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

{"title":"Sequential controlled H₂S/CO dual delivery via a self-reporting fluorogenic donor synergistically attenuates myocardial ischemia-reperfusion injury","authors":"Li Li ,&nbsp;Afeng Hou ,&nbsp;Qing Chen ,&nbsp;Zhenmei Lin ,&nbsp;Ziqian Zhang","doi":"10.1016/j.saa.2025.126933","DOIUrl":"10.1016/j.saa.2025.126933","url":null,"abstract":"<div><div>Myocardial ischemia-reperfusion injury (MIRI) presents significant clinical challenges due to its complex multimechanistic pathophysiology. Although hydrogen sulfide (H₂S) and carbon monoxide (CO) exhibit individual cardioprotective effects via anti-apoptotic/anti-inflammatory pathways, their synergistic potential remains underexplored due to the absence of delivery systems enabling spatiotemporal co-regulation of these gasotransmitters. Current approaches face technical limitations in simultaneous gas quantification and therapeutic delivery, often compromising treatment efficacy through gas leakage during monitoring. To address these challenges, we developed <strong>HSCOD</strong>, a theranostic donor featuring cysteine-activated H₂S release followed by light-controlled CO generation, while incorporating self-reporting fluorescence for real-time gas tracking. In cellular and zebrafish MIRI models, dual-gas co-delivery demonstrated superior efficacy to monotherapies, significantly reducing apoptosis, pyroptosis, oxidative stress, and inflammation through coordinated cardioprotection. This study further validated the “gas waltz therapy” concept of spatiotemporally orchestrated gas interactions, with <strong>HSCOD</strong> serving as both a therapeutic agent and research tool for decoding gas crosstalk in multifactorial diseases. The platform overcomes critical limitations in gas therapy by integrating controlled release with real-time tracking, advancing targeted treatment strategies for complex pathologies.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126933"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145076935","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":"A new asymmetric phthalocyanine-based chemosensor for the detection of ultra trace amount of copper (II) ions in environmental samples: comprehensive complex characterization and DFT analysis","authors":"Ozgur Yavuz ,&nbsp;Burak Yıldız ,&nbsp;Erem Ahmetali ,&nbsp;Hulya Aribuga ,&nbsp;Utku Ertugral ,&nbsp;Berkehan Kura ,&nbsp;Nurcan Şenyurt Tuzun ,&nbsp;M. Kasım Şener ,&nbsp;Ismail Yilmaz","doi":"10.1016/j.saa.2025.126935","DOIUrl":"10.1016/j.saa.2025.126935","url":null,"abstract":"<div><div>While Cu²⁺ ions are essential for various biological and physiological processes, they can also induce severe neurodegenerative disorders, such as Alzheimer's and Parkinson's disease, when present in excess. Therefore, there is a pressing need to develop novel chemical sensors capable of selectively and sensitively detecting these ions in environmental samples. In this study, an A₃B-type asymmetric phthalocyanine-based sensor, <strong><em>PCA-ZnPc-5</em></strong>, was developed by integrating <em>tert</em>-butyl groups and pyrazole moieties. These units play an active role in suppressing aggregation and increasing the solubility of the sensor molecule, as well as functioning as selective receptors against Cu²⁺, respectively. <strong><em>PCA-ZnPc-5</em></strong> facilitated the detection of Cu²⁺ ions at the nanomolar level in environmental matrices, with no interference from other species. The applied fluorescence-based method yielded in a detection limit of 7.38 nM and an ultra-fast response time of one second. A notably significant binding constant of 4.89 × 10⁶ M⁻¹ confirmed the strong interaction between <strong><em>PCA-ZnPc-5</em></strong> and Cu²⁺. The recovery percentages ranged from 97.9 % to 102.9 %, indicating the efficacy and suitability of <strong><em>PCA-ZnPc-5</em></strong> for the analysis of Cu²⁺ in actual samples. The binding stoichiometry (1:1 ratio) and mechanism were confirmed by a comprehensive analytical approach including UV–Vis, FT-IR, MALDI-TOF Spectroscopy, and Job's Method. The 3-dimensional geometries of the probe and its Cu²⁺ complex were elucidated through DFT calculations, which also revealed the binding mode and the frontier molecular orbitals of the system.