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Nanomaterials · 2020 ·Vol. 10 ·期 12 ·2539 · IF 4.324

Role of 2‒13C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy

Meng-Lei Xu,Yu Gao,Jing Jin,Jin-Feng Xiong,Xiao Xia Han,Bing Zhao

Glyphosate is one of the most commonly used and non-selective herbicides in agriculture, which may directly pollute the environment and threaten human health. A simple and effective approach to its detection is thus quite necessary. Surface-enhanced Raman scattering (SERS) spectroscopy was shown to be a very effective method to approach the problem. However, sensitivity in SERS experiments is quite low, caused by different orientation/conformation of the adsorbed molecules on the metal surface, which limit its detection by using SERS. In this paper, 2‒13C‒glyphosate (hereafter: 13–GLP) was designed as a model molecule for theoretical and experimental studies of the molecule structure. Vibrational modes were assigned based on the modeling results obtained at the B3LYP/6-311++G** level by density functional theory (DFT) calculations, which were performed to predict the FT‒IR and Raman spectra. Band downshifts were caused by13C atom isotopic substitution with mass changed. Moreover, SERS spectra of 13–GLP by combining ninhydrin reaction on Ag NPs were obtained. Isotopic Raman shifts are helpful in identifying the components of each Raman band through vibrations across the molecular system. They are coupled by probe molecules and thus bind to the substrates, indirectly offering the opportunity to promote interactions with Ag NPs and reduce the complex equilibrium between different orientation/conformation of glyphosate molecules on the metal surface.Keywords:glyphosate;isotopic Raman shifts;SERS;ninhydrin reaction

研究领域: 环境科学 · 分析化学
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MOLECULES · 2020 ·Vol. 25 ·期 5 ·1199 · IF 3.267

Flexible and Reusable Ag Coated TiO2 Nanotube Arrays for Highly Sensitive SERS Detection of Formaldehyde

Tong Zhu,Hang Wang,Libin Zang,Sila Jin,Shuang Guo,Eungyeong Park,Zhu Mao,Young Mee Jung

Quantitative analysis of formaldehyde (HCHO, FA), especially at low levels, in various environmental media is of great importance for assessing related environmental and human health risks. A highly efficient and convenient FA detection method based on surface-enhanced Raman spectroscopy (SERS) technology has been developed. This SERS-based method employs a reusable and soft silver-coated TiO2nanotube array (TNA) material, such as an SERS substrate, which can be used as both a sensing platform and a degradation platform. The Ag-coated TNA exhibits superior detection sensitivity with high reproducibility and stability compared with other SERS substrates. The detection of FA is achieved using the well-known redox reaction of FA with 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole (AHMT) at room temperature. The limit of detection (LOD) for FA is 1.21 × 10−7M. In addition, the stable catalytic performance of the array allows the degradation and cleaning of the AHMT-FA products adsorbed on the array surface under ultraviolet irradiation, making this material recyclable. This SERS platform displays a real-time monitoring platform that combines the detection and degradation of FA.Keywords:formaldehyde;SERS;Raman;semiconductor;TiO2

研究领域: 环境科学 · 材料科学 · 分析化学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2025 · IF 4.6

An efficient strategy for early sex identification in Litsea cubeba based on portable Raman technology combined with machine learning algorithms

Chuyi Wang,Peipei Xu,Haonan Wang,Feili Luo,Qianmin Tu,Yulin Fang,Ruiyun You,Yan Yang,Yudong Lu

Early sex identification of the dioecious and medicinal spice plant, Litsea cubeba (Lour.) Pers (LC), is necessary for expanding the production and application of LC. We describe a Raman spectroscopy (RS) and surface-enhanced Raman spectroscopy (SERS) method combined with machine learning techniques. Based on the RS and SERS features, we combined principal component analysis and linear discriminant analysis (PCA-LDA) to dimension reduction for the data. And we combined seven machine learning algorithms, including logistic regression (LR), Naive Bayes (NB), decision tree (DT), random forest (RF), k-nearest neighbor (KNN), support vector machines (SVM), and extreme gradient boosting (XGBoost) algorithms to construct a gender prediction model for LC. The results demonstrated that the surface reinforcement treatment with drops of silver sol combined with LR, SVM, and XGBoost models achieved an accuracy of 84.62% in distinguishing male and female leaves. Furthermore, compared to the discrimination effect of scanning the leaf surface only, the gender recognition accuracy of the surface reinforcement treatment increased by 17.31%, 19.24% and 19.24%, respectively. Portable Raman spectroscopy combined with machine learning algorithms can be promoted for use as a tool for early sex identification in most plants, which can be applied to large-scale plant cultivation and breeding programmes.

