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Morphology evolution and NIR-II luminescence enhancement in LaF3:Er3+ nanoparticles Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-10
Puyan Hao, Tingting Li, Jiahui Ren, Rui Zhu, Mengzhen Jia, Yu Dong, Mandong Zhai, Xinyu Song, Xiaoqi ZhaoLuminescence imaging in the second near-infrared (NIR-II) window (1000–1700 nm) has attracted extensive attention in recent years owing to its superior tissue penetration ability and weak spontaneous fluorescence effects in biological tissues. However, an important bottleneck restricting the development of NIR-II luminescence imaging technology is the lack of nanoprobes with suitable morphology, particle
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Intermediate data fusion improves the accuracy of near-infrared spectroscopy and Raman spectroscopy for the detection of aflatoxin B1 in peanuts Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
CongLi Mei, Jihong Deng, Jian Li, Hui JiangThis study developed a convolutional neural network (CNN) model based on feature-level data fusion for quantitatively detecting aflatoxin B1 (AFB1) in peanuts. Using a portable near-infrared (NIR) spectrometer and a Raman spectrometer, NIR and Raman spectra were collected from peanut samples with varying levels of fungal contamination. The spectral data were then enhanced and preprocessed, and individual
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Distinct off–on fluorescence signal from dual-response lanthanide metal–organic frameworks for ratiometric sensing of anthrax biomarker Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
Ran Wu, Nan Wang, Rusi Hao, Yun-Lei Hou, Youguo Fan, Wenliang SunBacillus anthrax is a highly dangerous zoonotic pathogen that represents a significant threat to public health. 2,6-Dipicolinic acid (DPA) is typically designated as the primary biomarker of Bacillus anthrax, which is a distinctive major component of anthrax spores. The development of sensitive, efficient, and rapid detection of this marker has significant implications for the elimination of potential
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Superior peroxidase-like activities of InVO4 hollow nanocuboid assemblies for colorimetric detection of hydrogen peroxide and glucose Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
Juna Chen, Jingfei Hu, Jingtian Chi, Peng Hou, Wanwan Zhang, Yishan Jiang, Xiaofan Zhai, Peng JuIn this work, InVO4 hollow nanocuboid assemblies (IVHNs) with larger specific surface area were synthesized by a facile one-pot hydrothermal method, which were utilized as artificial biomimetic catalysts. In the presence of hydrogen peroxide (H2O2), the IVHNs nanozyme enchantingly displayed an extraordinary peroxidase-like performance, inducing the oxidation of the chromogenic compound 3,3′,5,5′-tetramethylbenzidine
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Analysis and interpretation of organic compounds in Martian meteorites with Raman imaging and chemometrics Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
Leire Coloma, Julene Aramendia, Jose Manuel Amigo, Iratxe Población, Fernando Alberquilla, Giulia Gorla, Jennifer Huidobro, Imanol Torre-Fdez, Gorka Arana, Juan Manuel MadariagaOne of the focuses of the research being developed on Mars (and consequently in samples from Mars) is the detection and study of organic compounds. Perseverance rover, currently analysing the Martian surface, is equipped with top-level instrumentation to detect mostly organic molecules. One of the techniques being used is Raman spectroscopy, due to its capability to analyse both inorganic and organic
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An integrated, portable sensing platform made with surface-immobilized fluorophore-appended silver nanotriangles for bimodal detection of mercury(II) ions Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
Rajeev Kumar Shandilya, Aniruddha Paul, Suvankar DasguptaA novel, yet simple and portable, sensing platform has been developed by using silver nanotriangles immobilized on a glass substrate and capped with an optical marker, which, just by dipping in an analyte solution in presence of iodide, can detect mercury (Hg2+) ions by both colorimetric and fluorometric detection modes. This method, which is highly selective for the Hg2+ ions, relies on the superior
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A fluorescent probe for detecting carboxylesterase level on investigating Chinese medicine water decoction efficacy Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
Jing-Yi Shi, Chao-Yue Wang, Yifan Xia, Meng-Ya Guo, Wen Yang, Yu-Shun Yang, Hai-Liang ZhuIn this work, a fluorescent probe ImPI-CE with the imidazo-pyridin-isovanillin sub-structure was developed and studied for monitoring the Carboxylesterase (CE) level in colorectal cells on evaluating the Chinese medicine water decoction efficacy. The advantages of ImPI-CE included rapid response, high stability, high sensitivity, high selectivity, and reliable anti-interference. The most significant