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126935"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145093395","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":"A Zn(II)-based metal–organic framework as a turn-off/on fluorescent sensor for selective detection of ammonium ferric citrate and aspirin","authors":"Jingyi Liang ,&nbsp;Weiping Wu ,&nbsp;Istikhar A. Ansari ,&nbsp;Taghreed F. Altamimi ,&nbsp;Xin Song ,&nbsp;Shafiul Haque ,&nbsp;Lu Lu ,&nbsp;Luyi Zhou","doi":"10.1016/j.saa.2025.126914","DOIUrl":"10.1016/j.saa.2025.126914","url":null,"abstract":"<div><div>The design of selective and sensitive chemosensor for sensing of biomolecules and phenol derivatives remains a significant challenge. Here, we report on the synthesis of a highly robust and thermally stable Zn-metal organic framework, via a hydrothermal reaction using 1,4-naphthalenedicarboxylic acid (H₂L), 1,2-di(pyridin-4-yl)ethane (bpe), and Zn(ClO₄)₂·6H₂O. The resulting compound [Zn₃(L²⁻)₂(bpe)₂] (<strong>Zn-MOF-1</strong>) was synthesized and characterized using elemental analysis, FT-IR, TGA, PXRD, XPS, and single-crystal X-ray diffraction. Single-crystal analysis reveals that <strong>Zn-MOF-1</strong> features a three-dimensional (3D) layered framework stabilized by C–H···O hydrogen bonding and π–π stacking interactions. Notably, the structure incorporates both distorted octahedral and pentagonal bipyramidal zinc coordination geometries within the same framework-an uncommon feature. Topological analysis confirms a (3,6)-connected, two-fold interpenetrated dia (diamondoid) network, underscoring the complexity and uniqueness of the structure. Given the excellent luminescent properties of <strong>Zn-MOF-1</strong>, sensing experiments were conducted using various biomolecules. The results demonstrated selective molecular recognition of Ammonium ferric citrate (AF) and aspirin (ASP) by <strong>Zn-MOF-1</strong>, exhibiting a ‘turn-off’ luminescence response for AF and a ‘turn-on’ response for ASA. The limits of detection (LOD) were 4.573 × 10⁻⁵ mol/L for AF and 4.215 × 10⁻⁵ mol/L for ASA, with corresponding Stern–Volmer constants (K_sv) of 2563.29 M⁻¹ and 2781.25 M⁻¹, respectively. The practical applicability of this sensing approach was evaluated using real water samples. Real water sample tests gave recoveries of 95–102 %, confirming reliability. Time-resolved studies revealed a reduced fluorescence lifetime upon AF addition, confirming a dynamic quenching mechanism. Furthermore, analysis of the absorption and emission overlap suggested a contribution from the inner filter effect (IFE). After IFE correction, the results highlighted genuine molecular interactions between AF and <strong>Zn-MOF-1</strong>. This establishes Zn-MOF-<strong>1</strong> as a sensitive and selective fluorescent sensor for environmental and bioanalytical applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"347 ","pages":"Article 126914"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145152614","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":"A sample fluorescent probe based on DNA aptamer mimic of GFP for “turn-on” sensing of ClO−","authors":"Haisheng Liu ,&nbsp;Hongyu Wang ,&nbsp;Jianting Liu ,&nbsp;Yaru Zhao ,&nbsp;Wen Lu","doi":"10.1016/j.saa.2025.126941","DOIUrl":"10.1016/j.saa.2025.126941","url":null,"abstract":"<div><div>Hypochlorous acid (HClO), a significant reactive oxygen species in biological systems, plays a vital role in both physiological and pathological processes. Irregular HClO concentration changes can cause diseases like inflammation, cardiovascular disorders, and neurodegenerative conditions. Thus, creating a method for fast and sensitive ClO⁻ detection is essential for biomedicine and bioassays. This study introduces an innovative fluorescent biosensor for ClO⁻ detection, using a DNA aptamer mimic of green fluorescent protein (DMGFP). By integrating DMGFP with phosphorothioate-modified block DNA, the biosensor achieves a low detection limit of 90.3 nM, with high specificity and a streamlined, cost-effective design. It allows for rapid ClO⁻ analysis in complex biological samples. The method's efficacy was confirmed in tears, urine, and the RVLM tissue of SIH rats, underscoring its clinical and physiological relevance. Additionally, the biosensor demonstrates significant potential in fluorescence imaging, offering a powerful tool for studying oxidative stress-related conditions and disease diagnosis.