CAS / MDL: 110-54-3 6132-04-3
研究领域: 植物学 · 分子生物学 · 药用植物研究
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MICROCHEMICAL JOURNAL · 2024 · IF 4.9

Purines recognition and quantitative analysis by surface-enhanced Raman spectroscopy

Xiao-Yang Shi,Yun-Chuan Li,Lei Yu,Bo-Huai Xiao,Gong-Ming Qian,Jing Guo

The common quantification methods of purines, including high-performance liquid chromatography, micellar electrokinetic chromatography, reverse phase ion pair chromatography, and capillary zone electrophoresis, have been used for the analysis of purines. These conventional techniques are limited by long operation times, large sample volumes, requirements for pretreatment and separation processes, or sophisticated, bulky and expensive equipment. Here, we have developed a simple method to prepare a probe for the quantitative analysis of purines using the surface-enhanced Raman scattering (SERS) method. The SERS probe is a rough Ag wire obtained with simple electrochemical treatment, which is optimized to reach the maximum SERS signal enhancement. The Raman enhancement factor (EF) of Ag wire after roughening can reach ∼10 6 . Under optimized conditions, the rough Ag wire is capable of recognizing four purine bases (namely, guanine, adenine, hypoxanthine, and xanthine) in the range of 10 −5 to 10 −1 mg/mL with a linear relationship between SERS intensity of signature peak and purine concentration. The recovery rate of each purine base is higher than 80% in the mixture of four purines. The overall method was successfully applied to the monitoring of the level of purines in marketplace beer beverages. The novel wire-based SERS sensor used with portable Raman spectroscopy is prospective in diet safety and personalized point-of-care medical detection.

研究领域: 分析化学 · 生物医学工程 · 食品科学
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Journal of Physical Chemistry C · 2018 · IF 4.484

Achieving High-Performance Surface-Enhanced Raman Scattering through One-Step Thermal Treatment of Bulk MoS2

Dandan Yan,Wu Qiu,Xuejiao Chen,Lei Liu,Yongjue Lai,Zhaohui Meng,Jiepeng Song,Yufei Liu,Xiang-Yang Liu,Da Zhan

We present a strong Raman enhancement substrate through one-step thermal treatment of bulk MoS2. The substrate provides very efficient hot spots by using the rhodamine 6G (R6G) molecule as a probe. Raman and photoluminescence spectra of modified MoS2 reveal the detailed mechanism for enhancing Raman signal of R6G. It is found that both the substrate roughness and the slight chemical bond broken on the surface are the main driven forces to induce the surface enhanced Raman scattering (SERS) effects. The minimum detectable concentration of R6G on the most optimized thermally treated MoS2 can be as low as 10–8 M. This synthetic approach is facile, sensitive, and reliable, which shows great potential to be an excellent SERS substrate for biological and chemical detection.

CAS / MDL: 989-38-8
研究领域: 材料科学 · 分析化学
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Photonics · 2022 ·Vol. 9 ·期 6 ·429 · IF 2.536

Raman-Guided Bronchoscopy: Feasibility and Detection Depth Studies Using Ex Vivo Lung Tissues and SERS Nanoparticle Tags

Zongyu Wu,Ziwen Wang,Haoqiang Xie,Yiming Wang,Haoqi He,Shuming Nie,Jian Ye,Li Lin

Image-guided and robotic bronchoscopy is currently under intense research and development for a broad range of clinical applications, especially for minimally invasive biopsy and surgery of peripheral pulmonary nodules or lesions that are frequently discovered by CT or MRI scans. Optical imaging and spectroscopic modalities at the near-infrared (NIR) window hold great promise for bronchoscopic navigation and guidance because of their high detection sensitivity and molecular/cellular specificity. However, light scattering and background interference are two major factors limiting the depth of tissue penetration of photons, and diseased lesions such as small tumors buried under the tissue surface often cannot be detected. Here we report the use of a miniaturized Raman device that is inserted into one of the bronchoscope channels for sensitive detection of “phantom” tumors using fresh pig lung tissues and surface-enhanced Raman scattering (SERS) nanoparticle tags. The ex vivo results demonstrate not only the feasibility of using Raman spectroscopy for endoscopic guidance, but also show that ultrabright SERS nanoparticles allow detection through a bronchial wall of 0.85 mm in thickness and a 5 mm-thick layer of lung tissue (approaching the fourth-generation airway). This work highlights the prospects and potential of Raman-guided bronchoscopy for minimally invasive imaging and detection of lung lesions.Keywords:bronchoscopy;Raman spectroscopy;endoscopic Raman probe;fluorescence;detection depth

