最新刊期
卷 44 ， 期 10 ， 2025
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摘要：Near infrared spectroscopy（NIRS），as an important modern analytical technique，has undergone systematic development over the past three decades in China，evolving from preliminary exploration to structured research，and from technology importation to independent innovation. Significant and representative achievements have been made during this process. NIRS has demonstrated strategic value in enhancing industrial production efficiency，ensuring product quality，and promoting the intelligent transformation of manufacturing processes. This review provides a comprehensive overview of the major progress made in China over the past thirty years in fundamental research，instrument development，chemometric method innovation，and application expansion of NIRS. It also offers an in-depth analysis of the current state of development，identifies key research directions and technical priorities for the future，and outlines prospective development trends. Looking ahead，efforts should be made to increase investment in research and development，strengthen interdisciplinary collaboration and high-level talent cultivation，promote integration across academia，industry，and research institutions，and continuously expand the breadth and depth of NIRS applications. These actions will support the high-quality development of NIRS and contribute more significantly to China’s economic and social progress.关键词：near infrared spectroscopy;chemometrics;machine learning;deep learning;data fusion533|690|0更新时间：2025-11-05 -
摘要：Significant advances have been made for near infrared（NIR） spectroscopy in techniques and applications over the past decades. Chemometrics provided a solid theoretical foundation and key technical support for these advances. In this review，the progress of chemometrics for enhancing NIR spectral analysis，such as modeling methods and signal processing，was summarized，as well as the applications of NIR spectroscopy in studying the structure，properties and function of water. The unique advantages of NIR spectroscopy in studying water and aqueous solutions were highlighted. Water can be taken as an NIR spectral probe for investigating molecular interactions and structural changes in chemical and biological systems. These advances provided new technical support for an efficient analysis and precise detection of water-containing systems. The integration of chemometrics and NIR spectroscopy has made a great promotion for NIR spectral analysis toward a higher efficiency and precision，and the application fields have also been expanded.关键词：near infrared spectroscopy;chemometrics;modeling;signal processing;water spectral probe395|166|0更新时间：2025-11-05 -
摘要：Near infrared spectroscopy analytical technology，as an important intelligent sensing method in molecular spectroscopy technology，combined with chemometrics methods，has been widely applied in various fields such as agriculture，petrochemicals，tobacco，pharmaceuticals，food，and feed. This article provides an overview of the application of near infrared spectroscopy analytical technology in petrochemical industry in China over the past three decades，covering crude oil rapid assay，naphtha hydrocarbon composition analysis，gasoline octane number on-line detection，diesel cetane number prediction，heavy oil property analysis，polyolefin product quality control，and the deep integration of near infrared spectroscopy analytical technology with advanced process control（APC） and real-time optimization（RTO） systems in multiple petrochemical units，which has been promoted with the advancement of smart factory construction in recent years. Additionally，application and development trends of near infrared spectroscopy analytical technology in petrochemical industry in future are also proposed.关键词：near infrared spectroscopy analytical technology;chemometrics;smart factory;petrochemical industry384|250|0更新时间：2025-11-05 -
摘要：Quality control methods and quality standards systems play a central role in ensuring the quality and safety of traditional Chinese medicine（TCM） materials and TCM preparations. The current quality standards system，primarily based on liquid chromatography and other analytical techniques，has revealed several limitations in its application，such as the complexity of sample pretreatment and the lengthy analysis time. In recent years，rapid detection technologies have made significant progress and gradually met the demands of TCM quality testing. However，rapid detection technologies still face challenges including narrow detection ranges，simple target analytes，and a lack of high-throughput equipment. These issues urgently need to be addressed. Consequently，rapid and high-throughput regulatory screening are becoming increasingly important for the quality control of TCM materials and TCM preparations. This article examines the quality control of TCM materials and preparations from multiple perspectives，including species identification，quality evaluation，and safety assessment，and summarizes relevant application cases. The article also offers suggestions for future development directions，aiming to provide a reference for in-depth research and the commercial application of rapid regulatory screening in the TCM field.关键词：TCM materials;TCM preparations;regulatory screening;quality control and evaluation;quality standards375|417|0更新时间：2025-11-05 -