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Effect of extracorporeal circulation on structure of main components of animal plasma – ATR-IR and 2D-COS studies. Part II: Presence of antithrombotic drugs Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
S. Olsztyńska-Janus, M.A. CzarneckiAn application of extracorporeal circulation (ECC) requires using antithrombotic drugs to maintain blood fluidity and prevent thrombotic complications. The molecular mechanism of this process is not fully elucidated; therefore, we undertook an examination of the effect of antithrombotic drugs (aspirin and clopidogrel) on changes in the structure of the main plasma components during ECC. The spectral
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Two heterometallic MOFs fluorescence probes: Their syntheses, structures, and sensing properties Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-09
Yongyang Chen, Shuai Su, Ruijie Xu, Dechao Li, Yefang Yang, Wenping Hu, Wenting Li, Ming HuBased on a 2-(2,6-bis(pyrazine-2-yl)pyridine-4-yl) benzene-1,3,5-tricarboxylic acid ligand (H3pbta), two isomorphic d–f heterometallic organic frameworks with porous three-dimensional structures were successfully synthesized, namely, {[LnCd2(pbta)2Cl(H2O)4](H2O)4}n(1, Ln = Eu; 2, Ln = Tb). The experimental results indicated that complex 1 and 2 exhibited stable luminescence in a wide range of in aqueous
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The binding investigation of ziprasidone with calf thymus DNA by multiple spectrums and molecular docking Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Xiao-Yun Li, Xue-Chao Wang, Ruo-Hui Gao, Xiao-Juan Chen, Jing-Jing LuZiprasidone (Zi) is a 2-indolone drug that has been recommended as first-line medication for schizophrenic treatment by major guides of China and America. In this paper, the binding mode of Zi and calf thymus (ctDNA) was investigated for the first time. Fluorescence spectrum studies preliminary verified that Zi bound to groove region of ctDNA. UV–vis spectra showed obvious hyperchromicity at 260 nm
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A new bioluminescent probe for detecting formaldehyde in real food samples Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Ziyao Chen, Jie Zhong, Zhangyan Zhu, Chunmei Li, Zhenquan Su, Wenjun Li, Xianggui Chen, Shan QianFormaldehyde (FA) is an important type of reactive carbonyl species (RCS). The development of a rapid and efficient method to quantify FA in food and biological samples is necessary. Herein, we have developed the first bioluminescent probe FA-Fluc with homoallyl amine to cage firefly D-luciferin (Fluc), which could react almost completely with FA via aza-Cope rearrangement in 4 h to afford a turn-on
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Forensic classification of nail polish via ATR-IR and Raman spectroscopy: an artificial intelligence-based approach Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Ali KoçakNail polish is a prevalent form of trace evidence in forensic investigations, often linking suspects or victims to crime scenes. Traditional visual inspection methods are insufficient for reliably differentiating nail polish samples due to their complex composition and subtle variations across brands and formulations. This study evaluates the application of machine learning techniques to classify nail
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Rapid detection of procalcitonin using dual-color carbon quantum dots as fluorescent probes in FRET assay Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Yuxin Tian, Yuwei Du, Zhang Chen, Li Li, Ruhong Yan, Xiaoqiang Li, Juan YueFRET, known as Förster Resonance Energy Transfer, serves as a versatile technique enabling precise quantitative assessment of protein concentrations with minimal disruption to biological processes. In this study, we have developed two types of fluorescent carbon quantum dots, B-CDs and G-CDs, serving as donor and acceptor probes, respectively, for FRET-based procalcitonin (PCT) detection. The B-CDs
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Diagnostic performance of attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy for detecting osteoarthritis and rheumatoid arthritis from blood serum Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Minna Mannerkorpi, Shuvashis Das Gupta, Lassi Rieppo, Simo SaarakkalaOsteoarthritis (OA) and rheumatoid arthritis (RA) are the two most common rheumatic diseases worldwide, causing pain and disability. Both conditions are highly heterogeneous, and their onset occurs insidiously with non-specific symptoms, so they are not always distinguishable from other arthritis during the initial stages. This makes early diagnosis difficult and resource-demanding in clinical environments
