Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献_第8页

Loading fluorescent dyes into MOF pores for the optical sensing and adsorption of heavy metal ions: synthesis, characterization, and performance 将荧光染料加载到MOF孔中用于重金属离子的光学传感和吸附：合成、表征和性能

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-01 DOI: 10.1016/j.saa.2025.126323

Xiaoqiang Pu , Juan Zhao

{"title":"Loading fluorescent dyes into MOF pores for the optical sensing and adsorption of heavy metal ions: synthesis, characterization, and performance","authors":"Xiaoqiang Pu , Juan Zhao","doi":"10.1016/j.saa.2025.126323","DOIUrl":"10.1016/j.saa.2025.126323","url":null,"abstract":"<div><div>The detection and removal of Cu(II) cations are an important topic in environmental protection and human health. Optical sensing platforms based on luminescent probes seem attractive due to their optical signal outputs which are free of electromagnetic interference, low cost, fast response, and high sensitivity. In this work, two azobenzene-based sensing probes (P1 and P2) were synthesized, and their sensing performance was firstly evaluated by their spectroscopic response towards various ions. P1 showed good sensing selectivity towards Cu<sup>2+</sup> by forming an adduct with stoichiometric ratio of 1:1, as confirmed by Job’s plot, NMR, XPS, and EPR (electron paramagnetic resonance) comparison. P2 showed sensing behavior not only towards Cu<sup>2+</sup> but also towards Fe<sup>2+</sup>, Fe<sup>3+</sup>, and Hg<sup>2+</sup> due to the increased bonding affinity of –OH group. These two azobenzene-based probes were then covalently loaded into a MOF (metal–organic framework) matrix of bio-MOF-1 to endow it with optical sensing ability, as well as to improve the adsorption stability/capacity for metal cations. P<sub>n</sub>@BMOF (n = 1, 2) samples were characterized by SEM, XRD, N<sub>2</sub> adsorption/desorption, IR, and elemental analysis. Their optical sensing and adsorption performance for metal cations were evaluated as well. Linear working equations were obtained with quenching constants and LOD values of 0.0884 μM<sup>−1</sup> and 0.22 μM for P1@BMOF, and 0.0998 μM<sup>−1</sup> and 0.20 μM for P2@BMOF. The adsorption levels for Cu<sup>2+</sup> were determined as 0.97 mmol/g for P1@BMOF and 1.03 mmol/g for P2@BMOF.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126323"},"PeriodicalIF":4.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143918176","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

Exploring cellular metabolic kinetics through spectroscopic analysis of extracellular environments 通过细胞外环境的光谱分析探索细胞代谢动力学

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-01 DOI: 10.1016/j.saa.2025.126308

Zohreh Mirveis , Nitin Patil , Hugh J. Byrne

{"title":"Exploring cellular metabolic kinetics through spectroscopic analysis of extracellular environments","authors":"Zohreh Mirveis , Nitin Patil , Hugh J. Byrne","doi":"10.1016/j.saa.2025.126308","DOIUrl":"10.1016/j.saa.2025.126308","url":null,"abstract":"<div><div>Studying the kinetics of metabolic pathways, such as glycolysis and glutaminolysis, is valuable due to their fundamental links to various diseases, including cancer. This study explores the potential of Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy for analysing low concentrations of metabolites in extracellular media. It also evaluates the use of the Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) method to data mine the kinetic evolution of the spectroscopic signatures of the glycolysis metabolic pathway and to explore the impact of the presence of glutamine on it. By extracting samples at specific time intervals and drying them on the ATR crystal, ATR-FTIR could effectively measure individual metabolites of glucose, glutamine and lactate at low concentrations, providing clear spectra with strong correlations between peak absorbance and metabolite concentrations. In data mining, MCR-ALS successfully resolved two components, glucose and lactate, from time-series data of cellular glucose metabolism (glycolysis), showing approximately 28 % glucose consumption and 1 mM lactate production at a constant rate of 0.0016 min<sup>−1</sup>. However, when glutamine was introduced as a third component, the overlap of the peaks of glutamine and lactate limited the method’s ability to deconvolute the data, highlighting constraints of MCR-ALS in complex mixtures.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126308"},"PeriodicalIF":4.3,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903256","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