摘要：Soil organic carbon（SOC） is a core parameter of the carbon cycling in terrestrial ecosystems and also an important issue in global climate change. To meet the needs of informatization development，numbers of studies on SOC spectral analysis by visible and near infrared spectroscopy have been carried out domestically and internationally. The application conditions have been met，but there is still a lack of practical applications. To accelerate the practical application of SOC spectral analysis in various scenarios，this paper reviewed the development of SOC analysis by visible and near infrared spectroscopy in the past 25 years，elaborated on the principles of spectral analysis，and identified that both data collection and analysis in spectral analysis affected its quality. It summarized the common key technological challenges in scenario-based applications of SOC spectral analysis，revealing three urgent issues：calibration transfer of homologous samples across sampling time，the impact of spectrometer performance on SOC spectral analysis quality，and spectral analysis of fresh samples. The paper proposed two currently advantageous application scenarios：soil profile monitoring and wetland carbon sink monitoring. It further pointed that future efforts should focus on specific scenarios，conduct systematic research，and establish corresponding big data and standardized norms. This review will provide a valuable reference for the comprehensive application of SOC by visible and near infrared spectroscopy.关键词：soil organic carbon;visible and near infrared spectroscopy;spectral analysis;moisture;calibration transfer227|99|0更新时间：2025-11-05 -
摘要：The objective was to establish a rapid quantitative analysis model for multi-component ingredients in the alcohol precipitation supernatant of Jitong Ning Tablets（JTNT） using near-infrared spectroscopy（NIRS） combined with partial least squares（PLS） method. Ninety-eight batches of JTNT tablet alcohol precipitation supernatant were analyzed for puerarin，paeoniflorin，and glycyrrhizic acid content using ultra-high performance liquid chromatography，soluble solid content using drying method，and total sugar content using colorimetric method. Then，a multivariate calibration model was established between NIRS and quantitative reference values of each indicators using PLS method. The quantitative prediction models were evaluated by prediction determination coefficient（ -
摘要：To trace the origin of Astragalus，a CTGAN+1D-CNN+encoder-decoder（CCEN） network model was proposed. First，conditional generative adversarial networks（CTGAN） enhance Astragalus near-infrared spectral data to address limited data. Then，integrating an encoder-decoder structure into a 1D-CNN enables the network to capture both global and local relationships among features simultaneously. Experimental results demonstrate that after CTGAN and Savitzky-Golay enhancement，the accuracy rates of partial least squares discriminant analysis（PLS-DA），random forest（RF），K-nearest neighbors（KNN），and 1D-CNN improved to 0.973 3，0.953 3，0.960 0，and 0.973 3，respectively. The incorporation of the encoder-decoder architecture further elevated the 1D-CNN accuracy to 0.977 8. Ultimately，the CCEN model achieved accuracy，recall，and F1 scores of 0.986 7，0.987 2，and 0.986 8，respectively，on the Astragalus dataset，outperforming all comparison models. The results demonstrate that the CCEN model is suitable for one-dimensional signal data with complex structures and limited samples，such as near-infrared spectra，providing a novel approach for identifying the origin of Astragalus.关键词：Astragalus;near-infrared spectra;CTGAN;neural network;encoder-decoder235|19|0更新时间：2025-11-05 -
摘要：This study aims to improve the quantitative analysis accuracy of nicotine content in tobacco leaves using near-infrared（NIR） spectroscopy by proposing a deep learning model integrating the Kepler optimization algorithm（KOA），convolutional neural network（CNN），gated recurrent unit（GRU），and multi-head self-attention mechanism（MultiAttention）. First，the NIR spectra of 1 790 tobacco leaf samples were preprocessed using the Savitzky-Golay first derivative method. The CNN was employed to extract multi-scale spectral features，the GRU was used to capture the sequential dependencies between wavelength points，and the MultiAttention mechanism was introduced to dynamically weight features. Additionally，the KOA algorithm was applied to optimize the model's hyperparameters （learning rate，number of convolutional kernels，and hidden layer nodes）. By adjusting the orbital period