JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2025
·
IF 4.6
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.
研究领域:
植物学
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分子生物学
·
药用植物研究
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产品关联
DOI
高影响因子
JOURNAL OF RAMAN SPECTROSCOPY
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2023
·
IF 2.5
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.
研究领域:
生物化学
·
分析化学
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产品关联
DOI
高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
·
2021
·
IF 4.098
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
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光谱学
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纳米医学
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DOI
高影响因子
Nanomaterials
·
2018
·Vol. 9
·期 1
·17
·
IF 3.504
Haiyang Shi,Weigen Chen,Fu Wan,Lingling Du,Shuhua Zhang,Weiran Zhou,Jiayi Zhang,Yingzhou Huang,Chengzhi Zhu
Accurate detection of dissolved aging features in transformer oil is the key to judging the aging degree of oil-paper insulation. In this work, in order to realize in situ detection of furfural dissolved in transformer oil, silver nanoparticles were self-assembled on the surface of gold film with P-aminophenylthiophenol (PATP) as a coupling agent. Rhodamine-6G (R6G) was used as the probe molecule to test the enhancement effect. By optimizing the molecular concentration, molecular deposition time, and silver sol deposition time of PATP, the nanoparticles were made more uniform and compact, and an enhanced substrate with rich hot spots was obtained. The optimum substrate was developed, and surface-enhanced Raman spectroscopy (SERS) detection of trace furfural dissolved in transformer oil was realized. The results showed that the substrate prepared under the conditions of 0.1 mol/L PATP, 5 h deposition in PATP and 12 h immersion in silver sol, had the best reinforcement effect (that is, uniform and compact particle arrangement and no particle clusters). By use of this substrate, the minimum detectable concentration of furfural in transformer oil was about 1.06 mg/L, which provides a new method for fast and nondestructive detection of transformer aging diagnosis.Keywords:surface-enhanced Raman spectroscopy;transformer aging;concentration detection
研究领域:
材料科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHYSICAL CHEMISTRY A
·
2025
·
IF 2.8
Qing-Ying Yang,Qin Yang,Yi-Fan Song,An-Wen Liu,Jin Wang,Yan Tan,Yu R. Sun,Shui-Ming Hu
Cyclohexane (CAS: 110-82-7), a colorless organic solvent derived from petroleum, is a valuable reference standard for Raman shift calibration and serves as a model for six-membered ring structures in complex chemical and biological systems. In this study, we measured polarized Raman spectra of gaseous cyclohexane at room temperature using cavity-enhanced Raman spectroscopy (CERS) across the range of 200–3200 cm–1. The observed vibrational wavenumbers, intensities, and depolarization ratios were compared with calculated values, enabling the assignment of several dozen Raman-active bands, including many overtone and combination bands. This work demonstrates the capability of CERS for vibrational analysis of gas-phase polyatomic molecules.
研究领域:
光谱学
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物理化学
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分析化学
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分子物理
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有机化学
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产品关联
DOI
PubMed
高影响因子
TALANTA
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2013
·
IF 3.498
Xiaohong Jiang,Yongchao Lai,Wei Wang,Wei Jiang,Jinhua Zhan
Polybrominated diphenylethers (PBDEs), one of the most common brominated flame retardants , are toxic and persistent, generally detected by the chromatographic method. In this work, qualitative and quantitative detection of PBDEs were explored based on surface-enhanced Raman spectroscopy (SERS) technique using a portable Raman spectrometer. Alkanethiol modified silver nanoparticle aggregates were used as the substrate and PBDEs could be pre-concentrated close to the substrate surface through their hydrophobic interactions with alkanethiol. The effect of alkanethiols with different chain length on the SERS detection of PBDEs was evaluated. It was shown that 1-hexanethiol (HT) modified substrate has higher sensitivity, good stability and reusability. Qualitative and quantitative SERS detection of PBDEs in real sea water was accomplished, with the measured detection limits at 1.2×10 2 μg L −1 . These results illustrate SERS could be used as an effective method for the detection of PBDEs.