Porphyrin doped europium/black phosphorus nanoarchitectonics as the sensor of L-arginine and gram-negative bacteria 卟啉掺杂铕/黑磷纳米结构作为l -精氨酸和革兰氏阴性菌的传感器

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-30 DOI: 10.1016/j.saa.2025.126305

Wei-Jian Kong , Wei-Guo Wang , Qiu-Yun Chen , Gao-Ji Wang , Feng Chen

{"title":"Porphyrin doped europium/black phosphorus nanoarchitectonics as the sensor of L-arginine and gram-negative bacteria","authors":"Wei-Jian Kong , Wei-Guo Wang , Qiu-Yun Chen , Gao-Ji Wang , Feng Chen","doi":"10.1016/j.saa.2025.126305","DOIUrl":"10.1016/j.saa.2025.126305","url":null,"abstract":"<div><div>The L-arginine (L-Arg) in Escherichia coli (<em>E. coli</em>) is associated with the biofilm formation and drug resistance evolution. The detection of L-Arg and <em>E. coli</em> is meaningful to the control of pathogen infection. Herein, porphyrin modified europium black phosphorus (BP) nanoarchitectonics (labelled as BPEu@TAC) was synthesized and characterized by a variety of spectroscopic methods. The existence of Eu(II/III)-BP was confirmed by XPS data and Raman spectra. It was found that L-Arg can turn on the emission at 548 nm of BPEu@TAC with a visual color change, while other amino acids showed less effect. The detection limit of L-Arg is <em>ca.</em> 2.02 μM. In particular, the fluorescence response of BPEu@TAC to bacteria is related to the concentration of L-Arg. BPEu@TAC + L-Arg system was more sensitive to <em>E. coli</em> than <em>S. aurus</em>. The fluorescence emission change of BPEu@TAC + L-Arg system is affected by the concentration of <em>E. coli</em>. Therefore, BPEu@TAC can sense the level of L-Arg and the metabolism of L-Arg in <em>E. coli</em>.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126305"},"PeriodicalIF":4.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895189","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 ratiometric and rapid-response fluorescent nanoprobe based on modification of carbon quantum dots by naphthalimide for HClO bioimaging in living cells and mice 基于萘酰亚胺修饰碳量子点的比例快速反应荧光纳米探针用于活细胞和小鼠HClO生物成像

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-30 DOI: 10.1016/j.saa.2025.126321

Kedian Xu, Ruiqing Liang, Ziqing Ye, Yunling Gao

{"title":"A ratiometric and rapid-response fluorescent nanoprobe based on modification of carbon quantum dots by naphthalimide for HClO bioimaging in living cells and mice","authors":"Kedian Xu, Ruiqing Liang, Ziqing Ye, Yunling Gao","doi":"10.1016/j.saa.2025.126321","DOIUrl":"10.1016/j.saa.2025.126321","url":null,"abstract":"<div><div>A ratiometric and rapid-response fluorescent nanoprobe (NA-CQDs) for the detection of hypochlorous acid based on naphthalimide (NA) modified carbon quantum dots (CQDs) has been prepared. The nanoprobe NA-CQDs showed blue fluorescence with a unique yellow fluorescence in the presence of HClO, accompanying the emission wavelength change from 457 nm to 538 nm. The fluorescence detection limit for HClO was 99 nM with a linear range from 0.1 to 32 μM. The nanoprobe exhibited a rapid response to HClO within 20 s. The sensing mechanism might be attributed to the oxidation and cleavage of <em>p</em>-aminophenylether group on the nanoprobe NA-CQDs, leading to the FRET process from the CQDs to the NA due to enhanced ICT of the NA portion. A series of real applications were conducted including spiked real water samples, test paper strips, and fluorescence bioimaging in RAW 264.7 and HepG2 cells and nude mice, highlighting the potential application of NA-CQDs for future environmental sensing and biosensing in living things.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126321"},"PeriodicalIF":4.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908255","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

Easy detection of S2− using oxidase-like nanozymes of Fe,N co-doped hollow mesoporous carbon nanospheres via colorimetric method 利用Fe，N共掺杂中空介孔碳纳米球氧化酶样纳米酶的比色法检测S2−

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-30 DOI: 10.1016/j.saa.2025.126322

