Pub Date : 2026-01-18DOI: 10.1016/j.saa.2026.127497
Ritu K. Shah , Sahaj A. Gandhi , Pinkesh G. Sutariya , Krushna A. Baraiya
The luminescent properties of water-soluble β-cyclodextrin surface-modified capped ZnS QDs (β-CD/ZnS QDs) were investigated for host–guest interactions. The optical properties of the β-CD/ZnS QDs complex revealed selectivity for L-tryptophan (L-Trp) through aggregation-induced emission. Fluorescence titration and Dynamic Light Scattering analysis revealed the fluorescence enhancement effect and aggregation state of β-CD/ZnS QDs in the presence of L-Trp, respectively. The apparent binding constant was determined determine, along an LOD of 420 nM for L-Trp. UV–Visible, Raman, Fourier transform infrared, and Matrix-Assisted Laser Desorption/Ionization (MALDI) - mass spectrometry were used to investigate the interaction of β-CD/ZnS QDs with L-Trp. Moreover, the β-CD/ZnS QDs probe was used for L-Trp detection in soybeans, yielding 91–97% recovery using fluorescence titration.
{"title":"Exploring the molecular interaction between tryptophan and β-cyclodextrin modified ZnS quantum dots using spectroscopic analysis","authors":"Ritu K. Shah , Sahaj A. Gandhi , Pinkesh G. Sutariya , Krushna A. Baraiya","doi":"10.1016/j.saa.2026.127497","DOIUrl":"10.1016/j.saa.2026.127497","url":null,"abstract":"<div><div>The luminescent properties of water-soluble β-cyclodextrin surface-modified capped ZnS QDs (β-CD/ZnS QDs) were investigated for host–guest interactions. The optical properties of the β-CD/ZnS QDs complex revealed selectivity for L-tryptophan (L-Trp) through aggregation-induced emission. Fluorescence titration and Dynamic Light Scattering analysis revealed the fluorescence enhancement effect and aggregation state of β-CD/ZnS QDs in the presence of L-Trp, respectively. The apparent binding constant was determined <span><math><mn>1.75</mn><mspace></mspace><mi>x</mi><mspace></mspace><msup><mn>10</mn><mrow><mo>−</mo><mn>8</mn></mrow></msup><mspace></mspace><msup><mi>M</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></math></span> determine, along an LOD of 420 nM for L-Trp. UV–Visible, Raman, Fourier transform infrared, and Matrix-Assisted Laser Desorption/Ionization (MALDI) - mass spectrometry were used to investigate the interaction of β-CD/ZnS QDs with L-Trp. Moreover, the β-CD/ZnS QDs probe was used for L-Trp detection in soybeans, yielding 91–97% recovery using fluorescence titration.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127497"},"PeriodicalIF":4.6,"publicationDate":"2026-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036098","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}
More than 1.5 million annual deaths from invasive fungal infections underscore the demand for rapid and accurate diagnostics. Although single-cell Raman spectroscopy is a sensitive and label-free technique, its clinical translation is hindered by spectral inconsistencies between instruments. This work introduces a spectral transformer for instrument standardization (STIS), which replaces the localized linear approximations of traditional DS and PDS with a global self-attention mechanism. By encoding spectral position via embeddings and modeling full-range dependencies, STIS captures complex instrumental deviations without overfitting. Evaluated on Raman spectra from 47 clinical fungal strains, STIS markedly surpasses existing methods, raising the average correlation to 0.9897 and reducing the transfer error to 5.13%. Notably, consistent cross-device alignment is attained using only 10 standardization samples. With STIS calibration, slave instrument spectra achieve recognition accuracies of 95.74% (SVM) and 97.87% (CNN) on a held-out test set—An improvement exceeding 30% over uncalibrated data and clearly outperforming DS and PDS
{"title":"STIS: A novel approach for standardization of spectrometric instruments in fungal Raman spectroscopy","authors":"Hailong Feng, Mingyue Huang, Jing Liang, Xiaoxuan Xu, Bin Wang, Jing Xu","doi":"10.1016/j.saa.2026.127494","DOIUrl":"10.1016/j.saa.2026.127494","url":null,"abstract":"<div><div>More than 1.5 million annual deaths from invasive fungal infections underscore the demand for rapid and accurate diagnostics. Although single-cell Raman spectroscopy is a sensitive and label-free technique, its clinical translation is hindered by spectral inconsistencies between instruments. This work introduces a spectral transformer for instrument standardization (STIS), which replaces the localized linear approximations of traditional DS and PDS with a global self-attention mechanism. By encoding spectral position via embeddings and modeling full-range dependencies, STIS captures complex instrumental deviations without overfitting. Evaluated on Raman spectra from 47 clinical fungal strains, STIS markedly surpasses existing methods, raising the average correlation to 0.9897 and reducing the transfer error to 5.13%. Notably, consistent cross-device alignment is attained using only 10 standardization samples. With STIS calibration, slave instrument spectra achieve recognition accuracies of 95.74% (SVM) and 97.87% (CNN) on a held-out test set—An improvement exceeding 30% over uncalibrated data and clearly outperforming DS and PDS</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127494"},"PeriodicalIF":4.6,"publicationDate":"2026-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035684","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 : 2026-01-17DOI: 10.1016/j.saa.2026.127474
