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

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A smart photosensitive fluorescent probe for sensing Co2+ in extremely alkaline aqueous solution
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126159
Yiming Zhang , Yujie Wang , Ruilin Shi , Bingxuan Huang , Shaoyin Wei , Yuji Wang , Nao Xiao
{"title":"A smart photosensitive fluorescent probe for sensing Co2+ in extremely alkaline aqueous solution","authors":"Yiming Zhang ,&nbsp;Yujie Wang ,&nbsp;Ruilin Shi ,&nbsp;Bingxuan Huang ,&nbsp;Shaoyin Wei ,&nbsp;Yuji Wang ,&nbsp;Nao Xiao","doi":"10.1016/j.saa.2025.126159","DOIUrl":"10.1016/j.saa.2025.126159","url":null,"abstract":"<div><div>A novel pH-, viscosity-, and photo-sensitive polymorphic fluorescence probe <strong>NHP</strong> for sensing Co<sup>2+</sup> has been developed. The hydrazone-based <strong>NHP</strong> can be synthesized by only one step of reflux reaction and purified by washing with poor solvents. Three single crystals of <strong>NHP</strong>-1, <strong>NHP</strong>-2, and <strong>NHP</strong>-3 with different conformations were resolved. As a photo acid generator (PAG), the hydrogen atom on the imino group of the probe <strong>NHP</strong> can be shed with 365 nm ultraviolet (UV) light illumination or in alkaline conditions. Due to the above two conditions, the negatively charged ligand obtained after dehydrogenation of <strong>NHP</strong> can accelerate its chelation with Co<sup>2+</sup>. When irradiated with 365 nm UV light, the product (<strong>NHP<sub>2</sub>-Co<sup>2+</sup></strong> (I)) of <strong>NHP</strong> chelating with Co<sup>2+</sup> appears yellowish in aqueous solution. In a strong alkali aqueous solution, the chelate product (<strong>NHP<sub>2</sub>-Co<sup>2+</sup></strong> (II)) of <strong>NHP</strong> and Co<sup>2+</sup> showed bright blue-green fluorescence. The formed divalent Co(II) complex <strong>NHP<sub>2</sub>-Co<sup>2+</sup></strong> can be oxidized to trivalent Co(III) complex <strong>NHP<sub>3</sub>-Co<sup>3+</sup></strong>, as confirmed by the resolution of single crystals of <strong>NHP<sub>3</sub>-Co<sup>3+</sup></strong>.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126159"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Confinement effect of zirconium metal–organic frameworks derived enhanced oxidase-like activity and stability of gold nanoclusters for biosensing
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126153
Pin Bai , Aifang Zhou , Mingyue Xie , Xintong Dong , Qianqian Zhu , Hong-Min Meng , Zhaohui Li
{"title":"Confinement effect of zirconium metal–organic frameworks derived enhanced oxidase-like activity and stability of gold nanoclusters for biosensing","authors":"Pin Bai ,&nbsp;Aifang Zhou ,&nbsp;Mingyue Xie ,&nbsp;Xintong Dong ,&nbsp;Qianqian Zhu ,&nbsp;Hong-Min Meng ,&nbsp;Zhaohui Li","doi":"10.1016/j.saa.2025.126153","DOIUrl":"10.1016/j.saa.2025.126153","url":null,"abstract":"<div><div>Gold nanoclusters (AuNCs), as an attractive material in heterogeneous catalysis, exhibit great potential in biosensing and biomedicine. However, controllable regulation of catalytic activity and preferable stabilization of AuNCs remain challenging. Benefiting from porous structures and ultrahigh specific surfaces, metal–organic frameworks (MOFs) have shown promising potential in the tailoring of catalytic activity and improving the stability of AuNCs. However, preferable catalytic activity and excellent stability are still challenging, due to the easy leaching of AuNCs from MOFs. Enhancing the combination between AuNCs and MOFs is of great significance. Herein, biomimic nanozymes of AuNCs@UiO-68 were designed through strong coordination between Zr atoms of the MOFs and phosphonate O atoms of DNA backbones from the DNA-templated AuNCs. Compared with control materials of AuNCs and AuNCs/UiO-68, a significant enhancement of oxidase-mimicking activity was achieved in AuNCs@UiO-68, owing to the confinement effect of Zr-MOFs. Additionally, it was found that the catalytic activity of AuNCs could be regulated by altering ligands of the Zr-MOFs. Based on the favorable catalytic activity of AuNCs@UiO-68, a highly sensitive and selective detecting platform for small uremic toxin molecule of hydroquinone was established, with a low detection limit of 0.85 μM. The stability of AuNCs was greatly improved by the proposed synthetic strategy. Besides, preferable and controllable catalytic activity was also obtained, attributed to the confinement effect of MOFs. This work provides a new way for rational regulation of catalytic activity and ameliorating the stability of metal clusters based nanozymes.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126153"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The enhanced excited-state intramolecular proton transfer energy barrier of flavonols induced by deprotonation