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Simply structural, reversible and chemical stable ratiometric pH-responsive fluorescence probe of pyrene derivatives and its applications Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Jiawei Tang, Muxi Wang, Hongming Li, Qingjian Liang, Zhongyan Zhang, Hong Liu, Jian Sun, Li-Jun MaThe pyrene group is commonly used as a fluorophore in ratiometric fluorescence probes. However, these probes almost exclusively utilize the monomer/excimer of the pyrene group to achieve ratiometric fluorescence recognition for analytes. In the study, three structurally simple, mono-substituted pyrene derivatives, namely pyrene-1-ol (Probe1), pyren-1-ylboronic acid (Probe2), pyrene-1-carboxylic acid
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Excited-state intramolecular-proton-transfer-based fluorescent probe for the rapid detection of peroxynitrite in Alzheimer’s disease models Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Cuiyan Wu, Shiying Chen, Wei Huang, Kuicheng Zhao, Cong Fang, Feng Liu, Youyu Zhang, Haitao LiAlzheimer’s disease (AD) is a prevalent neurodegenerative disease that involves continuous pathophysiological processes and causes irreversible brain damage. Increasing evidence indicates that peroxynitrite (ONOO−) plays a vital role in the pathogenesis of AD by mediating neurotoxicity and neuroinflammation. Therefore, developing practical tools for the precise, rapid, and sensitive detection of ONOO−
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Fluorescent dendritic fibrous silica nano-microspheres for the sensitive recognition and efficient separation of 4-nitrophenol Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
Yuxiang Huang, Junyu Chen, Yanqin Ma, Yufan Wu, Xinjian Cheng, Cheng LiuGiven the significant impact of the toxic compound 4-nitrophenol (4-NP) on health and safety, its detection and separation have become key research objectives. In this study, a dual-functional fluorescent probe (Naph-DFNS-PPD) for adsorption and separation was designed by surface functionalization of dendritic fibrous nano-silica (DFNS). DFNS was first synthesize, and then modified. NH2-DFNS was obtained
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Synergistic luminescence enhancement in bi-sensitized praseodymium-doped barium cerates: Implications for white light emission in optoelectronics Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-08
S.V. Jasira, V.P. Veena, C.K. Shilpa, S.S. Ancy, Benjamin Hudson Baby, K. Greeshma, K.M. Nissamudeen, P. SakthivelPraseodymium-incorporated barium cerate perovskites (BaCeO3:1 wt% Pr3+) show promise for use in white LEDs. The present study focuses on the influence of bismuth as the sensitizer in the luminescence of BaCeO3:1 wt% Pr3+. The novel perovskites were prepared using a low-temperature solution combustion method, with citric acid (fuel) and ammonium nitrate (extra oxidizer). In this study involving co-doping
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Ratiometric responses of AIE/ACQ co-guests functionalized ZIF-8 nano-vehicles: Color-oriented ATP detection and intracellular imaging Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-07
Chenyi Xue, Xuefei Zhang, Yuanyue Wu, Jiacheng Li, Tianshu Zhou, Jingjing DengIn this work, two guests with opposite emission characteristics in aggregated states were rationally selected and delicately incorporated into zeolitic imidazolate framework-8 (ZIF-8) host. The simultaneous presentation aggregation-induced emission (AIE) of 1,1,2,2-Tetra (4-carboxyphenyl) ethylene (H4TCPE) and aggregation-caused quenching (ACQ) of 5-carboxytetramethylrhodamine (5-TAMRA) endowed the
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Cocrystallization of amantadine hydrochloride with nutrient: Insights into directed self- assembly and optimized biopharmaceutical character by integrating theory and experiment Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-07
Fan-Zhi Bu, Ming-Yu Zhao, Ling-Yang Wang, Zhi-Yong Wu, Yan-Tuan LiIn order to make full use of the advantages of phenolic acid nutraceutical p-coumaric acid (COA) in cocrystallizing with antiviral medication amantadine hydrochloride (ADH), further get innovative insights into assembling ADH-nutraceutical cocrystal and optimizing biopharmaceutical characters of ADH by combining experiment with theory, a novel cocrystal, ADH-COA, is prepared and structurally characterized
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Mitochondria-targeted bifunctional probes for monitoring SO2 and viscosity in diverse environments Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-07
Meixia Tan, Xiuzhi Xu, Lipeng Li, Yongtao Xu, Sunying Zhou, Yan Chen, Fang KeSulfur dioxide (SO2) and mitochondrial viscosity are critical indicators of both environmental and physiological health. However, simultaneous detection of these parameters remains challenging due to limitations in probe sensitivity and spectral overlap. In this study, we report the design and synthesis of two mitochondrial-targeted fluorescent probes, HVTI and HVTB, capable of simultaneously detecting
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Magnetic-plasmonic nanoparticle-based surface-enhanced Raman scattering for biomedical detection Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-06