CAS / MDL: 50-81-7 7761-88-8
研究领域: 医学影像 · 生物光学
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Advanced Optical Materials · 2021 ·Vol. 9 ·期 6 ·2002038 · IF 9.926

Raman Ink for Steganography

Yuqing Gu,Chang He,Fugang Liu,Jian Ye

Steganography, also known as “invisible” communication, refers to the technique of hiding information into another medium such as video, audio, image, and text. Surface-enhanced Raman scattering (SERS) nanotags are well suited to information encoding owing to their nanoscale dimensions, fingerprint optical spectral features, and remarkable multiplexing capability. Herein, Raman ink, fabricated by doping a new type of SERS nanotags (gap-enhanced Raman tags, GERTs) into commercial ink, is demonstrated as security ink for multiplexing steganography. A stego-text is written using two types of Raman ink containing different GERTs with diverse Raman signals, imaged via a confocal Raman system, and processed by the classical least squares method to extract the hidden message. The Raman ink generates distinct spectral profiles with low background from pure ink upon near-infrared laser irradiation. A multiplexing combination of seven kinds of messages extracted from the written stego-text is demonstrated, which adds enhanced safety and flexibility to information encoding. In addition, Raman ink exhibits good photostability and long-term stability. Therefore, GERTs-based Raman ink is promising for steganographic use in information security.

研究领域: 材料科学 · 光学 · 信息安全
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Analytical Methods · 2010 ·Vol. 3 ·期 2 ·274-279 · IF 0

Raman spectroscopy for hydrogen peroxide scavenging activity assay using gold nanoshell precursor nanocomposites as SERS probes

Qingfeng Chen,Yanying Rao,Xiaoyuan Ma,Jian Dong,Weiping Qian

In this work, we have developed a novel SERS-based approach to detect hydrogen peroxide (H2O2) scavenging activity by using gold nanoshell precursor nanocomposites (SiO2/GNPs) as nanoprobes. H2O2 can reduce AuCl4− to Au0 and enlarge the gold nanoparticles (GNPs) that attached on the surface of SiO2. As the concentration of H2O2 increases, the surface coverage of resultant gold on silica cores increases accordingly until continuous gold nanoshells (GNSs) are formed. During the growth process, there is a strong correlation between the SERS-activity of the GNSs and the amount of H2O2 that is used as reductant. When H2O2 reaches 250 μM, the resultant GNSs show the highest SERS-activity. H2O2 can be scavenged by antioxidants such as tannic acid and L-apple acid. Their H2O2 scavenging activities were determined by restraining the H2O2-mediated (250 μM) growth of SiO2/GNPs. The decrease of the SERS-activity was proportional to the H2O2 scavenging activity of the antioxidant. The results showed that tannic acid had a much higher H2O2 scavenging activity than that of L-apple acid.

研究领域: 分析化学 · 生物化学 · 纳米技术
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ACS Central Science · 2021 · IF 14.553

Azo-Enhanced Raman Scattering for Enhancing the Sensitivity and Tuning the Frequency of Molecular Vibrations

Yuchen Tang,Yongpeng Zhuang,Shaohua Zhang,Zachary J. Smith,Yuee Li,Xijiao Mu,Mengna Li,Caili He,Xingxing Zheng,Fangfang Pan,Tingjuan Gao,Lizhi Zhang

Raman scattering provides stable narrow-banded signals that potentially allow for multicolor microscopic imaging. The major obstacle for the applications of Raman spectroscopy and microscopy is the small cross section of Raman scattering that results in low sensitivity. Here, we report a new concept of azo-enhanced Raman scattering (AERS) by designing the intrinsic molecular structures using resonance Raman and concomitant fluorescence quenching strategies. Based on the selection of vibrational modes and the enhancing unit of azobenzenes, we obtained a library of AERS molecules with specific Raman signals in the fingerprint and silent frequency regions. The spectral characterization and molecular simulation revealed that the azobenzene unit conjugated to the vibrational modes significantly enhanced Raman signals due to the mechanism of extending the conjugation system, coupling the electronic–vibrational transitions, and improving the symmetry of vibrational modes. The nonradiative decay of azobenzene from the excited state quenched the commitment fluorescence, thus providing a clean background for identifying Raman scattering. The most sensitive AERS molecules produced Raman signals of more than 4 orders of magnitude compared to 5-ethynyl-2′-deoxyuridine (EdU). In addition, a frequency tunability of 10 distinct Raman bands was achieved by selecting different types of vibrational modes. This methodology of AERS allows for designing small-molecule Raman probes to visualize various entities in complex systems by multicolor spontaneous Raman imaging. It will open new prospects to explore innovative applications of AERS in interdisciplinary research fields.