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126146
Jian Luo, Zheng Li, Mengrong Hu, Yuhan Xia, Qin Yu, Siyu Hou
{"title":"The enhanced excited-state intramolecular proton transfer energy barrier of flavonols induced by deprotonation","authors":"Jian Luo,&nbsp;Zheng Li,&nbsp;Mengrong Hu,&nbsp;Yuhan Xia,&nbsp;Qin Yu,&nbsp;Siyu Hou","doi":"10.1016/j.saa.2025.126146","DOIUrl":"10.1016/j.saa.2025.126146","url":null,"abstract":"<div><div>The barrierless excited-state intramolecular proton transfer (ESIPT) is believed to account for the non-radiative decays of flavonols composed of 5-hydroxyl group. However, the ESIPT mechanisms of flavonol anions have never been elucidated. In this work, by using the time-dependent density functional theory (TDDFT) calculations, we have determined the barrierless ESIPT in kaempferol and galangin, in agreement with their non-emissive properties. In contrast, deprotonation at the position 7 of them is demonstrated to decrease the basicity of proton acceptor and acidity of proton donor in the excited state, largely increasing the ESIPT barrier and leading to the fluorescence emission from the normal state. A further deprotonation of mono-deprotonated kaempferol is inferred to induce blue shifted emission. These results elucidate the nature of emissive flavonol anions and give a deep insight into the optical properties of flavonols in different matrices.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126146"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A photostable luminescent iridium(III) complex probe for imaging endogenous mitochondrial sulfur dioxide in living cells
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126147
Mengzhao Jia , Jia Wu , Xiaolei Wu , Daniel Shiu-Hin Chan , Bingjie Hu , Chun-Yuen Wong , Chung-Hang Leung , Kai Yang , Wanhe Wang
{"title":"A photostable luminescent iridium(III) complex probe for imaging endogenous mitochondrial sulfur dioxide in living cells","authors":"Mengzhao Jia ,&nbsp;Jia Wu ,&nbsp;Xiaolei Wu ,&nbsp;Daniel Shiu-Hin Chan ,&nbsp;Bingjie Hu ,&nbsp;Chun-Yuen Wong ,&nbsp;Chung-Hang Leung ,&nbsp;Kai Yang ,&nbsp;Wanhe Wang","doi":"10.1016/j.saa.2025.126147","DOIUrl":"10.1016/j.saa.2025.126147","url":null,"abstract":"<div><div>Sulfur dioxide (SO<sub>2</sub>) is an important signaling gas molecule, but its aberration is highly associated with inflammatory diseases and cancers. Luminescence probes for SO<sub>2</sub> have emerged as essential instruments for elucidating its biological roles and facilitating disease diagnosis, owing to their high sensitivity and capabilities for real-time detection. Nevertheless, the majority of current probes lack subcellular selectivity and suffer from limited photostability. In this work, we develop an Ir(III)-based luminescence probe (<strong>Ir3</strong>) for the rapid, real-time, and accurate detection of SO<sub>2</sub> in aqueous solution. This probe exhibits low cytotoxicity and provides exceptional imaging of mitochondrial SO<sub>2</sub> in living cells. We anticipate that this probe will serve as a foundational tool for the advancement of effective imaging technologies for SO<sub>2</sub>, thereby enhancing the clinical and biomedical applications of Ir(III) complex-based detection probes.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126147"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Examining the adsorption and sensing characteristics of cytosine (CTE) on Y9N9 (Y = Al, B, Ga) nanorings using solvent effects, DFT, AIM and SERS analyses
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126148
Jamelah S. Al-Otaibi , Y. Sheena Mary , Unnati Jethawa , Brahmananda Chakraborty , Maria Cristina Gamberini