研究领域:
环境科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2024
·
IF 4
Luqi He,Peihuan He,Jiacong Li,Meng Xiong,Yeshun Zhang,Hui Yan
The residue of pesticide fenthion is a common issue in food safety, and how to conveniently detect it is a challenge in the food industry. Therefore, combined with a portable Raman spectrometer, a surface enhanced Raman spectroscopy (SERS) method based on a high-performance substrate Au@AgNPs had been designed for the rapid and sensitive detection of fenthion. Au@AgNPs can be induced to generate more hot spots to improve SERS signals because of their core-shell structure. The quantitative detection of fenthion was achieved under the optimal conditions: pH 7.0, 10 −3 M CaCl 2 , 70 % Au@AgNPs concentration, and 4 min of incubation time. The results showed that the method had a wider detection range of 0.1–100 mg/L, a low detection limit (LOD) of 0.036 mg/L, excellent anti-interference ability, and reproducibility. In addition, the method was successfully validated with the actual sample rice. Therefore, the method had the advantages of being fast, on-site, and easy to use, which is useful for promoting its application.
研究领域:
食品安全
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分析化学
·
纳米技术
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产品关联
DOI
高影响因子
Journal of Innovative Optical Health Sciences
·
2021
·
IF 1.77
Yumin Zhang,Li Lin,Jing He,Jian Ye
The limited penetration of photons in biological tissue restricts the deep-tissue detection and imaging application. The micro-scale spatially offset Raman spectroscopy (micro-SORS) with an optical fiber probe, colleting photons from deeper regions by offsetting the position of laser excitation from the collection optics in a range of hundreds of microns, shows great potential to be integrated with endoscopy for inside-body noninvasive detection by circumventing this restriction, particularly with the combination of surface-enhanced Raman spectroscopy (SERS). However, a detailed tissue penetration study of micro-SORS in combination with SERS is still lacking. Herein, we compared the signal decay of enhanced Raman nanotags through the tissue phantom of agarose gel and the biological tissue of porcine muscle in the near-infrared (NIR) region using a portable Raman spectrometer with a micro-SORS probe (2.1 mm in diameter) and a conventional hand-held probe (9.7 mm in diameter). Two kinds of Raman nanotags were prepared from gold nanorods decorated with the nonresonant (4-nitrobenzenethiol) or resonant Raman reporter molecules (IR-780 iodide). The SERS measurements show that the penetration depths of two Raman nanotags are both over 2 cm in agarose gel and 3 mm in porcine muscle. The depth could be improved to over 4 cm in agarose gel and 5 mm in porcine tissue when using the micro-SORS system. This demonstrates the superiority of optical-fiber micro-SORS system over the conventional Raman detection for the detection of nanotags in deeper layers in the turbid medium and biological tissue, offering the possibility of combining the micro-SORS technique with SERS for noninvasive in vivo endoscopy-integrated clinical application.
研究领域:
生物医学光学
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光谱学
·
医学检测
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产品关联
DOI
高影响因子
GEOFLUIDS
·
2020
·
IF 1.534
Xiaolin Wang,Ye Qiu,I-Ming Chou,Rongqing Zhang,Guanglai Li,Richen Zhong
In situ Raman spectra of aqueous K2WO4-HCl, K2WO4-HCl-NaCl, and K2WO4-CO2-NaCl solutions were collected at elevated temperature (, 100–400°C) and constant pressure () of 30 MPa. The stretching vibration band of the W=O bond () was analyzed to reveal the species of tungsten (W) responsible for the hydrothermal transport of W during mineralization. Results showed that monomeric tungstates with (W=O) bands at ~930 and 950 cm-1 are the dominant W species in weakly alkaline (room temperature, ) to near-neutral (room temperature, ) solutions under the investigated conditions. Overall, the stability of polymeric tungstate species with (W=O) bands at ~965–995 cm-1 decreases with rising temperature and was not detected at ≥300°C in moderately acidic solution (room temperature, ). However, increased fluid acidity and salinity obviously enlarged the temperature stability field of polymeric tungstate species. In highly acidic solution (room temperature, ), polymeric tungstates are the only stable W species even at 400°C. In the presence of 1.9 mol/kg NaCl, polymeric tungstate(s) can persist to at least 350°C in moderately acidic solution. Considering that 300–350°C is the major W-mineralizing range and W-mineralizing fluid is generally characterized by a moderately acidic nature, we propose that, in addition to monomeric tungstates, polymeric tungstates can also be important W species in some natural geological fluids that are responsible for the mineralization of W. Future studies of the W mineralization mechanism should take this issue into account.