Xing Hu, Dezhi Chen, Shihao Zhou, Jun Xu, Kai Xu, Long Jiang, Yi Wang, Sheng Su, Song Hu, Jun Xiang
The precise detection of biochar characteristics serves as a critical determinant in both production process optimization and targeted application selection. In this study, interpretable machine learning prediction models based on Raman spectroscopy, including extreme gradient boosting, support vector regression, feedforward neural network, random forest, and ridge regression, were developed for accurately predicting the characteristics of biochar derived from six different biomass, across a pyrolysis temperature range of 350–1000 °C. Results demonstrated that the feedforward neural network achieved superior overall predictive performance for key biochar characteristics (R2 = 0.89–0.95), including fixed carbon, volatile, H, O, atomic ratio of H/C and O/C. Highly accurate prediction of ash (R2 = 0.95) was achieved by integrating the results of multibasic prediction of volatile matter and fixed carbon and establishing a quantitative relationship with ash. A tripartite analytical framework was developed to improve model interpretability by integrating CARS for spectral feature selection, SHAP analysis to quantify feature importance, and mechanistic correlation analysis of model predictions linking selected bands to biochar structure. The robustness of the models was evaluated through tests on various enhanced datasets, confirming their resilience under different perturbations. This approach, combining Raman spectroscopy with machine learning, offers a rapid and reliable means for predicting biochar characteristics, facilitating more efficient control of biomass pyrolysis processes, and supporting the development of online monitoring techniques.
{"title":"Interpretable machine learning prediction of biochar characteristics based on laser-Raman spectroscopy","authors":"Xing Hu, Dezhi Chen, Shihao Zhou, Jun Xu, Kai Xu, Long Jiang, Yi Wang, Sheng Su, Song Hu, Jun Xiang","doi":"10.1016/j.saa.2026.127474","DOIUrl":"10.1016/j.saa.2026.127474","url":null,"abstract":"<div><div>The precise detection of biochar characteristics serves as a critical determinant in both production process optimization and targeted application selection. In this study, interpretable machine learning prediction models based on Raman spectroscopy, including extreme gradient boosting, support vector regression, feedforward neural network, random forest, and ridge regression, were developed for accurately predicting the characteristics of biochar derived from six different biomass, across a pyrolysis temperature range of 350–1000 °C. Results demonstrated that the feedforward neural network achieved superior overall predictive performance for key biochar characteristics (R<sup>2</sup> = 0.89–0.95), including fixed carbon, volatile, H, O, atomic ratio of H/C and O/C. Highly accurate prediction of ash (R<sup>2</sup> = 0.95) was achieved by integrating the results of multibasic prediction of volatile matter and fixed carbon and establishing a quantitative relationship with ash. A tripartite analytical framework was developed to improve model interpretability by integrating CARS for spectral feature selection, SHAP analysis to quantify feature importance, and mechanistic correlation analysis of model predictions linking selected bands to biochar structure. The robustness of the models was evaluated through tests on various enhanced datasets, confirming their resilience under different perturbations. This approach, combining Raman spectroscopy with machine learning, offers a rapid and reliable means for predicting biochar characteristics, facilitating more efficient control of biomass pyrolysis processes, and supporting the development of online monitoring techniques.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127474"},"PeriodicalIF":4.6,"publicationDate":"2026-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036099","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 : 2026-01-17DOI: 10.1016/j.saa.2026.127479
Shuqi Tang, Hongda Wu, Yifeng Han
Hydrazine (N2H4) is a toxic industrial compound requiring sensitive and selective detection. We report a series of ratiometric fluorescent probes (RC-Ac, RC-Pr, RC-n-Bu, RC-i-Bu) based on a FRET system integrating coumarin and rhodol fluorophores. Among them, RC-n-Bu exhibited optimal performance, with minimal background hydrolysis and a high second-order rate constant (k2 = 49.4 M−1·min−1). RC-n-Bu showed a distinct ratiometric fluorescence shift upon hydrazine exposure, enabling precise quantification and excellent selectivity. It was successfully applied to live-cell and zebrafish imaging, and a portable test strip format allowed visual detection under UV light with smartphone-assisted analysis. This work offers a versatile platform for hydrazine monitoring in biological and environmental settings.