factor（TC），initial gravitational strength（M₀），and decay coefficient（λ），the model addressed the issues of traditional models being prone to local optima and slow convergence. Experimental results showed that when TC=1，M₀=0.05，and λ=8，the model achieved a goodness-of-fit（R²） of 0.980，root mean square error（RMSE） of 0.069，and mean absolute error（MAE） of 0.049 for nicotine content prediction，significantly outperforming comparative models such as partial least squares（PLS） and convolutional neural network regression（CNNR）. The study demonstrates that this model，through an integrated framework of feature extraction-sequential modeling-global optimization，effectively enhances the robustness and generalization ability of NIR spectral quantitative analysis，providing a new method for rapid and accurate detection of chemical components in tobacco leaves.关键词：near-infrared spectroscopy;nicotine quantitative analysis;Kepler optimization algorithm;multi-head self-attention mechanism;deep learning358|130|0更新时间：2025-11-05 -
摘要：Germination rate is an important indicator for evaluating soybean seed vigor，which will directly affect the soybean harvest. In order to realize the rapid detection of soybean seed germination rate，a total of 350 soybean seed samples from 16 different species were collected. Among them，14 varieties were obtained with 8 samples of different activity gradients by artificial aging，and the remaining 2 varieties were samples of natural aging. The germination rate data of each sample were acquired by a germination test subsequent to the collection of spectral data. Anomalous samples were removed by using a combination of partial least squares regression（PLSR） and Monte Carlo cross-validation（MCCV），the Savitzky-Golay combined with the standard normal variate（SG+SNV） method was chosen to preprocess the spectral data，then uninformative variable elimination（UVE） was used for the selection of the characteristic wavelengths. In this study，the sparse Gaussian process regression（SGPR） method was extended to the application scenario of small samples，application scenarios of high-dimensional sample data，as well as the effects of different kernel functions on the performance of the model. In order to verify the superiority of the SGPR model，three types of control models，Gaussian process regression（GPR），support vector regression（SVR），and PLSR，were simultaneously established. The experimental results showed that the optimization SGPR-Matern32 model exhibits better prediction performance in the training set（R²=0.973 7，RMSE=0.045 4），validation set（R²=0.949 8，RMSE=0.065 0），and test set（R²=0.963 6，RMSE=0.069 4），and the modeling efficiency is significantly improved compared with the regular GPR model. This study confirms that the near-infrared spectroscopy technique combined with the SGPR-Matern32 modeling method can significantly improve the detection efficiency and accuracy of soybean seed germination rate，and provides a reliable technical means to realize the nondestructive detection of soybean seed vigor.关键词：soybean seed;near-infrared spectroscopy;sparse Gaussian process regression;germination rate291|93|0更新时间：2025-11-05 -
摘要：In order to develop a fast，non-destructive，and highly accurate method for detecting the protein content in wheat seeds，this study employs near infrared spectroscopy（NIRS） technology combined with machine learning methods using stacked models to analyze the near infrared spectroscopy data of 248 wheat seeds. This paper compares two spectral band grouping methods：sliding window grouping（SWG） and stratified sampling grouping（LSG）. In the basic model，partial least squares（PLS） showed the lowest root mean square error of prediction（RMSEP） and the highest coefficient of determination（R²），with values of 0.212 0 and 0.989 9，respectively. After implementing the stacked model，the performance of different algorithms significantly improved. The combination of LSG and linear regression reduced the RMSEP to 0.199 0 and increased the R² to 0.991 1，making it the optimal model of this study. This indicates that the stacked model machine learning algorithm integrated with LSG provides a more accurate method for predicting the protein content in wheat seeds.关键词：near infrared spectroscopy（NIRS）;wheat seeds;protein content;stacked model;machine learning272|90|0更新时间：2025-11-05 -