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126941"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060431","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":"New automatic fluorescence monitoring system for insecticides in surface and groundwater. Applications to pyrethroids in the Niayes agricultural area of Senegal","authors":"Astou Ndiaye ,&nbsp;Néhou Diouf ,&nbsp;Coumba Faye ,&nbsp;Anta Sarr ,&nbsp;Jean-Pierre Bakhoum ,&nbsp;Diène Diégane Thiaré ,&nbsp;Diégane Sarr ,&nbsp;Atanasse Coly ,&nbsp;Philippe Giamarchi","doi":"10.1016/j.saa.2025.126916","DOIUrl":"10.1016/j.saa.2025.126916","url":null,"abstract":"<div><div>In this paper, we present the design of a new automatic fluorescence monitoring system (AUTOFLUO) for real-time control of pesticide contamination in natural waters. This system was used to analyse two fluorescent pyrethroid insecticides, phenothrin (PHE) and permethrin (PER), currently used in the Niayes agricultural district in Senegal. The results were then compared with those obtained using the classical fluorescence method (FLUO). The analytical parameters (λex, λem, and pH) were optimised. Phenothrin exhibits maximum excitation and emission wavelengths of 221 and 321 nm, respectively, whereas permethrin has these values at 210 and 297 nm. The optimum pH value was determined to be 7 for PHE and 8 for PER. The linearity of both the calibration and standard addition curves was validated through variance analysis. A Student's <em>t</em>-test demonstrated that the intercept values of the calibration curves were not significantly different from zero (<em>p</em> &gt; 5 %). The limit of detection (LOD) ranges from 0.02 to 5.16 ng mL⁻¹, while the limit of quantification ranges from 0.07 to 17.18 ng mL⁻¹. Comparing these LOD values with those reported in the literature demonstrates the high sensitivity of the AUTOFLUO method. Both insecticides were analysed in spiked natural waters using the standard addition procedure. Satisfactory recovery rates were obtained by the FLUO (88.9 % to 97.6 %) and the AUTOFLUO (95.7 % to 102.8 %) methods. The low intraday and interday relative standard deviations (&lt; 2 % and &lt; 4 % respectively) attest to the repeatability and reproducibility of the measurements. The satisfactory tolerance limits of the interfering species validate the method's selectivity. These results demonstrate that the AUTOFLUO system is suitable for reliably monitoring pesticides in natural waters.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126916"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145088841","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":"Spectroscopic and in silico insight into the influence of substituent position on the molecular interaction mechanism between methoxychlor and human serum albumin","authors":"Zimeng He ,&nbsp;Lanfang Zhang ,&nbsp;Xiting Li ,&nbsp;Zhili Lu ,&nbsp;Yan Zhou ,&nbsp;Jinqi Yang ,&nbsp;Baozhu Chi ,&nbsp;Ying Guo ,&nbsp;Xun Tuo","doi":"10.1016/j.saa.2025.126938","DOIUrl":"10.1016/j.saa.2025.126938","url":null,"abstract":"<div><div>P,p’-Methoxychlor (4-4MXC), an insecticide banned under the Stockholm Convention, exhibits significant environmental persistence and poses health risks. However, the interaction mechanisms of 4-4MXC and its isomer (2-4MXC) with transport proteins remain poorly understood. This study investigated the influence of structural differences on their functionality by evaluating the toxicity variations between 2-4MXC and 4-4MXC and their interactions with HSA. ProTox 3.0 analysis revealed similar toxicity properties for both isomers. They spontaneously bound to HSA at site I via hydrophobic interactions mediated by Arg218 and Trp214. In fluorescence experiments, the binding constants of 4-4MXC were consistently higher than those of 2-4MXC at three temperatures (298 K, 303 K, and 310 K). This can be attributed to its larger negative surface area, which facilitates stronger binding to HSA. 4-4MXC induced a greater reduction in α-helix content (5.0% compared to 3.5% for 2-4MXC) and an increased radius of gyration, indicating more pronounced structural relaxation. Functional assays demonstrated isomer-specific effects: 4-4MXC significantly activates the activity, while 2-4MXC shows slight inhibition at concentrations below 10 × 10⁻⁶ M⁻¹, transitioning to activation at higher concentrations. These differences stemmed from distinct effects on the accessible surface areas of catalytic residues (Lys199/Lys195). These findings highlight the structure-dependent binding of isomers to HSA, leading to variations in their functional properties.