{"title":"A FRET-based ratiometric fluorescent probe for selective hydrazine detection, live imaging, and portable sensing","authors":"Shuqi Tang, Hongda Wu, Yifeng Han","doi":"10.1016/j.saa.2026.127479","DOIUrl":"10.1016/j.saa.2026.127479","url":null,"abstract":"<div><div>Hydrazine (N<sub>2</sub>H<sub>4</sub>) is a toxic industrial compound requiring sensitive and selective detection. We report a series of ratiometric fluorescent probes (<strong>RC-Ac</strong>, <strong>RC-Pr</strong>, <strong>RC-<em>n</em>-Bu</strong>, <strong>RC-<em>i</em>-Bu</strong>) based on a FRET system integrating coumarin and rhodol fluorophores. Among them, <strong>RC-<em>n</em>-Bu</strong> exhibited optimal performance, with minimal background hydrolysis and a high second-order rate constant (k<sub>2</sub> = 49.4 M<sup>−1</sup>·min<sup>−1</sup>). <strong>RC-<em>n</em>-Bu</strong> showed a distinct ratiometric fluorescence shift upon hydrazine exposure, enabling precise quantification and excellent selectivity. It was successfully applied to live-cell and zebrafish imaging, and a portable test strip format allowed visual detection under UV light with smartphone-assisted analysis. This work offers a versatile platform for hydrazine monitoring in biological and environmental settings.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127479"},"PeriodicalIF":4.6,"publicationDate":"2026-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146032187","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 : 2026-01-16DOI: 10.1016/j.saa.2026.127478
Qinyi Zhang, Junyi Zhang, Jiaqi Liang, Changyan Sun
The overconsumption of food additives butylated hydroxyanisole (BHA) and acesulfame K (AK) may cause health hazards. Therefore, it is urgent to develop sensitive detection methods for them in food safety surveillance. This study reports the synthesis of terbium doped metal-organic framework material (Tb3+@Zn-MOF), which serves as the first MOF-based fluorescent probe for detecting BHA and AK, with detection limits as low as 0.42 μM (BHA) and 78 nM (AK). The detection mechanism is attributed to synergistic effect of competitive absorption (BHA) and photo induced electron transfer(AK). Furthermore, the spiked recovery experiments in actual food matrices showed that the recovery range was from 99.4% to 100.5% (BHA) and 95.56% to 101.6% (AK)，indicating good accuracy and precision. Moreover, a reliable and portable platform for rapid on-site detection of BHA was fabricated by physically incorporating Tb3+@Zn-MOF into polyvinyl alcohol (PVA) matrix.