Fengxue Wei, Yaling LiuSurface-enhanced Raman scattering (SERS) is a powerful spectroscopic technique that enables rapid, non-destructive, and susceptible detection of biological samples. The magnetic-plasmonic composite materials composed of magnetic and plasmonic nanoparticles have attracted extensive attention as SERS substrates in the biomedical field because of their ability to enrich, separate, and selectively identify
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Stochastic resonance-based Raman spectroscopy denoising Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-04
Junqiang Liu, Jijun TongRaman spectroscopy is a non-destructive technique that analyzes the vibrational modes and other properties of molecular systems by measuring scattered light from a laser. However, due to the short exposure time and low power of the excitation laser, Raman signals are often very weak, sometimes even weaker than the noise, making them prone to being overwhelmed by noise. This reduces sensitivity and
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A near-infrared fluorescence probe for sensing mitochondrial viscosity in cells and mice Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-04
Han-Yang Zou, Zhao-Chen Wang, Xiao-Hui Liu, Yi-Fan Du, Xiao-Qun Cao, Jizhen Shang, Shi-Li Shen, Xiao-Fan ZhangMitochondria play a critical role in providing energy to maintain cellular physiological functions. The viscosity in mitochondria is one of the important indicators of mitochondrial microenvironment. When mitochondrial viscosity increases, it often indicates the occurrence or development of certain diseases. Herein, a series of near-infrared (NIR) fluorescent probes (ZHY-1 ∼ 4) were developed to detect
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A novel AIEgen fluorescent probe based on quinoline-malononitrile for monitoring and imaging ClO− and viscosity in biosystem Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-03
Yiyan Huang, Zhihong Gong, Miaojie Wu, Zhenkuan Tan, Haichang Ding, Yuan Ji, Congbin Fan, Gang Liu, Shouzhi PuHypochlorite (ClO−) and viscosity play a pivotal role in biological immune defense systems, it has been demonstrated that alterations in ClO− may link to the modifications in intracellular viscosity. Consequently, it is crucial to develop a tool that can accurately assess these changes of ClO− and viscosity concurrently. In this work, a dual-responsive fluorescent probe QM-WV based on the ICT effect
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A target-response ratiometric or turn-off fluorescent dual-mode platform for simultaneous detection of multiple anticancer drugs Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-03
Da-Qian Feng, Wenfeng Zhang, Zhendi Yu, Hengye Li, Bo Fang, Guoliang LiuThe anthracycline including doxorubicin (DOX), daunorubicin (DAU) and mitoxantrone (MTX) plays crucial roles in human health due to their notably clinical efficacy in various malignant tumors. There is few molecular probe and abiotic sensor that can simultaneously discriminate among anthracycline drugs. Herein, a target-response ratiometric and turn-off fluorescent dual-mode platform was designed for
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In-situ, ultrasensitive, and specific detection of malachite green in fishes with handheld Raman spectrometer Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-03
Yaoyao Wu, Junlin Chen, Shaoen Zhang, Qingzhou Chen, Jianxin Sui, Xiudan Wang, Limin Cao, Kaiqiang WangThe presence of malachite green (MG) residues in aquatic products poses a significant threat to food safety. While label-free Surface-enhanced Raman scattering (SERS) technologies have been developed for detecting malachite green, it faces the challenge of limited sensitivity and specificity. A new immunochromatographic assay (ICA) based on SERS method using Au-DTNB@Ag-mAb as an immunoprobe was established
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Dual-functional carboxymethyl chitosan-coated silver nanoparticles for bacterial detection integrated with spectral processing and sterilization Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-03
Qingyi Wei, Jingjun Chen, Jingxiao Yu, Hongbin PuThe development of a dual-functional nanomaterial integrating microbial detection and sterilization capabilities are of great significance for advancing food safety applications. In this work, we synthesized carboxymethyl chitosan coated with spherical silver nanoparticles (CMCS@Ag NPs). CMCS@Ag NPs exhibited improved stability of surface-enhanced Raman scattering (SERS) signals compared to single
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Imidazo-phenanthroline based ratiometric optical sensing platform for cyanide and fluoride ions Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-03
Nidhi Goswami, Sudhanshu Naithani, Jimmy Mangalam, Vikas Yadav, Saakshi Saini, Partha Roy, Tapas Goswami, Sushil KumarThe severe toxicity and widespread distribution of fluoride (F−) and cyanide (CN−) ions in various environmental matrices highlight the urgent need for their efficient and reliable detection methods. In this study, we present a fluorogenic imidazo-phenanthroline based probe (L) for selective detection of F− and CN− in semi-aqueous medium. Probe L exhibits a pronounced ratiometric fluorescence response