研究领域:
地球化学
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矿物学
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产品关联
DOI
高影响因子
JOURNAL OF RAMAN SPECTROSCOPY
·
2022
·Vol. 54
·期 2
·191-200
·
IF 2.727
Yuhao Xie,Siwei Yang,Shenghua Zhou,Jiazhen Liu,Shuai Zhao,Shangzhong Jin,Qiang Chen,Pei Liang
Raman spectroscopy is widely used in the identification of substances. Raman spectra contain molecular information from various components and interference from noise and instruments. Therefore, using Raman spectroscopy to identify components is still challenging, especially for substances with high similarity. In this study, a class of highly similar products (methanol and ethanol) and a multicomponent mixture of propanol and water were tested using a portable Raman spectrometer. They are divided into 11 categories according to the volume fraction ratio. A total of 5,060 groups of Raman spectrum data were obtained, constituting the data set of this study. The deep neural network structure adopted in this study is based on ResNet architecture, on which the SE module in the attention mechanism is added, which increases the weight of some spectral features and achieves significant performance improvement. Finally, SE-ResNet achieves a recall of 0.95, a precision rate of 0.95, a Micro-F1 of 0.95, and an accuracy rate of 99.20%.
研究领域:
分析化学
·
人工智能
·
光谱学
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产品关联
DOI
高影响因子
MICROCHIMICA ACTA
·
2023
·Vol. 190
·期 7
·1-9
·
IF 5.7
Wang Wenxi,Ruan Shuyan,Su Zhixiong,Xu Peipei,Chen Yujia,Lin Zheng,Chen Jingbo,Lu Yudong
A novel S-CNF-based nanocomposite was created using sulfonated cellulose nanofiber (S-CNF) to enable the detection of NADH in serum by surface-enhanced Raman spectroscopy (SERS). The numerous hydroxyl and sulfonic acid groups on the S-CNF surface absorbed silver ions and converted them to silver seeds, which formed the load fulcrum. After adding a reducing agent, silver nanoparticles (Ag NPs) were firmly adhered to the S-CNF surface to form stable 1D “hot spots.” The S-CNF-Ag NP substrate demonstrated outstanding SERS performance, including good uniformity with an RSD of 6.88% and an enhancement factor (EF) of 1.23 × 10 7 . Owing to the anionic charge repulsion effect, the S-CNF-Ag NP substrate still maintains remarkable dispersion stability after 12 months of preservation. Finally, S-CNF-Ag NPs’ surface was modified with 4-mercaptophenol (4-MP), a special redox Raman signal molecule, to detect reduced nicotinamide adenine dinucleotide (NADH). The results showed that the detection limit (LOD) of NADH was 0.75 μM; a good linear relationship ( R 2 = 0.993) was established in the concentration range 10 −6 – 10 −2 M. The SERS nanoprobe enabled rapid detection of NADH in human serum without any complicated sample pretreatment and provides a new potential to detect biomarkers. Graphical
研究领域:
分析化学
·
纳米技术
·
生物医学工程
·
生物传感器
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DOI
高影响因子
ANALYTICAL CHEMISTRY
·
2018
·
IF 6.042
Songtao Xiang,Yi Xu,Xin Liao,Xiangquan Zheng,Li Chen,Shunbo Li
Phosphatidylcholine oxidation is closely related to many neurodegenerative diseases. In this paper, Raman spectroscopy was proposed to continuously monitor the oxidation of phosphatidylcholine and provide deep understanding of this biochemical process. To increase the detection sensitivity, surface-enhanced Raman spectroscopy (SERS) with a micro–nanosilver-complex substrate was prepared by electrodeposition. The prepared SERS substrate had an enhancement factor as high as 7.8 × 107, ensuring detection sensitivity in the phosphatidylcholine-oxidation process. It was illustrated that the oxidation of phosphatidylcholine in an ethanol–water solution under the experimental conditions could be monitored and well described by second-order kinetics by continuously measuring and analyzing the SERS spectra of phosphatidylcholine-oxidation intermediates in 20 days. Meanwhile, the oxidation products were confirmed by mass spectrometry, and the oxidation process was in good concordance with mass-spectrometry detection. The use of SERS in following a biochemical process has advantages, including simple instrumentation, a low cost, a short detection time, and no sample pretreatment. Therefore, as a kind of vibration spectrum, SERS is preferable to traditional detection approaches such as MS, HPLC, and MRI for the dynamic monitoring and analysis of complex biochemical processes.
研究领域:
分析化学
·
生物化学
·
光谱学
·
神经科学
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DOI
高影响因子
危险品化学品经营许可证（带存储）