{"title":"A “turn-off” fluorescent probe based on terbium doped Zn-MOF for sensitive detection of the food additives","authors":"Qinyi Zhang, Junyi Zhang, Jiaqi Liang, Changyan Sun","doi":"10.1016/j.saa.2026.127478","DOIUrl":"10.1016/j.saa.2026.127478","url":null,"abstract":"<div><div>The overconsumption of food additives butylated hydroxyanisole (BHA) and acesulfame K (AK) may cause health hazards. Therefore, it is urgent to develop sensitive detection methods for them in food safety surveillance. This study reports the synthesis of terbium doped metal-organic framework material (Tb<sup>3+</sup>@Zn-MOF), which serves as the first MOF-based fluorescent probe for detecting BHA and AK, with detection limits as low as 0.42 μM (BHA) and 78 nM (AK). The detection mechanism is attributed to synergistic effect of competitive absorption (BHA) and photo induced electron transfer(AK). Furthermore, the spiked recovery experiments in actual food matrices showed that the recovery range was from 99.4% to 100.5% (BHA) and 95.56% to 101.6% (AK)，indicating good accuracy and precision. Moreover, a reliable and portable platform for rapid on-site detection of BHA was fabricated by physically incorporating Tb<sup>3+</sup>@Zn-MOF into polyvinyl alcohol (PVA) matrix.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127478"},"PeriodicalIF":4.6,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146004682","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 : 2026-01-16DOI: 10.1016/j.saa.2026.127476
Qi Zhang , Guoxin Liu
Information security and anti-counterfeiting technologies are facing increasingly severe challenges worldwide. Traditional static anti-counterfeiting methods, being relatively easy to replicate, are gradually becoming inadequate to meet high-end security demands. In recent years, time-dependent stimuli-responsive optical materials have emerged as a focus of research for next-generation anti-counterfeiting and encryption systems, owing to their dynamic and tunable optical behaviors as well as their capacity for encoding information in the time domain. These materials exhibit time-evolving optical properties—such as luminescence color, intensity, lifetime, or polarization state—in response to external stimuli like light, pH, or chemical environments, often demonstrating reversible relaxation or specific kinetic behaviors. Based on these materials, information anti-counterfeiting and encryption systems can only reveal authentic data within specific time windows and enable self-destruction of information, which significantly enhance anti-counterfeiting complexity and security. This review systematically summarizes recent advances in the design strategies, response mechanisms, and applications of such materials, covering systems including metal–organic frameworks (MOFs), perovskite nanocrystals, organic small molecules, carbon nanodots (CDs), and smart hydrogels. It highlights their application potential in multilevel encryption, dynamic information storage and self-erasing labels. The article also identifies current challenges, such as strong reliance on UV light, insufficient dynamic control precision, and biocompatibility issues. Finally, it outlines future research directions, including multimodal stimulus responses, AI-assisted design, organic–inorganic hybrid systems, and environmentally friendly materials, to promote the practical application of these technologies in high-security anti-counterfeiting and encryption systems.