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126938"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145093390","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":"Spectroscopic characterization of two-dimensional distributions of vibrational temperature and reactive nitrogen species density in low-pressure nitrogen plasma","authors":"Jonggu Han ,&nbsp;Woojin Park ,&nbsp;Gwang-Ho Lee ,&nbsp;Jitae Park ,&nbsp;Sungho Jang ,&nbsp;Se Youn Moon","doi":"10.1016/j.saa.2025.126913","DOIUrl":"10.1016/j.saa.2025.126913","url":null,"abstract":"<div><div>The use of a charge-coupled device (CCD) camera, is one of the simplest methods for obtaining high-spatial-resolution plasma diagnostics owing to its ease of use and compatibility with existing setups. Although this approach is effective for atomic gas plasmas when combined with optical bandpass filters, its application in scenarios involving molecular gas plasmas, widely used in semiconductor processes, is challenging due to the limitation of spectral resolution of the filters to resolve densely overlapped molecular emission bands. Therefore, in this study, we developed a CCD-based analysis method using spectrally filtered images to enable two-dimensional mapping of vibrational temperature and reactive nitrogen species density in low-pressure nitrogen plasma. To extract the vibrational temperature, and relative species density from the observed emission intensities, the theoretical intensity ratio was calculated while taking into account the properties of the CCD camera and optical filters. The method achieved a high spatial resolution—better than 0.2 mm across an area of 100 mm × 35 mm. The results obtained exhibited over 84 % agreement with those obtained via conventional spectrum-based analysis. The vibrational temperature of N₂(B) and the relative densities of N₂(C) and N₂⁺(B) were the highest near the grounded electrode of the plasma reactor, while vibrational temperature of N₂(C) was the highest at the powered electrode surface. The results demonstrate that plasma parameters can be rapidly monitored over the entire region in a single measurement using simple optical equipment, without the need for point-by-point scanning as in the conventional method.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126913"},"PeriodicalIF":4.6,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145093412","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":"Classification of secondary explosives with a 1D convolutional neural network technique using terahertz time-domain spectroscopy in reflection geometry","authors":"Naveen Periketi,&nbsp;Anil Kumar Chaudhary","doi":"10.1016/j.saa.2025.126924","DOIUrl":"10.1016/j.saa.2025.126924","url":null,"abstract":"<div><div>Terahertz time-domain spectroscopy (THz-TDS) stands out as a prominent spectroscopic technique ideal for identifying explosives. The integration of THz data with machine learning models enables rapid identification and classification of explosive molecules. The paper reports the terahertz time domain spectral study of premium explosives such RDX, HMX, TNT, PETN &amp; Tetryl in reflection geometry. We have recorded the absorption spectra and refractive index of the explosives in the frequency range of 0.2 THz–3 THz. Principal component analysis (PCA) was employed for extracting the essential features from the data. In the next step, supervised machine learning algorithms such as support vector mechanism (SVM), K-Nearest neighbor (KNN), and Random Forest (RF) along with principal component analysis were used for the classification of these explosives based on the terahertz spectral data such as absorption spectra, refractive index and Fast Fourier's transform (FFT). The prediction accuracies achieved by supervised machine learning models were above 90 %. In addition, a one-dimensional convolutional neural network (1D-CNN) was implemented for classification, which has outperformed traditional machine learning models by achieving prediction accuracies greater than 95 %. The study has demonstrated that a combination of terahertz spectroscopy and 1D-CNN proves to be an efficient and practical tool for the identification of explosives.