摘要：Traditional methods are ineffective in feature extraction from wheat near infrared spectra due to small sample sizes and limited spectral information，while convolutional neural networks （CNN） often suffer from inefficiency，over-parameterization，and overfitting. To address these issues，this study proposes a symmetric convolutional network with multi-feature fusion （SCN-MF） for accurate and efficient wheat protein content prediction. First，a symmetric CNN is designed with a channel structure that increases and then decreases. This structure ensures prediction accuracy while reducing computational complexity. Second，a multi-feature fusion module is introduced. It employs a cross-attention mechanism to integrate original spectra with derivative spectra. This enhances key feature representation and improves prediction accuracy. Experimental results show that SCN-MF achieves a R² of 0.946 1，a RPD of 4.305 7，and a RMSE of 0.404 3 on the testing set. Compared with the baseline CNN model，it significantly enhances prediction accuracy and computational efficiency. Additionally，SCN-MF outperforms five other methods on both training and testing sets，demonstrating superior stability and prediction ability. This study is suitable for NIR spectral modeling in small-sample and small-model scenarios. It provides new technical support for intelligent wheat protein content detection.关键词：wheat protein content;near infrared spectroscopy;multi-feature fusion;convolutional neural networks242|77|0更新时间：2025-11-05 -
摘要：High-performance near-infrared spectrometer has a very high demand for wavelength accuracy，generally less than 0.2 nm，and requires high-precision motor and control system to realize. The use of DC motor drive grating rotation，control system is complex，high cost，with the development of stepper motor technology，the use of simple structure，low cost and high-precision stepper motor drive grating rotation has become possible. In this study，based on the S450 near-infrared spectrometer produced by Shanghai Lengguang Technology Co.，Ltd.，the two-phase stepping motor with double gear structure is replaced by a five-phase stepping motor to directly drive the grating，and the linear fitting method is applied to deduct a certain number of subdivision steps of the motor to eliminate the wavelength shift generated during the reverse back scanning. The results show that the grating is directly driven by a five-phase stepping motor，which can be utilized for forward and reverse scanning to improve the efficiency and at the same time meet the wavelength accuracy requirements of high-performance near-infrared spectrometer，which is less than 0.05 nm at the CH one-fold absorption peak of about 1 730 nm，and compared with the plus-gear-driven structure，there is no wear and tear of gears，and the service life is prolonged. This study not only can significantly improve the performance of domestic NIR instruments，but also provides an important reference for the application of five-phase stepping motors in analytical test instruments.关键词：near-infrared spectrometer;five-phase stepper motor;grating drive;wavelength accuracy304|70|0更新时间：2025-11-05 -
摘要：To improve the accuracy of nicotine content detection in tobacco leaves using a handheld near infrared spectrometer，an optimized quantitative detection method was proposed in this study. Firstly，spectral data from tobacco leaves was collected using the handheld near infrared spectrometer，followed by first derivative preprocessing. Then，nonlinear wavelength coefficients were extracted using the maximum information exploration method with non-parametric tests，and linear wavelength determination coefficients were obtained through linear regression. By combining correlation coefficient boundary decision threshold，wavelengths were grouped into linear and nonlinear bands using the multilayer perceptron algorithm，and predictive models were established for each band separately. Finally，the prediction results of each band were combined with different weight coefficients and compared with traditional full-spectrum partial least squares modeling. These results showed that the model based on combined bands achieved an increase of 6.57% in the correlation coefficient，a reduction of 26.05% in the mean absolute error，and a reduction of 28.11% in the mean relative error. This method significantly enhances model prediction accuracy，meeting the practical needs for rapid，accurate，and non-destructive detection of nicotine content in tobacco leaves using a handheld near infrared spectrometer.关键词：handheld near infrared spectrometer;nicotine content;non-parametric tests;linear regression;multilayer perception259|74|0更新时间：2025-11-05
Special Column on the 30-Year Development of Near-Infrared Spectroscopy in China
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摘要：Blue emitting fluorescent carbon dots（NL-NCDs） with quantum yield of 33.43% were synthesized by one step hydrothermal method with citric acid as carbon source using nitrogen doping technology. Based on the“turn-off-on”mechanism，the NL-NCDs-Mg2+ fluorescence enhanced sensor was constructed for the sensitive detection of tetracycline hydrochloride. The linear range was 0.1-20 µmol/L，and the detection limit was as low as 21.3 nmol/L. Based on the internal filter effect and the static quenching coordination mechanism，a“turn off”type fluorescence probe（NL-NCDs） was constructed to effectively identify luteolin. The linear range was 0.1-30 µmol/L，and the detection limit was 29.1 nmol/L. The contents of tetracycline hydrochloride and luteolin in actual samples were determined successfully by the recovery method，with the recoveries of 95.4%-104% and 96.2%-105%，respectively. NL-NCDs has demonstrated excellent optical properties，showing potential applications in the detection of tetracycline hydrochloride and luteolin in biosensing，disease diagnosis and food monitoring.关键词：carbon dots;hydrothermal method;tetracycline hydrochloride;luteolin;internal filter effect;static quenching470|78|0更新时间：2025-11-05 -