{"title":"Progress of stimuli-responsive fluorescent materials with time-dependent optical properties for information anti-counterfeiting and encryption","authors":"Qi Zhang , Guoxin Liu","doi":"10.1016/j.saa.2026.127476","DOIUrl":"10.1016/j.saa.2026.127476","url":null,"abstract":"<div><div>Information security and anti-counterfeiting technologies are facing increasingly severe challenges worldwide. Traditional static anti-counterfeiting methods, being relatively easy to replicate, are gradually becoming inadequate to meet high-end security demands. In recent years, time-dependent stimuli-responsive optical materials have emerged as a focus of research for next-generation anti-counterfeiting and encryption systems, owing to their dynamic and tunable optical behaviors as well as their capacity for encoding information in the time domain. These materials exhibit time-evolving optical properties—such as luminescence color, intensity, lifetime, or polarization state—in response to external stimuli like light, pH, or chemical environments, often demonstrating reversible relaxation or specific kinetic behaviors. Based on these materials, information anti-counterfeiting and encryption systems can only reveal authentic data within specific time windows and enable self-destruction of information, which significantly enhance anti-counterfeiting complexity and security. This review systematically summarizes recent advances in the design strategies, response mechanisms, and applications of such materials, covering systems including metal–organic frameworks (MOFs), perovskite nanocrystals, organic small molecules, carbon nanodots (CDs), and smart hydrogels. It highlights their application potential in multilevel encryption, dynamic information storage and self-erasing labels. The article also identifies current challenges, such as strong reliance on UV light, insufficient dynamic control precision, and biocompatibility issues. Finally, it outlines future research directions, including multimodal stimulus responses, AI-assisted design, organic–inorganic hybrid systems, and environmentally friendly materials, to promote the practical application of these technologies in high-security anti-counterfeiting and encryption systems.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127476"},"PeriodicalIF":4.6,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146036110","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 : 2026-01-16DOI: 10.1016/j.saa.2026.127480
Fatemeh Elmi , Maryam Mitra Elmi , Lisa Vaccari , Diana E. Bedolla
Chitosan-based films containing different bioactive components were developed to assess their effect on wound healing in a dermal rat skin tissue. Four formulations pure chitosan, chitosan–collagen (ACS), chitosan conjugated with glycolipoprotein extract from earth worm, namely chitosan–G-90, and a mixture of three constituents, chitosan–ACS–G-90 were compared with an untreated control. 14 days post-injury, wound closure was greatest in the chitosan–ACS–G-90 group. Ratio mapping (1325–1351 cm−1/1190–1357 cm−1) confirmed that the chitosan–ACS–G-90 film provided the most consistent improvement in collagen organization, highlighting its superior role in matrix maturation. Vector-normalized, second-derivative spectra from the protein (1710–1475 cm−1) and fingerprint (1800–900 cm−1) regions revealed treatment-dependent variations in amide I/II profiles, collagen triple-helix markers (1338 cm−1, 1203 cm−1), and distinct absorptions in the carbohydrate associated region (∼1150–1000 cm−1). These bands while often attributed to glycosaminoglycans or other ECM polysaccharides may also include overlapping contributions from collagen side chains and nucleic acid phosphate vibrations (DNA/RNA), reflecting the inherently complex biochemical composition of dermal ECM. Principal Component Analysis (PCA) clearly separated the chitosan–ACS–G-90 group from untreated dermis, with loadings associated with cross-link–related (∼1690 cm−1) and amide I/II bands (∼1658 cm−1, 1566–1543 cm−1). Classification of PCA scores using k-Nearest Neighbors (kNN) achieved high accuracy (AUC = 0.993). These results show that the chitosan–ACS–G-90 accelerates wound closure and enhances collagen remodeling.