Feijin Zhou , Wenying Cui , Chenggang Liu, Cheng Yao, Chan Song

{"title":"Easy detection of S2− using oxidase-like nanozymes of Fe,N co-doped hollow mesoporous carbon nanospheres via colorimetric method","authors":"Feijin Zhou , Wenying Cui , Chenggang Liu, Cheng Yao, Chan Song","doi":"10.1016/j.saa.2025.126322","DOIUrl":"10.1016/j.saa.2025.126322","url":null,"abstract":"<div><div>The excessive presence of S<sup>2−</sup> poses significant risks to human health and the environment. Therefore, the development of novel S<sup>2−</sup> sensing methods remains crucial in daily life. Herein, Fe–N hollow mesoporous carbon nanospheres (Fe–N HMCNSs), characterized by a high specific surface area and excellent stability, were successfully prepared. Further investigation revealed that the colorimetric substrates such as 2,2′-azino-bis(3-ethylbenzthiazoline-6-sulphonate) (ABTS), o-phenylenediamine (OPD), and 3,3′,5,5′-tetramethylbenzidine (TMB), can be effectively oxidized by Fe–N HMCNSs into colored products. Based on the oxidase-like activity of Fe–N HMCNSs, a facile colorimetric method for S<sup>2−</sup> assay was constructed for the first time. The recognition of S<sup>2−</sup> could be fulfilled by recording the absorbance intensity and observing color changes in nanozymes-based catalytic systems. This method is simple, cost-effective, and environment-friendly, offering a wide linear range (0.25–25 µM) and a low detection limit (42.2 nM) for S<sup>2−</sup> assay. Furthermore, integration of smartphone-based RGB analysis enabled the portable and convenient S<sup>2−</sup> sensing using the developed colorimetric sensor. The remarkable stability of Fe–N HMCNSs under harsh conditions endows their potential applications in the fields of food safety and environmental protection.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126322"},"PeriodicalIF":4.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143903258","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

Plasmonic Ag NPs encapsulated in flexible 2D Ti3C2Tx: An ingenious SERS active platform for ultrastable anticounterfeiting in optical steganography 柔性二维Ti3C2Tx封装的等离子体银纳米粒子：一种用于光学隐写术中超稳定防伪的巧妙SERS有源平台

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-30 DOI: 10.1016/j.saa.2025.126320

Hua Zhang , Linlin Xu , Yue Tian , Anxin Jiao , Ming Chen

{"title":"Plasmonic Ag NPs encapsulated in flexible 2D Ti3C2Tx: An ingenious SERS active platform for ultrastable anticounterfeiting in optical steganography","authors":"Hua Zhang , Linlin Xu , Yue Tian , Anxin Jiao , Ming Chen","doi":"10.1016/j.saa.2025.126320","DOIUrl":"10.1016/j.saa.2025.126320","url":null,"abstract":"<div><div>Optical anticounterfeiting labels based on surface-enhanced Raman scattering (SERS) with enriched molecular “fingerprint” information is not only related to the enhanced sensitive detection but also strongly dependent on excellent long-time stability of nano-platforms. By virtue of in-situ overgrowth of highly dense and close-packed Ag nanoparticles (NPs) on Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> nanosheets, herein, we prepared an extraordinary SERS active nano-substrates with exceptional long-term stability for achieving ultrastable anticounterfeiting tags. The obtained Ag@Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> exhibit a significantly SERS activity with a detection limit of methylene blue (MB) molecules as low at 10<sup>-16</sup> M, approaching 0.1 femtomole (fM) ultra-trace level. More importantly, since nearly all active Ag NPs were completely encapsulated in the 2D supports, the unparalleled stability of the resultant Ag@Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> can be undoubtedly verified by immersing them into H<sub>2</sub>O<sub>2</sub> oxidative solution, which is obviously better than that of bare Ag NPs. Then, the hybrid Ag@Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub> were subsequently incorporated into polydimethylsiloxane (PDMS) to obtain transparent flexible Ag@Ti<sub>3</sub>C<sub>2</sub>T<sub>x</sub>@PDMS, giving rise to the ultra-sensitive SERS imaging-based steganographic information. Interestingly, the ultrastable anticounterfeiting capability of the smart SERS nano-platforms is further highlighted by keeping them even after for 400 days storage. The present work holds a great potential for propelling robust SERS-based steganography in many practical real-world scenarios.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126320"},"PeriodicalIF":4.3,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908254","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 feasibility of detection of trace elements in corn stover based on their interference effect on the near-infrared peak of water 利用玉米秸秆中微量元素对水分近红外峰的干扰效应，探讨了检测玉米秸秆中微量元素的可行性