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126924"},"PeriodicalIF":4.6,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145093384","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":"Rapid discrimination of Artemisia Argyi Folium origin using three-dimensional fluorescence combined with Chemometrics","authors":"Kangyan Zhang ,&nbsp;Yongshun Chen ,&nbsp;Zhenxiang Yuan,&nbsp;Chenyang Guo,&nbsp;Wanjun Long,&nbsp;Haiyan Fu","doi":"10.1016/j.saa.2025.126926","DOIUrl":"10.1016/j.saa.2025.126926","url":null,"abstract":"<div><div>Artemisia Argyi Folium (AAF), as a prominent gynecological medicine in traditional medicine practice, is renowned for its effects in warming meridians to stop bleeding, dissipating cold and alleviating pain. It is frequently used to treat symptoms such as menstrual disorders and uterine cold infertility. The therapeutic efficacy and quality of AAF are significantly influenced by its geographical origin, leading to substantial regional variations. This study aims to establish an accurate and efficient method for discriminating the geographical origin of AAF by combining three-dimensional fluorescence technology with chemometrics. Initially, the PARAFAC algorithm was employed to comprehensively analyze the fluorescence fingerprint spectra of AAF samples. The fluorescence patterns observed in the AAF from five distinct origins exhibit comparable luminophore properties; however, their intensities vary. The presence of luminescent characteristics can likely be attributed to the chemical composition of AAF, with particular emphasis on flavonoids and polyphenols. To classify AAF samples by their geographical origin, several modeling approaches were utilized: U-PLS-DA, PLS-DA, and LDA. Significantly, the U-PLS-DA model demonstrated exceptional performance, achieving 100 % recognition accuracy for both the training and independent test sets, enabling precise differentiation among the five geographical locations. This research not only offers a dependable approach for origin identification of Artemisia Argyi Folium, ensuring the quality and efficacy of the herb, but also opens up new directions for provenance tracking studies of other Chinese medicinal materials, demonstrating broad application prospects and far-reaching impacts.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126926"},"PeriodicalIF":4.6,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145103221","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":"Rational design of Ca3HfSi2O9:Ce3+, Tb3+ dual-mode luminescence thermometer: uniting high sensitivity, outstanding signal resolution and detectable emission","authors":"Xufeng Zhou ,&nbsp;Jianyan Ding ,&nbsp;Wanying Geng ,&nbsp;Quansheng Wu","doi":"10.1016/j.saa.2025.126912","DOIUrl":"10.1016/j.saa.2025.126912","url":null,"abstract":"<div><div>The continuous progress in the development of luminescence thermometers highlights the importance of achieving high sensitivity, excellent signal resolution, and detectable emission. To tackle these challenges, the dual-emitting luminescence thermometer Ca₃HfSi₂O₉:Ce³⁺, Tb³⁺ was successfully designed and synthesized through a systematic approach. The crystal structure, electronic structure, luminescence properties, and thermoluminescence behavior of Ca₃HfSi₂O₉ singly doped with Ce³⁺ or Tb³⁺, as well as co-doped with both Ce³⁺ and Tb³⁺, were systematically investigated. Ca₃HfSi₂O₉:Ce³⁺, Tb³⁺ achieves exceptional signal resolution by leveraging the substantial energy gap (&gt;4364 cm⁻¹) between the blue light emission of Ce³⁺ and the green light emission of Tb³⁺. A high relative sensitivity ranging from 1.2 %@298 K to 0.2 %@473 K is attained by exploiting the distinct temperature responses of Ce³⁺ and Tb³⁺. Additionally, the weak absorption of Tb³⁺ is compensated for through the sensitization effect of Ce³⁺ on Tb³⁺, enabling detectable emissions under high-temperature conditions. To demonstrate its practical applicability, the luminescence thermometer was encapsulated with epoxy resin to simulate chip temperature detection, achieving a temperature error of less than 1.5 % at 448 K.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"346 ","pages":"Article 126912"},"PeriodicalIF":4.6,"publicationDate":"2025-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060430","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}