制备了含有不同生物活性成分的壳聚糖基薄膜，以评估其对大鼠真皮皮肤组织伤口愈合的影响。对纯壳聚糖、壳聚糖-胶原蛋白（ACS）、壳聚糖-地虫糖脂蛋白提取物（壳聚糖- g -90）和壳聚糖- ACS - g -90三种成分的混合物进行了对比研究。损伤后14 d，壳聚糖- acs - g -90组伤口愈合效果最好。比值图（1325-1351 cm−1/1190 - 1357 cm−1）证实壳聚糖- acs - g -90膜对胶原组织的改善最为一致，突出了其在基质成熟中的优越作用。来自蛋白质（1710-1475 cm−1）和指纹（1800-900 cm−1）区域的矢量归一化二阶导数光谱揭示了酰胺I/II谱、胶原三螺旋标记（1338 cm−1、1203 cm−1）和碳水化合物相关区域（~ 1150-1000 cm−1）的不同吸收依赖于处理的变化。这些条带虽然通常归因于糖胺聚糖或其他ECM多糖，但也可能包括胶原侧链和核酸磷酸振动（DNA/RNA）的重叠贡献，反映了真皮ECM固有的复杂生化组成。主成分分析（PCA）清楚地从未经处理的真皮层中分离出壳聚糖- acs - g -90组，其负载与交联相关（~ 1690 cm−1）和酰胺I/II带（~ 1658 cm−1,1566-1543 cm−1）相关。使用k-Nearest Neighbors （kNN）对PCA评分进行分类，准确率较高（AUC = 0.993）。这些结果表明壳聚糖- acs - g -90促进创面愈合和胶原重塑。
{"title":"Chitosan–collagen–G-90 film enhances wound closure and collagen remodeling: FTIR imaging and PCA-kNN analysis","authors":"Fatemeh Elmi , Maryam Mitra Elmi , Lisa Vaccari , Diana E. Bedolla","doi":"10.1016/j.saa.2026.127480","DOIUrl":"10.1016/j.saa.2026.127480","url":null,"abstract":"<div><div>Chitosan-based films containing different bioactive components were developed to assess their effect on wound healing in a dermal rat skin tissue. Four formulations pure chitosan, chitosan–collagen (ACS), chitosan conjugated with glycolipoprotein extract from earth worm, namely chitosan–G-90, and a mixture of three constituents, chitosan–ACS–G-90 were compared with an untreated control. 14 days post-injury, wound closure was greatest in the chitosan–ACS–G-90 group. Ratio mapping (1325–1351 cm<sup>−1</sup>/1190–1357 cm<sup>−1</sup>) confirmed that the chitosan–ACS–G-90 film provided the most consistent improvement in collagen organization, highlighting its superior role in matrix maturation. Vector-normalized, second-derivative spectra from the protein (1710–1475 cm<sup>−1</sup>) and fingerprint (1800–900 cm<sup>−1</sup>) regions revealed treatment-dependent variations in amide I/II profiles, collagen triple-helix markers (1338 cm<sup>−1</sup>, 1203 cm<sup>−1</sup>), and distinct absorptions in the carbohydrate associated region (∼1150–1000 cm<sup>−1</sup>). These bands while often attributed to glycosaminoglycans or other ECM polysaccharides may also include overlapping contributions from collagen side chains and nucleic acid phosphate vibrations (DNA/RNA), reflecting the inherently complex biochemical composition of dermal ECM. Principal Component Analysis (PCA) clearly separated the chitosan–ACS–G-90 group from untreated dermis, with loadings associated with cross-link–related (∼1690 cm<sup>−1</sup>) and amide I/II bands (∼1658 cm<sup>−1</sup>, 1566–1543 cm<sup>−1</sup>). Classification of PCA scores using k-Nearest Neighbors (kNN) achieved high accuracy (AUC = 0.993). These results show that the chitosan–ACS–G-90 accelerates wound closure and enhances collagen remodeling.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"352 ","pages":"Article 127480"},"PeriodicalIF":4.6,"publicationDate":"2026-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146076362","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 : 2026-01-14DOI: 10.1016/j.saa.2026.127464
Siqi Li , Lin Ma , Rong Lin , Xiongwang Li , Xinyi Yao , Yufei Hu , Jia-Jia Lang , Zhonghua Yuan , Pengbing Mi
Enzyme-responsive (ER) probes trageting human monoamine oxidase B (hMAO-B) represent pivotal tools for investigating a variety of diseases, including neurodegenerative pathologies, liver diseases, heart failure, metabolic disorders and cancers. Herein, we report THT-MTP—a thiochromone-based fluorescent probe exhibiting highly sensitivity and specificity for hMAO-B that undergoes hMAO-B-catalyzed oxidative conversion of its MTP moiety to MPy+, along with >100-fold fluorescence enhancement. Its activation mechanism was validated through safinamide-inhibition assays in both enzyme and cellular models. The hMAO-B-activatable imaging capability demonstrates intensity proportionality to enzyme levels across cell lines with differential MAO-B expression (HepG2 > SH-SY5Y ≫ NIH-3T3). THT-MTP exhibited excellent mitochondrial accumulation via enzyme-anchored and charge-driven dual targeting. This work establishes a design paradigm for hMAO-B-selectvie probes combining high-precision subcellular targeting, activatable imaging capability and wash-free operation, offering a robust molecular tool for investigating hMAO-B-associated diseases.