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-29 DOI: 10.1016/j.saa.2025.126307

Ruoyu Wu, Junjie Xue, Hongqian Tian, Hongyan Gao, Qi Zhao, Changqing Dong

{"title":"The feasibility of detection of trace elements in corn stover based on their interference effect on the near-infrared peak of water","authors":"Ruoyu Wu, Junjie Xue, Hongqian Tian, Hongyan Gao, Qi Zhao, Changqing Dong","doi":"10.1016/j.saa.2025.126307","DOIUrl":"10.1016/j.saa.2025.126307","url":null,"abstract":"<div><div>Trace elements affect various processes of biomass utilization, and it is necessary to measure them. Near-infrared spectroscopy (NIRS) can quickly and accurately detect multiple components in biomass. However, trace elements have no absorption peaks in the NIR spectral region. It is challenging to detect trace elements by NIRS. In this study, the feasibility of NIRS for the detection of trace elements in biomass was investigated by utilizing the interference effect of trace elements on chemical bonding in biomass. The corn stover powder was selected for the study. The samples were pretreated by drying, water-washing, acetic acid washing, and nitric acid washing. By studying the spectra of different samples, it was found that the trace elements interfered with the absorption peaks of O–H bonds at 1140 nm – 1160 nm, 1260 nm – 1320 nm, 1440 nm – 1500 nm, and 1560 nm – 1600 nm, and C–H bonds at 1320 nm – 1360 nm in the corn stover samples. Meanwhile, the free and bound water contents in the samples affect this interference. Among them, the free water content of the sample has a more significant effect on the interference of trace elements. In the wavelength bands of 1100 nm – 1180 nm, 1240 nm – 1360 nm, 1380 nm – 1500 nm, and 1550 nm – 1650 nm, the higher the free water content of the sample, the more pronounced the interference effect of trace elements. This study provides a theoretical basis for detecting trace elements in biomass by NIRS.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126307"},"PeriodicalIF":4.3,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143895190","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

Biochemical characterization of the strict anaerobic Gram-negative bacteria Tannerella forsythia by infrared micro-spectroscopy 严格厌氧革兰氏阴性菌连翘单宁菌的红外光谱生化表征

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-29 DOI: 10.1016/j.saa.2025.126317

Geraldo Magno Alves de Abreu , Inglid Fontoura , Maiara Lima Castilho , Sônia Khouri Sibelino , Claudio Alberto Téllez Soto , Airton Abrahão Martin

{"title":"Biochemical characterization of the strict anaerobic Gram-negative bacteria Tannerella forsythia by infrared micro-spectroscopy","authors":"Geraldo Magno Alves de Abreu , Inglid Fontoura , Maiara Lima Castilho , Sônia Khouri Sibelino , Claudio Alberto Téllez Soto , Airton Abrahão Martin","doi":"10.1016/j.saa.2025.126317","DOIUrl":"10.1016/j.saa.2025.126317","url":null,"abstract":"<div><div><em>Tannerella forsythia</em> is a fastidious S-layer Gram-negative, strict anaerobic, and highly pleomorphic bacterium associated with periodontal inflammatory processes, bone loss, cardiovascular mortality, systemic sequelae, sepsis, and preterm birth. One of the purposes of this study was to characterize, for the first time, <em>Tannerella forsythia</em> (ATCC 43037) using Fourier transform infrared micro-spectroscopy. The analysis aimed to establish a suitable methodology for obtaining reproducible spectra for the characterization of this microorganism, as well as to assign the vibrational bands using techniques such Fourier self-deconvolution analysis (FSD) and second derivative spectral followed by Gaussian band fitting. The study was carried out in triplicate, yielding a total of 25 spectra per culture and 75 spectra across replicates. This methodology can be applied to the biochemical identification and characterization of <em>Tannerella forsythia</em>.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126317"},"PeriodicalIF":4.3,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143902204","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

Mitochondrial viscosity, oxidative stress and autophagy responsive fluorescent Zn(II) complex for monitoring non-alcoholic fatty liver disease 线粒体粘度、氧化应激和自噬反应荧光Zn（II）复合物监测非酒精性脂肪肝