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An acylaminoacyl-peptide hydrolase-activated fluorescent probe for ultrasensitive detection of pesticide residue Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-03
Le-Yu Huang, Huiling Wang, Yue-Yang Zhang, Shi-Yu LiuDue to increasing threats to global public health and widespread environmental pollution issues caused by improper and excessive application of pesticides, the detection of pesticide residues is important in securing food safety and responding to public health. However, conventional methods for pesticide residues detection were usually labor- and time-consuming, making the acquisition of efficient
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MIR spectroscopy in ATR mode for Sf9 insect cell line biochemical monitoring in bioprocesses Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-02
Luis Giovani de Oliveira Guardalini, Gabrielle Medeiros da Trindade, Jaci Leme, Thaissa Consoni Bernardino, Ana Paula Peinado, Wagner Quintilio, Soraia Attie Calil Jorge, Eutimio Gustavo Fernández NúñezThis work aimed to establish global models with adequate predictive capacity for monitoring nutrients, metabolites, density, and cell viability, based on mid-infrared (MIR) Spectroscopy data in attenuated total reflectance (ATR) mode together with chemometric techniques (Partial Least Squares, PLS; Artificial Neural Network, ANN). To perform biochemical monitoring of the Sf9 insect cell line growth
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Sustainable signal processing spectrophotometric analysis of candesartan, hydrochlorothiazide, and amlodipine: Green methods aligned with global sustainability goals Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-02
Hayam Mahmoud Lotfy, Gizem Tiris, Asena Ayse Genc, Reem Hasan Obaydo, Nevin ErkGreen Analytical Chemistry (GAC) aims to create eco-friendly methods for pharmaceutical analysis, with a focus on quality control. This study focuses on the simultaneous quantification of candesartan (CAN), hydrochlorothiazide (HCT), and amlodipine (AML) in a triple medication using two green spectrophotometric techniques. The study incorporates mathematical manipulation approaches to extract the parent
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Near-infrared pH-sensitive probes based on aza-Nile Blue for detecting interactions between mitochondria and lysosomes Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-02
Hui Wang, Xu Xu, Wen-Pei Ni, Ru Sun, Yi Zhang, Jian-Feng GeThe pKa values of mitochondrial fluorescent probes based on pH response differ significantly from the pH of the mitochondrial matrix, making the development of mitochondria-targeted pH probes with appropriate pKa values essential for accurately monitoring mitochondrial pH fluctuations. In this paper, three mitochondria-targeted near-infrared fluorescent probes 5a–5c were successfully developed by introducing
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Detection of green pepper impurities based on hyperspectral imaging technology Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-02
Jian Zhang, Lingkai Ma, Yujiang Gou, Weihai Xia, Xiangyu Chang, Haijun Liu, Ting AnTo date, the intelligent assessment of green pepper quality remains an open question, particularly in aspects of color, as impurities closely resemble green peppers. Here, the hyperspectral imaging technology was employed to acquire the original spectral and image information of green and impurities. Subsequently, the original information was processed, and then trained using the super vector machine
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Fluorescence-colorimetric dual detection method for quantitative detection of uric acid in urine based on the competitive oxidation between cerium (IV) and o-phenylenediamine induced by target substances Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Wentai Feng, Minjing Zhang, Jianhong Yan, Jiaying Tang, Jianing Zeng, Fanrong Ai, Xiangjuan Zheng, Xiluan YanA dual detection method combining fluorescence and colorimetry used for measuring uric acid (UA) has been developed. Ce4+ can undergo an oxidation reaction with o-phenylenediamine (OPD) to generate 2,3-diaminophenazine (oxOPD), which exhibits a yellow color and has UV–visible light absorption properties. When UA is introduced into the reaction system, it effectively inhibits the oxidation process between
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Construction of functionalized SERS substrates based on Schiff base reaction for detection of γ-aminobutyric acid in human serum Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Jia Liu, Boning Zhang, Haifeng Yang, Ye YingDue to the small molecular weight and low Raman activity of γ-Aminobutyric acid (GABA), a Schiff base reaction was introduced. 4-mercaptobenzaldehyde (4-MBA) was assembled onto AuNPs via Au-S bond to form functional nanoparticles (AuNPs@4-MBA). Then, under certain conditions, it reacts with GABA to form a Schiff base, which increases the Raman scattering cross section area and enhances the Raman signal