{"title":"An hMAO-B-activatable mitochondrial binding fluorescent probe in live-cell via enzyme-anchored and charge-driven dual targeting","authors":"Siqi Li , Lin Ma , Rong Lin , Xiongwang Li , Xinyi Yao , Yufei Hu , Jia-Jia Lang , Zhonghua Yuan , Pengbing Mi","doi":"10.1016/j.saa.2026.127464","DOIUrl":"10.1016/j.saa.2026.127464","url":null,"abstract":"<div><div>Enzyme-responsive (ER) probes trageting human monoamine oxidase B (<em>h</em>MAO-B) represent pivotal tools for investigating a variety of diseases, including neurodegenerative pathologies, liver diseases, heart failure, metabolic disorders and cancers. Herein, we report <strong>THT-MTP</strong>—a thiochromone-based fluorescent probe exhibiting highly sensitivity and specificity for <em>h</em>MAO-B that undergoes <em>h</em>MAO-B-catalyzed oxidative conversion of its <strong>MTP</strong> moiety to <strong>MPy</strong><sup><strong>+</strong></sup>, along with >100-fold fluorescence enhancement. Its activation mechanism was validated through safinamide-inhibition assays in both enzyme and cellular models. The <em>h</em>MAO-B-activatable imaging capability demonstrates intensity proportionality to enzyme levels across cell lines with differential MAO-B expression (HepG2 > SH-SY5Y ≫ NIH-3T3). <strong>THT-MTP</strong> exhibited excellent mitochondrial accumulation via enzyme-anchored and charge-driven dual targeting. This work establishes a design paradigm for <em>h</em>MAO-B-selectvie probes combining high-precision subcellular targeting, activatable imaging capability and wash-free operation, offering a robust molecular tool for investigating <em>h</em>MAO-B-associated diseases.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127464"},"PeriodicalIF":4.6,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145976116","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}
Red wax seals were discovered at the Santi Quattro Coronati complex in Rome, within a staircase utilized as a domestic disposal pit in the late 15th or early 16th century. The four seals, recovered from three distinct stratigraphic units, were in a poor state of preservation. Over time, they underwent morphological and chemical transformations, resulting in the loss of the impressions they originally bore, along with the documents to which they were once affixed.
The composition and manufacturing techniques of wax seals changed over time, resulting in complex, multi-component materials. A multi-analytical approach was employed to investigate their composition and conservation state, incorporating Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDS), X-ray Fluorescence (XRF) spectroscopy, Fiber Optic Reflectance Spectroscopy (FORS), Fourier-Transform Infrared spectroscopy (FTIR) in both micro-reflectance and Attenuated Total Reflectance (ATR) modes, and chemometric analysis. The study was exclusively performed on the archaeological samples recovered from the site under investigation. Consequently, the limited sample size precludes material classification as a primary objective. This study instead aims to advance knowledge of historical wax seal production materials and degradation processes, identifying key aging markers and assessing potential correlations between their conservation state and their respective stratigraphic contexts.
红色的蜡封是在罗马的Santi Quattro Coronati建筑群中发现的，在15世纪末或16世纪初，在一个楼梯内被用作家庭处理坑。从三个不同的地层单元中发现的四个封印，保存状况不佳。随着时间的推移，它们经历了形态和化学变化，导致它们最初所承载的印象以及它们曾经被贴在上面的文件的丢失。随着时间的推移，蜡封的成分和制造技术发生了变化，导致了复杂的、多组分的材料。采用扫描电子显微镜（SEM）、能量色散x射线能谱（EDS）、x射线荧光（XRF）光谱、光纤反射光谱（FORS）、微反射和衰减全反射（ATR）模式的傅里叶变换红外光谱（FTIR）和化学计量学分析等多种分析方法研究了它们的组成和守恒状态。这项研究完全是对从调查地点找到的考古样本进行的。因此，有限的样本量排除了将材料分类作为主要目标的可能性。相反，这项研究的目的是推进对历史蜡封生产材料和降解过程的了解，确定关键的老化标志，并评估其保存状态与各自地层背景之间的潜在相关性。
{"title":"Characterization of Seals from the Santi Quattro Coronati complex (Rome, Italy) with a focus on FTIR and chemometric analysis","authors":"Martina Franchi , Alessandro Ciccola , Matteo Taroni , Anna Candida Felici , Alessandro Nucara , Naurang Lal Saini , Luca Businaro , Lia Barelli , Simona Morretta , Alessia Cedola","doi":"10.1016/j.saa.2025.127413","DOIUrl":"10.1016/j.saa.2025.127413","url":null,"abstract":"<div><div>Red wax seals were discovered at the Santi Quattro Coronati complex in Rome, within a staircase utilized as a domestic disposal pit in the late 15th or early 16th century. The four seals, recovered from three distinct stratigraphic units, were in a poor state of preservation. Over time, they underwent morphological and chemical transformations, resulting in the loss of the impressions they originally bore, along with the documents to which they were once affixed.