstrated high sensitivity, specificity, accuracy, and efficiency, with values ranging from 97.3 % to 100 %, except for the “Other” class, which showed values between 63.2 % and 97.7 %. The Matthews's Correlation Coefficient values ranged from 0.92 to 1.00, except for the “Other” class, which had a value of 0.61, indicating strong overall performance of the classification models. This work demonstrates that PLS-DA combined with ATR-FTIR spectroscopy is a highly effective analytical tool in the identify of polymers for the reprocessing of recyclable materials.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127298"},"PeriodicalIF":4.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145703545","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}
A novel dicyanoisophorone-based fluorescent probe, IsoDiOH, was successfully designed and synthesized, exhibiting a remarkably large Stokes shift of approximately 156 nm. The molecular structure was unambiguously confirmed through 1H NMR characterization and high-resolution mass spectrometry, while its photophysical properties were systematically investigated. Notably, IsoDiOH demonstrated exceptional selectivity and sensitivity for S2− detection, as evidenced by a distinct colorimetric transition from orange to green under ambient light and significant fluorescence quenching following S2− introduction. The probe exhibited ultrafast recognition kinetics (< 20 s) toward S2− with a calculated detection limit of 0.31 μM. To validate practical applicability, environmental water sample and live-cell imaging experiments were conducted, revealing that IsoDiOH possesses significant potential for practical applications in environmental monitoring and biological systems.
{"title":"Dicyanoisophorone based fluorescent probe for rapid S2− detection and its applications in water and bioimaging","authors":"Liting Jiang , Yaqiao Shi , Lingyu Xie , Liyang Dong , Zhaoli Xue","doi":"10.1016/j.saa.2025.127297","DOIUrl":"10.1016/j.saa.2025.127297","url":null,"abstract":"<div><div>A novel dicyanoisophorone-based fluorescent probe, <strong>IsoDiOH</strong>, was successfully designed and synthesized, exhibiting a remarkably large Stokes shift of approximately 156 nm. The molecular structure was unambiguously confirmed through <sup>1</sup>H NMR characterization and high-resolution mass spectrometry, while its photophysical properties were systematically investigated. Notably, <strong>IsoDiOH</strong> demonstrated exceptional selectivity and sensitivity for S<sup>2−</sup> detection, as evidenced by a distinct colorimetric transition from orange to green under ambient light and significant fluorescence quenching following S<sup>2−</sup> introduction. The probe exhibited ultrafast recognition kinetics (< 20 s) toward S<sup>2−</sup> with a calculated detection limit of 0.31 μM. To validate practical applicability, environmental water sample and live-cell imaging experiments were conducted, revealing that <strong>IsoDiOH</strong> possesses significant potential for practical applications in environmental monitoring and biological systems.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127297"},"PeriodicalIF":4.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145703582","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}
The concentration of chromophores in human skin provides crucial information for non-invasive skin diagnostics, particularly in clinical and dermatological applications. However, few studies have reported chromophore concentration measurements at different skin depths. This paper introduces a method for tomographic measurement of skin chromophore concentrations using reflectance spectra. By considering the variations in hemoglobin content at different skin depths, we developed a dual-band skin reflectance spectral model(DBSRS) and employed a hyperspectral camera to measure spectral reflectance. Chromophores, including oxyhemoglobin, deoxyhemoglobin, and melanin, were estimated using the DBSRS model and the subject's reflectance spectra. Using this method, we analyzed chromophore concentrations at different skin depths, revealing distinct variation patterns in oxyhemoglobin and deoxyhemoglobin. Furthermore, melanin concentrations were measured in individuals with different skin phototypes, revealing a significant correlation between phototype and melanin content. The results demonstrate the effectiveness of the proposed DBSRS model in characterizing in vivo skin chromophore concentrations at varying depths.
{"title":"In vivo tomographic characterization of skin chromophore based on hyperspectral imaging","authors":"Qiaoyun Yu, Shibin Wang, Xitong Fu, Zongze Huo, Wenfeng Liu, Zhiyong Wang, Chuanwei Li, Linan Li","doi":"10.1016/j.saa.2025.127301","DOIUrl":"10.1016/j.saa.2025.127301","url":null,"abstract":"<div><div>The concentration of chromophores in human skin provides crucial information for non-invasive skin diagnostics, particularly in clinical and dermatological applications. However, few studies have reported chromophore concentration measurements at different skin depths. This paper introduces a method for tomographic measurement of skin chromophore concentrations using reflectance spectra. By considering the variations in hemoglobin content at different skin depths, we developed a dual-band skin reflectance spectral model(DBSRS) and employed a hyperspectral camera to measure spectral reflectance. Chromophores, including oxyhemoglobin, deoxyhemoglobin, and melanin, were estimated using the DBSRS model and the subject's reflectance spectra. Using this method, we analyzed chromophore concentrations at different skin depths, revealing distinct variation patterns in oxyhemoglobin and deoxyhemoglobin. Furthermore, melanin concentrations were measured in individuals with different skin phototypes, revealing a significant correlation between phototype and melanin content. The results demonstrate the effectiveness of the proposed DBSRS model in characterizing in vivo skin chromophore concentrations at varying depths.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"349 ","pages":"Article 127301"},"PeriodicalIF":4.6,"publicationDate":"2025-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145717235","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}
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