研究领域: 生物物理学 · 分析化学 · 分子生物学
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JOURNAL OF RAMAN SPECTROSCOPY · 2023 · IF 2.5

Plastic spectral interference in the biological characterization by Raman or SERS spectroscopy

Ping-Shi Wang,Hao Ma,Xiao-Han Xi,Xiaxia Yue,Si-Qi Pan,Maofeng Cao,Guo-Kun Liu,Xiang Wang,Bin Ren

Raman spectroscopy and surface-enhanced Raman spectroscopy (SERS) have been widely applied for characterizing biological samples. Nowadays, it is routine to use plastic products for biological sample preparation and analysis during spectral acquisition. However, plastic containers produce undesirable signals severely interfering with the spectra of biological samples, which is neglectable and misleading. Herein, we unveiled the physical and chemical interference of plastic products in the process of Raman spectroscopy characterization. Firstly, we revisited a representative case of interference from polystyrene plastics on normal Raman and SERS spectra of cysteine and demonstrated its physical interference due to misfocusing. Furthermore, we testified SERS spectra of aqueous solution stored in several plastic materials commonly used in biological experiments. The spectra indicate strong spectral interference from the leaching chemicals. To address these problems, we proposed a series of strategies to avoid interference from plastic products in the Raman and SERS characterization of biological samples.

CAS / MDL: 64-17-5 67-68-5
研究领域: 生物化学 · 分析化学
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OPTICS EXPRESS · 2019 ·Vol. 27 ·期 3 ·3000-3013 · IF 3.561

Graphene-Ag nanoparticles-cicada wings hybrid system for obvious SERS performance and DNA molecular detection

Wen Yang,Zhen Li,Zhengyi Lu,Jing Yu,Yanyan Huo,Baoyuan Man,Jie Pan,Haipeng Si,Shouzhen Jiang,Chao Zhang

In recent years, biomaterials have increasingly attracted attention on surface-enhanced Raman spectroscopy (SERS) due to their well Raman performance while metal particles are combined with biological substrates. Therefore, we propose an environmentally friendly substrate based on silver-plated cicada wings with seamless graphene layer (Gr-AgNPs-C.w.), which can be prepared with a simple and inexpensive method. Compared with AgNPs-C.w., Gr-AgNPs-C.w. hybrids show better SERS performance with high sensitivity, good uniformity and good stability with R6G detection. The minimum detected concentration can reach 10−15 M, and the value of R2 can reach 0.996, respectively. Theoretical simulation demonstrates the situation of electromagnetic field through COMSOL software. In addition, due to the affinity of graphene for biomolecules, we can successfully detect the DNA biomolecules through a simple process. Therefore, this cheap and efficient natural SERS substrate has great potential for a considerable number of biochemical SERS applications and can broaden the way in which multiple SERS platforms derived from other natural materials are prepared.

研究领域: 材料科学 · 分析化学 · 生物传感器 · 纳米技术
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SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY · 2021 · IF 4.098

The characteristics of Raman spectroscopy of fenbendazole-gold nanoparticles based on the chemical adsorption effect

Shuai Lian,Xun Gao,Chao Song,Hui Li,Jingquan Lin

Fenbendazole, a benzimidazole derivative with anti-tubulin polymerization properties, has been widely used in the treatment of parasitic infections. Because of its anticancer activity similar to that of many anticancer drugs, low cost and few side effects, fenbendazole has attracted wide research attention. The chemical adsorption of fenbendazole and gold nanoparticles are studied by the UV–Vis spectrophotometry, density functional method, Raman spectroscopy and surface-enhanced Raman spectroscopy. By comparing and analyzing the theoretical and experimental Raman spectra, this paper explains the reasons for the difference between the theoretical and experimental Raman spectra. Meanwhile, it is also found that the frequencies at 851 cm −1 , 1222 cm −1 , 1425 cm −1 and 1566 cm −1 are greatly enhanced. It is found that imidazole is adsorbed vertically to the surface of the substrate. It is concluded that Fenbendazole is vertically adsorbed on the surface of AuNPs through imidazole.

研究领域: 药理学 · 光谱学 · 纳米医学
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