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Graphene oxide decorated with melamine-imprinted nanobeads for SERS detection of melamine in milk Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Zaib un Nisa Mughal, Gorkem Liman, Gulgun Aylaz, Huma Shaikh, Shahabuddin Memon, Muge AndacWe present a novel, cost-effective SERS substrate for melamine detection in milk. Melamine is a nitrogen-rich compound illegally used to indicate high protein content. We developed a hybrid substrate based on molecularly imprinted polymer nanobeads functionalized with graphene oxide (MIP nanobeads@fGO). MIPs act as a door for selective detection and provide chemical enhancement. fGO achieves further
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Unprecedented binding of Thioflavin T with well-ordered spherical aggregates: A false positive? Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Sukesh Shill, Rabu Ranjan Changmai, Gobinda Dolai, Manabendra Sarma, Bhubaneswar MandalAmyloidogenic protein aggregation is a hallmark of numerous neurodegenerative diseases, including Alzheimer’s and Parkinson’s diseases. Thioflavin T (ThT), which selectively interacts with fibrillar amyloid structures, holds significant promise for diagnostic and therapeutic applications. Herein, we investigate the binding behaviour of Thioflavin T (ThT), a widely employed amyloid-specific fluorophore
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Assessment of substrate properties of barley bran fermented by lactic acid bacteria using RGB reconstruction hyperspectral technology Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Yansheng Zhao, Jiapeng Cai, Kun Deng, Yufeng He, Juan Bai, Ying Zhu, Xiang XiaoRapid detection of substrate characteristics is crucial for precise control of the solid fermentation process. In this study, a method that reconstructs hyperspectral images from RGB images for detecting the characteristics of fermented barley bran substrates was explored. Using Competitive Adaptive Reweighted Sampling (CARS) to select key wavelengths, combined with a Multi-Scale Spectral Transformation
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Microfluidic-assisted synthesis of AuNPs/MoS2 substrate for surface-enhanced Raman scattering detection of adenine and cytosine in chicken Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Xiaoyan Xue, Jiani Yang, Ling Xia, Gongke LiSurface-enhanced Raman scattering (SERS) is a powerful analytical tool capable acquisition of molecular fingerprint information in a rapid and non-destructive manner. Poor reproducibility of SERS rising from non-uniform substrates is a challenge impeding its abroad application. In this work, a microfluidic-assisted nanomaterials synthesis approach was applied for uniformly generation of Au nanoparticles
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Templating assisted fabrication of flexible, highly stable and uniform plasmonic platform for ultrahigh enhancement of Raman and fluorescence signals: Model sensing of rhodamine-6G Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Riya Choudhary, Sachin Kumar SrivastavaRaman-fluorescence dual enhancement offers transformative potential in fields like biosensing and bioimaging, combining exceptional sensitivity with rapid response. In this study, a novel flexible plasmonic platform, composed of silver nanocolumns (Ag-NCOLs) embedded in polydimethylsiloxane (PDMS), was investigated using 4-aminothiophenol (4-ATP) for Raman and rhodamine-6G (R6G) for fluorescence studies
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Development of fluorescent probe for specific recognition of chiral alanine Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Zhuxiong Han, Shijun Chen, Yuwei Wu, Cailing Fan, Qiye Liu, Xianzhe Yu, Wei Shu, Weijie Chi, Qinxi Dong, Chaoyuan ZengAmino acids, the building blocks of life, exhibit significant chirality, whereas L-amino acids predominate in living organisms and play essential roles in protein synthesis and other biochemical processes. Although less abundant, D-amino acids play critical roles in forming bioactive compounds such as peptidoglycans in bacterial cell walls and find applications in the pharmaceutical industry and materials
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Synthesis and characterization of Au@Ag nanoparticles for multiwavelength SERS biosensing Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Gytaute Sirgedaite, Martynas Talaikis, Audrius Drabavicius, Gediminas Niaura, Lina MikoliunaiteGold-core silver-shell (Au@Ag) nanoparticles are promising substrates for surface-enhanced Raman spectroscopy (SERS) due to their tunable plasmonic properties and enhanced stability. In this study, we synthesized Au@Ag nanoparticles with varying core sizes (13 nm and 23 nm) and silver shell thicknesses, controlled via silver nitrate concentration during a seed-mediated growth process. The nanoparticles