{"title":"Examining the adsorption and sensing characteristics of cytosine (CTE) on Y9N9 (Y = Al, B, Ga) nanorings using solvent effects, DFT, AIM and SERS analyses","authors":"Jamelah S. Al-Otaibi ,&nbsp;Y. Sheena Mary ,&nbsp;Unnati Jethawa ,&nbsp;Brahmananda Chakraborty ,&nbsp;Maria Cristina Gamberini","doi":"10.1016/j.saa.2025.126148","DOIUrl":"10.1016/j.saa.2025.126148","url":null,"abstract":"<div><div>Nucleobases are nitrogenous biological compounds that are more significant in a range of biological and in medical applications. They are constituents of nucleotides in deoxyribonucleic acid (DNA) and ribonucleic acid (RNA). Therefore, we assessed the sensing applicability by studying the cytosine (CTE)-Y<sub>9</sub>N<sub>9</sub> (Y = Al, B, Ga) nanoring interaction using density functional theory. It was evident that CTE interacted strongly with each ring. Due to charge transfer between the nanoring and CTE, a dipole moment (DM) is generated. All complexes have band gaps less than that of CTE. Complexes’ band gap energies are lower in aqueous phase and vacuum than they are in pristine rings. All complexes exhibit higher adsorption energies in solvent medium in comparison with that in vacuum. Changes in the frontier molecular orbitals (FMOs) energies of nanorings after interaction have a major impact on their electrical conductivity and work function. In addition to being an electrical sensor, the Y<sub>9</sub>N<sub>9</sub> nanorings for CTE can also be utilized as a work function-based sensor. But Y<sub>9</sub>N<sub>9</sub>′s CTE recovery time indicates that it can be used to extract or store CTE depending on the environment. The current work can be expanded to examine the impact of Ag/Au/Cu doping using Y<sub>9</sub>N<sub>9</sub> in order to examine the characteristics of drug delivery carriers and the consequence of doping. The interaction between the analyte and substrate was further studied using reduced density gradient (RDG) analysis, comparing the nature and strength of the interaction in both vacuum and aqueous medium. The observations revealed a stronger interaction in the presence of an aqueous medium, which aligns with the higher adsorption energy values.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126148"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Terahertz and Raman vibrational spectroscopy detection and structural analysis of acyclovir hydrate polymorphs
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126093
Qiuhui Zhao , Jiale Zhang , Yaqi Jing , Jiadan Xue , Jianjun Liu , Jianyuan Qin , Zhi Hong , Yong Du
{"title":"Terahertz and Raman vibrational spectroscopy detection and structural analysis of acyclovir hydrate polymorphs","authors":"Qiuhui Zhao ,&nbsp;Jiale Zhang ,&nbsp;Yaqi Jing ,&nbsp;Jiadan Xue ,&nbsp;Jianjun Liu ,&nbsp;Jianyuan Qin ,&nbsp;Zhi Hong ,&nbsp;Yong Du","doi":"10.1016/j.saa.2025.126093","DOIUrl":"10.1016/j.saa.2025.126093","url":null,"abstract":"<div><div>Drug and water molecules combine in different proportions and arrangements in the crystal lattice, forming hydrated polymorphs with unique physicochemical properties due to intermolecular interaction variations. In this experiment, we successfully prepared two hydrated forms of acyclovir(ACV) under controlled conditions and characterized them using terahertz(THz) and Raman spectroscopy. Significant differences were observed in THz spectra, while Raman differences were minor. To investigate their vibrational modes, we performed simulations on multiple structural fragments using Gaussian software and conducted solid-state density functional theory(DFT) calculations with the Crystal software. Analysis showed similar internal packing modes, explaining the Raman similarity. Furthermore, vibrational mode assignment revealed the considerable impact of intermolecular hydrogen bonds on ACV molecular structure and vibrational modes during crystallization. This study offers a new perspective on ACV hydrate polymorphism and important theoretical support for drug development and quality control.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126093"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768210","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A novel fluorescence and colorimetric dual sensing system for rapid and sensitive detection of histidine based on TSPP-CA