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-29 DOI: 10.1016/j.saa.2025.126319

Yu Zhang , Ya–Ping Wang , Hui–Li Sun , Xiao–Dong Zhang , Shao–Qi Guan , Mei Pan

{"title":"Mitochondrial viscosity, oxidative stress and autophagy responsive fluorescent Zn(II) complex for monitoring non-alcoholic fatty liver disease","authors":"Yu Zhang , Ya–Ping Wang , Hui–Li Sun , Xiao–Dong Zhang , Shao–Qi Guan , Mei Pan","doi":"10.1016/j.saa.2025.126319","DOIUrl":"10.1016/j.saa.2025.126319","url":null,"abstract":"<div><div>Accumulating evidence highlights the critical role of dysfunctional mitochondrial quality control in the pathogenesis of non–alcoholic fatty liver disease (NAFLD). However, there is limited information available regarding of viscosity–related cellular metabolic processes of NAFLD. To address this, we developed a novel viscosity–sensitive fluorescent metal Zn(II) complex, LIFM–ZY–1, for monitoring viscosity changes with one–photon (OP) and two–photon (TP) fluorescence. It could effectively track cellular oxidative stress induced by lipotoxicity with viscosity changes, as reflected by viscosity changes in the OP/TP channel. Besides, LIFM–ZY–1 was capable of detecting non–selective mitophagy triggered by starvation in real time and selective mitophagy induced by autophagy drug rapamycin. Moreover, LIFM–ZY–1 successfully monitored the deterioration and therapeutic outcome of NAFLD mice with changing viscosity induced by overeating and autophagy drug empagliflozin. Overall, our findings demonstrated the potential of LIFM–ZY–1 as a valuable tool for real time monitoring NAFLD treatment through viscosity, oxidative stress and autophagy changes, offering valuable insights into the underlying biological processes and potential therapeutic strategies for NAFLD.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126319"},"PeriodicalIF":4.3,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143907611","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

Accurate rovibrational spectroscopy of relevant astrochemical complexes: CH4⋯CH4, CH4⋯N2 and CH4⋯Ar 相关天体化学配合物的精确旋转振动光谱：CH4⋯CH4、CH4⋯N2和CH4⋯Ar

IF 4.3 2区化学

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-04-28 DOI: 10.1016/j.saa.2025.126273

Cassius M.C. Carvalho , Ricardo Gargano , João B.L. Martins , José Roberto S. Politi

{"title":"Accurate rovibrational spectroscopy of relevant astrochemical complexes: CH4⋯CH4, CH4⋯N2 and CH4⋯Ar","authors":"Cassius M.C. Carvalho , Ricardo Gargano , João B.L. Martins , José Roberto S. Politi","doi":"10.1016/j.saa.2025.126273","DOIUrl":"10.1016/j.saa.2025.126273","url":null,"abstract":"<div><div>Rovibrational spectroscopic properties of CH<sub>4</sub>⋯CH<sub>4</sub>, CH<sub>4</sub>⋯N<sub>2</sub>, and CH<sub>4</sub>⋯Ar weakly bound complexes are relevant to astrophysics and astrochemistry, with particular interest to research on Titan’s atmosphere. Different methodologies were applied to achieve the high accuracy required to fill the data gap in the literature of these complexes, particularly regarding their most stable configuration. The strategy is based on the generation of potential energy curves (PECs) using the all-electron CCSD(T) method with Dunning basis sets (aug-cc-pVXZ, where X = D, T, Q, and 5), applying counterpoise correction (CP) for basis set superposition error (BSSE) and performing extrapolation to the complete basis set (CBS) limit, evaluating five extrapolation schemes. These curves were fitted with three functions, and the spectroscopic properties were obtained. Additionally, the decomposition lifetimes of the complexes as a function of temperature were determined. Therefore, the results overcame many published theoretical results and agreed with the experimental data available in the literature. Furthermore, it is worth emphasizing that the decomposition lifetime results correspond closely to the information on the Titan atmosphere, thereby indicating the reliability of the theoretical model in accurately describing this particular property. Moreover, most of these results, generated with the described methodology, were not found in the literature for the three systems to the best of our knowledge.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"340 ","pages":"Article 126273"},"PeriodicalIF":4.3,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899740","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