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Investigation of the processing of calcined and vinegar-quenched ochre samples using 2T2D correlation Raman spectroscopy Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Bo Yang, Zhi-Meng Li, Guo-Xin Ji, Shuang Guo, Yeonju Park, Eungyeong Park, Shu-Min Wang, Huan Wang, Young Mee JungThe application of mineral medicine has a long history of thousands of years, and the processing of traditional Chinese medicine (TCM) is a unique pharmaceutical technology. However, the processing of most mineral medicines is still unclear and requires in-depth and systematic research. To achieve accurate identification of mineral medicines and elucidate their variation from a chemical perspective
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A dual emission ratiometric nanothermometer for evaluating cell temperature during energy metabolism Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Nana Yin, Xiaojuan Wang, Yang Shu, Jianhua WangATP synthesis and thermogenesis are two key outputs of intracellular oxidative phosphorylation (OXPHOS), and simultaneous monitoring of changes in ATP and temperature will facilitate understanding of the energy metabolism mechanisms. Herein, a ratiometric probe was developed to measure temperature variations during ATP synthesis/hydrolysis. Firstly, poly(methyl methacrylate) (PMMA) copolymers with
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A novel fluorescent sensor for imaging of viscosity and ClO− in plant cells and zebrafish Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Siyi Shen, Yuehua Yuan, Yuzhen Wang, Yongjun Zhu, Mengqing Du, Chaoyi Yue, Bing Pan, Shuai Ren, Feng Feng, Maozhong TianViscosity and hypochlorite (ClO−) are two crucial microenvironmental species that play significant roles in biological activities. Their abnormal levels are closely associated with numerous common diseases. Therefore, accurate and real-time detection of hypochlorite and viscosity related to inflammatory microenvironment conduces to elucidate the pathogenesis and further diagnose the disease. In this
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Ratiometric fluorescent probe for triphosgene detection and its application in electrospun fluorescent fibers Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-04-01
Mengyu Chen, Cuibing Bai, Wenhui Xue, Xin Wang, Shizhen Wang, Qixiang Song, Xinyu Wang, Chenxu Liu, Lin Zhang, Biao Wei, Hui Miao, Rui QiaoTriphosgene poses a potentially great threat to human health and safety. Therefore, it is of great significance to develop an effective method to realize the inexpensive, on-site, convenient, and rapid detection of triphosgene. Herein, based on the excited-state intramolecular proton transfer mechanism, a new fluorescent probe DPIM was designed and synthesized, which realized the rapid ratiometric
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A photostable luminescent iridium(III) complex probe for imaging endogenous mitochondrial sulfur dioxide in living cells Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Mengzhao Jia, Jia Wu, Xiaolei Wu, Daniel Shiu-Hin Chan, Bingjie Hu, Chun-Yuen Wong, Chung-Hang Leung, Kai Yang, Wanhe WangSulfur dioxide (SO2) is an important signaling gas molecule, but its aberration is highly associated with inflammatory diseases and cancers. Luminescence probes for SO2 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
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Photophysical behaviour and sub-cellular specificity of a pyrene-benzothazolium imaging dye: A study of regio-effect Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Kavinda M. Arachchige, Michael A. Vrionides, Kaveesha J. Wijesinghe, Tomoyasu Mani, Chathura S. AbeywickramaPyrene-based small-molecule fluorescent dyes have been widely used in biomedical imaging and sensing applications. Among them, pyrene-based π-acceptor (π-A) type probes are an important class of fluorescent dyes due to their ability to produce a large Stokes’ shift (Δλ >100 nm) by strong intramolecular charge transfer (ICT) process. In this work, a pyrene-benzothiazolium-based π-A probe (ETP-2) was
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Optical properties of novel synthesized ZrS2 quantum dots based on Escherichia coli bacteria Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Haniyeh Shafiei, Abdolraouf Samadi-Maybodi, Mojtaba MohseniThere are a few reports on the synthesis of Zirconium disulfide quantum dots (ZrS2 QDs) with complicated circumstances and no work has been reported about the biosynthesis of ZrS2 QDs. In this work, a novel method of ZrS2 QDs were successfully synthesized using Escherichia coli ( E. coli ) bacteria. The E. coli bacteria was used for the degradation of L-cysteine to the sulfur ion (S2−) to subsequent
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A novel fluorescence and colorimetric dual sensing system for rapid and sensitive detection of histidine based on TSPP-CA Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Dajie Zou, Chenyan Lu, Yanyan Jia, Huan Wang, Jiuli WangHistidine (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