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-31 DOI: 10.1016/j.saa.2025.126145
Dajie Zou , Chenyan Lu , Yanyan Jia , Huan Wang , Jiuli Wang
{"title":"A novel fluorescence and colorimetric dual sensing system for rapid and sensitive detection of histidine based on TSPP-CA","authors":"Dajie Zou ,&nbsp;Chenyan Lu ,&nbsp;Yanyan Jia ,&nbsp;Huan Wang ,&nbsp;Jiuli Wang","doi":"10.1016/j.saa.2025.126145","DOIUrl":"10.1016/j.saa.2025.126145","url":null,"abstract":"<div><div>Histidine (His) plays an important role in human health and life activities. It will harm human health when His intake is insufficient or excessive. Its residue also will pollute the natural environment. Therefore, establishing a reliable and sensitive method for detecting histidine is particularly important. However, most of the existing detection methods of His rely on the single change of single signal, which are susceptible to interference from testing environmental factors and prone to generating false positive results. In contrast, the fluorescence and colorimetric dual-signal sensing system can not only effectively improve the reliability of detection, but also significantly reduce the risk of false positives. Therefore, the dual-signal sensing system has gradually become the research hotspot. Based on this, 5,10,15,20-tetra-(4-sulfophenyl) porphyrin (TSPP) was selected as the fluorescence and colorimetry dual-signal probe for the rapid detection of His in this study. Since TSPP could interact with many substances due to the specificity of molecular structure, it is the best choice to build an “ON-OFF-ON” sensing system in order to improve the specificity of the sensing system. Therefore, citric acid (CA) as an intermediate based on TSPP probe was successfully developed fluorescence and colorimetric dual-sensing system for the quantitative detection of histidine in real samples. The signal of the dual sensing system was “turned on” when the red TSPP solution obtained the fluorescence emission wavelength of 642 nm at the 514 nm optimal excitation wavelength and the UV–Vis absorption at 413 nm, respectively. The fluorescence intensity and absorbance of TSPP gradually decreased with the introduction of CA. At this time, the signal of the dual-sensing system became “turned off”, and the color of the solution changed from light pink to light green. The quenched fluorescence intensity and absorbance, however, was restored upon the introduction of histidine into the system. Simultaneously, the color of the solution changed from light green to light pink, and the dual-sensing system became “turned on”. Therefore, a novel fluorescence and colorimetric dual-signal sensing system based on TSPP was proposed for histidine detection. The results indicated that the linear ranges of the fluorescence sensing system were 8.34 × 10<sup>−6</sup> M − 1.51 × 10<sup>−4</sup> M and 1.85 × 10<sup>−4</sup> M − 1.4 × 10<sup>−3</sup> M with detection limits of 0.282 μM and 10.91 μM (LOD, S/N = 3), respectively. The linear range of the colorimetric sensing system was 2.04 × 10<sup>−4</sup> M–4.35 × 10<sup>−4</sup> M with a detection limit of 11.97 μM (LOD, S/N = 3). Meanwhile, the dual-sensing system provided a promising platform for practical samples sensing applications.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126145"},"PeriodicalIF":4.3,"publicationDate":"2025-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Carbazolylphenyl ethynyl anthracenes as TTA emitters with improved horizontal alignment for the applications in OLEDs and for optical detection of the nitroaromatic explosive compounds
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-29 DOI: 10.1016/j.saa.2025.126127
Oleksandr Bezvikonnyi , Pavel Arsenyan , Alla Petrenko , Ehsan Ullah Rashid , Audrius Bucinskas , Zheng-Yu Wei , Jiun-Haw Lee , Tien-Lung Chiu , Dmytro Volyniuk , Sergey Belyakov , Mariia Stanitska , Oleksandr Navozenko , Mykhaylo Losytskyy , Juozas V. Grazulevicius