</div><div>The composition and manufacturing techniques of wax seals changed over time, resulting in complex, multi-component materials. A multi-analytical approach was employed to investigate their composition and conservation state, incorporating Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDS), X-ray Fluorescence (XRF) spectroscopy, Fiber Optic Reflectance Spectroscopy (FORS), Fourier-Transform Infrared spectroscopy (FTIR) in both micro-reflectance and Attenuated Total Reflectance (ATR) modes, and chemometric analysis. The study was exclusively performed on the archaeological samples recovered from the site under investigation. Consequently, the limited sample size precludes material classification as a primary objective. This study instead aims to advance knowledge of historical wax seal production materials and degradation processes, identifying key aging markers and assessing potential correlations between their conservation state and their respective stratigraphic contexts.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127413"},"PeriodicalIF":4.6,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035685","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 : 2026-01-14DOI: 10.1016/j.saa.2026.127469
Yingte Wang, Yijun Shen, Jiandang Xue, Lele Liu, Yawei Li
Nitrogen-doped carbon dots (N-CDs) exhibiting long-wavelength fluorescence were successfully synthesized via a one-step hydrothermal method using neutral red and thiosemicarbazide as precursors, specifically to address limitations in pyrophosphate (P2O74−, PPi) detection. As an essential adenosine triphosphate (ATP) hydrolysis byproduct and disease biomarker, PPi quantification remains challenged by costly instrumentation and complex procedures in conventional methods. The synthesized N-CDs demonstrated optimal excitation/emission at 520/600 nm with a quantum yield (QY) of 4.8%, enabling rapid (1 min response time), selective PPi detection through fluorescence quenching. Quantitative analysis revealed a linear detection range of 1.38–85.60 μmol/L (R2 = 0.9983) and low detection limit of 0.42 μmol/L. Practical validation in milk samples yielded excellent recovery rates of 95.26–105.74% with ≤1.86% relative standard deviation, confirming reliability in complex matrices. Critically, the N-CDs' deep-tissue penetration capability facilitated real-time monitoring of intracellular PPi dynamics in HeLa cells, while maintaining high biocompatibility. This work establishes multi-element doped carbon dots as both a cost-effective analytical alternative and a versatile platform for biomedical imaging applications.
{"title":"Long-wavelength emissive N-doped carbon dots as a fluorescent probe for sensitive detection of pyrophosphate and cellular imaging","authors":"Yingte Wang, Yijun Shen, Jiandang Xue, Lele Liu, Yawei Li","doi":"10.1016/j.saa.2026.127469","DOIUrl":"10.1016/j.saa.2026.127469","url":null,"abstract":"<div><div>Nitrogen-doped carbon dots (N-CDs) exhibiting long-wavelength fluorescence were successfully synthesized via a one-step hydrothermal method using neutral red and thiosemicarbazide as precursors, specifically to address limitations in pyrophosphate (P<sub>2</sub>O<sub>7</sub><sup>4−</sup>, PPi) detection. As an essential adenosine triphosphate (ATP) hydrolysis byproduct and disease biomarker, PPi quantification remains challenged by costly instrumentation and complex procedures in conventional methods. The synthesized N-CDs demonstrated optimal excitation/emission at 520/600 nm with a quantum yield (QY) of 4.8%, enabling rapid (1 min response time), selective PPi detection through fluorescence quenching. Quantitative analysis revealed a linear detection range of 1.38–85.60 μmol/L (R<sup>2</sup> = 0.9983) and low detection limit of 0.42 μmol/L. Practical validation in milk samples yielded excellent recovery rates of 95.26–105.74% with ≤1.86% relative standard deviation, confirming reliability in complex matrices. Critically, the N-CDs' deep-tissue penetration capability facilitated real-time monitoring of intracellular PPi dynamics in HeLa cells, while maintaining high biocompatibility. This work establishes multi-element doped carbon dots as both a cost-effective analytical alternative and a versatile platform for biomedical imaging applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"351 ","pages":"Article 127469"},"PeriodicalIF":4.6,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146004691","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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