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The enhanced excited-state intramolecular proton transfer energy barrier of flavonols induced by deprotonation Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Jian Luo, Zheng Li, Mengrong Hu, Yuhan Xia, Qin Yu, Siyu HouThe 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
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A smart photosensitive fluorescent probe for sensing Co2+ in extremely alkaline aqueous solution Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Yiming Zhang, Yujie Wang, Ruilin Shi, Bingxuan Huang, Shaoyin Wei, Yuji Wang, Nao XiaoA novel pH-, viscosity-, and photo-sensitive polymorphic fluorescence probe NHP for sensing Co2+ has been developed. The hydrazone-based NHP can be synthesized by only one step of reflux reaction and purified by washing with poor solvents. Three single crystals of NHP-1, NHP-2, and NHP-3 with different conformations were resolved. As a photo acid generator (PAG), the hydrogen atom on the imino group
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Examining the adsorption and sensing characteristics of cytosine (CTE) on Y9N9 (Y = Al, B, Ga) nanorings using solvent effects, DFT, AIM and SERS analyses Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Jamelah S. Al-Otaibi, Y. Sheena Mary, Unnati Jethawa, Brahmananda Chakraborty, Maria Cristina GamberiniNucleobases 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)-Y9N9 (Y = Al, B, Ga) nanoring interaction using density functional theory. It was evident that CTE
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Terahertz and Raman vibrational spectroscopy detection and structural analysis of acyclovir hydrate polymorphs Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Qiuhui Zhao, Jiale Zhang, Yaqi Jing, Jiadan Xue, Jianjun Liu, Jianyuan Qin, Zhi Hong, Yong DuDrug 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
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Confinement effect of zirconium metal–organic frameworks derived enhanced oxidase-like activity and stability of gold nanoclusters for biosensing Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-31
Pin Bai, Aifang Zhou, Mingyue Xie, Xintong Dong, Qianqian Zhu, Hong-Min Meng, Zhaohui LiGold 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
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Surface-enhanced Raman spectroscopic sensing of the herbicide alachlor using Au16 nanocluster Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-29
Mekha Susan Rajan, Renjith ThomasThis study explored the interaction between the herbicidal pollutant alachlor and the Au16 nanocluster employing density functional theory (DFT) described by the functional M062X and basis set SDD. The adsorption energy of alachlor on the Au16 cluster is negative, signifying a strong interaction between the herbicide and the Au cluster. The molecular structures, HOMO-LUMO energies, molecular electrostatic
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Carbazolylphenyl ethynyl anthracenes as TTA emitters with improved horizontal alignment for the applications in OLEDs and for optical detection of the nitroaromatic explosive compounds Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-29
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. GrazuleviciusSynthesis and properties of the carbazolylphenyl ethynyl anthracenes with tert-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 × 10−4 cm2 × V−1s−1
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Calibrating the prediction model of soluble solids content and firmness in kiwifruit across years based on NIR spectroscopy using model transfer and transfer learning Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-28
Jianing Luo, Jiabao Li, Qingji Tian, Youhua Bu, Jiaxin Wang, Qian Chi, Wenchuan GuoNear-infrared (NIR) spectroscopy has been widely used in nondestructive detection of fruit internal quality. However, the biological variability of fruit would change their texture, which may lead to the failure of fruit quality prediction models built based on spectroscopy. Therefore, ‘XuXiang’ kiwifruit samples were used to investigate the calibration performance of four model calibration algorithms
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Machine learning-combined hyperspectral imaging analysis for the non-destructive identification of wheat flours with varying gluten strengths Spectrochim. Acta. A Mol. Biomol. Spectrosc. (IF 4.3) Pub Date : 2025-03-28
Jeongin Hwang, Sungmin Jeong, Suyong LeeThis study aimed to non-destructively identify wheat flours with different gluten strengths through the application of machine learning-combined hyperspectral imaging analysis. The performance of this approach was compared to conventional instrumental methods, specifically Mixolab, Fourier Transform Infrared (FTIR) spectroscopy, Rapid Visco-analyzer (RVA). The Mixolab measurement demonstrated that