{"title":"Carbazolylphenyl ethynyl anthracenes as TTA emitters with improved horizontal alignment for the applications in OLEDs and for optical detection of the nitroaromatic explosive compounds","authors":"Oleksandr Bezvikonnyi ,&nbsp;Pavel Arsenyan ,&nbsp;Alla Petrenko ,&nbsp;Ehsan Ullah Rashid ,&nbsp;Audrius Bucinskas ,&nbsp;Zheng-Yu Wei ,&nbsp;Jiun-Haw Lee ,&nbsp;Tien-Lung Chiu ,&nbsp;Dmytro Volyniuk ,&nbsp;Sergey Belyakov ,&nbsp;Mariia Stanitska ,&nbsp;Oleksandr Navozenko ,&nbsp;Mykhaylo Losytskyy ,&nbsp;Juozas V. Grazulevicius","doi":"10.1016/j.saa.2025.126127","DOIUrl":"10.1016/j.saa.2025.126127","url":null,"abstract":"<div><div>Synthesis and properties of the carbazolylphenyl ethynyl anthracenes with <em>tert</em>-butyl, methoxy, and methoxyethoxy groups are reported. The compounds exhibit remarkably high thermal stability with the temperatures of the onsets of thermal degradation exceeding 407 °C. The ionization potentials of the compounds range from 5.38 to 5.65 eV. Hole mobilities of the derivatives exceed 1 × 10<sup>−4</sup> cm<sup>2</sup> × V<sup>−1</sup>s<sup>−1</sup> at high electric fields. The photoluminescence quantum yields of the toluene solutions of the compounds are in the range of 86–97 %. The low-lying triplet excited states with the energy of 1.98 eV are detected experimentally and confirmed by the theoretical calculations utilizing density-functional theory for all the studied compounds. The long-lived photoluminescence with a lifetime of up to 0.19 ms is detected for the film of <em>tert</em>-butylcarbazole-based emitter. Triplet-triplet annihilation as an emissive mechanism of the emitters was discussed. The solid samples of dimethoxycarbazolyl-containing derivative shows photoluminescence quantum yield of 36 %. The triplet–triplet fusion is manifested by the long-lived electroluminescence of organic light emitting diode (OLED) with this compound as the emitter and the slope of 2 of the linear plot of brightness <em>versus</em> current density in log–log scale. The considerable quenching of emission of the dispersions of the compounds in THF/water mixtures with a volume fraction of water of 99 % is observed after the addition of picric acid. The respective Stern-Volmer constants are in the range of 6.3 × 10<sup>4</sup>-1.1 × 10<sup>5</sup> M<sup>−1</sup>.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126127"},"PeriodicalIF":4.3,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular level inelastic electron tunneling spectroscopy of protoporphyrin using scanning tunneling microscope
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-28 DOI: 10.1016/j.saa.2025.126126
Archana Thomas , S. Syamadas , K.B. Jinesh
{"title":"Molecular level inelastic electron tunneling spectroscopy of protoporphyrin using scanning tunneling microscope","authors":"Archana Thomas ,&nbsp;S. Syamadas ,&nbsp;K.B. Jinesh","doi":"10.1016/j.saa.2025.126126","DOIUrl":"10.1016/j.saa.2025.126126","url":null,"abstract":"<div><div>Protoporphyrin IX (PPIX) is a crucial biomarker for tumor recurrence and to detect glioma at an early stage.<!--> <!-->Conventional optical detection methods for PPIX lack molecular-level sensitivity due to interference from its fluorescence. Inelastic electron tunneling spectroscopy (IETS) can be used as a probing technique to develop a hyper-sensitive biosensor for PPIX. We employ a scanning tunneling microscope (STM) to investigate the vibrational levels of single molecules at room temperature. The IETS-STM measurements of PPIX on highly oriented pyrolytic graphite (HOPG) showed the self-assembly of the molecules with a molecular array spacing of 1.71 ± 0.02 nm, and the spectra exhibited distinguishable peaks even at elevated temperatures. Analysis of peak broadening around 400 cm<sup>−1</sup> conducted at temperatures ranging from 77 K to 300 K showed deviation from the expected theoretical limit of thermal broadening. The impact of temperature and voltage on tunneling electrons were also analyzed to gain insight into the drift of the electrons through PPIX molecules.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"337 ","pages":"Article 126126"},"PeriodicalIF":4.3,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143760423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A lead-free red fluorescent cesium rubidium europium perovskite for the detection of tetracycline by antenna effect
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-03-28 DOI: 10.1016/j.saa.2025.126128
Cheng-Kang Yang , Hai-Chi Zhang , Jing Cheng , Yong-Hui Xu , Xing-Wang Liu , Xin Wang , Rong Sheng Li , Jian Ling , Qiue Cao
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