摘要：In this study，an analytical method for the simultaneous determination of 94 pesticides and 18 polycyclic aromatic hydrocarbons（PAHs） in roasted coffee was developed using a modified QuEChERS method combined with gas chromatography-tandem mass spectrometry（GC-MS/MS）. The type and volume of extraction solvent，and the type and amount of filler used for sample extraction and purification were compared. The optimal experimental conditions finally selected were 10 mL of hydration volume，10 mL of acetonitrile-acetone（1∶1，volume ratio） as extraction solvent and 300 mg of primary secondary amine （PSA），300 mg of octadecylsilane（C18），and 900 mg of magnesium sulfate anhydrous（MgSO4） as purification packing material. Under the optimal experimental conditions，all compounds showed good linearity with correlation coefficients（r2） greater than 0.99. The limits of detection（LODs） and the limits of quantification（LOQs） of 94 pesticides were 0.1-3.0 μg/kg and 0.2-10.0 μg/kg，respectively，and those of 18 PAHs were 0.3-3.0 μg/kg and 1.0-10.0 μg/kg，respectively. The mean recoveries of 94 pesticides and 18 PAHs at 1-，2-，and 10-fold of LOQ spiking levels were 75.4%-117% and 74.9%-115%，respectively，with relative standard deviations（RSDs，n=6） not more than 14%. The method was successfully applied to 30 batches of commercially available roasted coffee samples. A total of 3 pesticides and 8 PAHs were detected，namely dichlobenil（0.4-0.6 µg/kg），heptachlor（0.6-1.2 µg/kg），hexachlorobenzene（0.5-1.5 µg/kg） and acenaphthene（5.4-12.4 µg/kg），anthracene（4.9-12.0 µg/kg），chrysene（1.2-2.1 µg/kg），fluoranthene（6.8-17.1 µg/kg），fluorene（16.7-35.9 µg/kg），naphthalene（19.1-40.9 µg/kg），phenanthrene（31.5-43.7 µg/kg），pyrene （4.6-14.7 µg/kg）. The results indicate that further research is necessary to monitor pesticides and PAHs in roasted coffee. The method is characterized by simple，rapid，and sensitive pre-treatment operation，which is suitable for the simultaneous detection of pesticides and PAHs in roasted coffee and can provide important technical and data support for the monitoring and quality safety of pesticide residues and PAHs in roasted coffee.关键词：roasted coffee;pesticides;polycyclic aromatic hydrocarbons;QuEChERS;GC-MS/MS413|74|0更新时间：2025-11-05 -
摘要：An analytical method based on gas chromatography-triple quadrupole mass spectrometry（GC-MS/MS） was established for simultaneous determination of 64 extractable substances of concern（including 26 alkanes，19 plasticizers，18 polycyclic aromatic hydrocarbons and azobenzene） in medicinal rubber stoppers.The medicinal rubber stoppers were extracted with ethyl acetate for 40 minutes at water bath ultrasonic extraction，then separated on TG-17Sil MS（30 m×0.25 mm×0.25 μm） column using electron impact ionization（EI） source and detected by dynamic selected reaction monitoring （dSRM） mode. Quantification was performed using internal standard method. The results showed that under the optimal conditions，the 64 extractable substances of concern had good linear relationship（r2>0.99） in their respective concentration ranges，the limits of detection（LODs） ranged from 0.005-0.10 mg/kg and the limits of quantification（LOQs） ranged from 0.01-0.50 mg/kg. The average spiked recoveries were 86.8%-114%，with relative standard deviations（RSDs） of 0.40%-7.7% at different spiked levels. The established method was used to detect 20 batches of medicinal rubber stopper samples，and target compound residues were detected in 5 batches of samples. This method is simple，fast，sensitive，and high throughput，and can be used for the rapid detection of 64 extractable substances of concern in medicinal rubber stoppers.关键词：GC-MS/MS;medicinal rubber stopper;extractable substances of concern;high throughput465|48|0更新时间：2025-11-05 -
摘要：The chemical components of fruiting body from different varieties of Lentinula edodes are directly associated to their sensory quality，nutritional efficacy and even processing performance. In the present work，an untargeted metabolomics method was developed to analyze the nonvolatility compounds of different varieties of Lentinula edodes（9608，Qihe No.9，Yusen No.3）. The raw data of Lentinula edodes samples were collected by ultrahigh performance liquid chromatography-high resolution mass spectrometry（UHPLC-HRMS） under data-dependent acquisition mode. The acquired UHPLC-HRMS data files were directly imported into a recently proposed chemometric automatic data analysis software AntDAS-DDA to accomplish the metabolomics analysis. The software integrates UHPLC-HRMS data reading and resolution，as well as compound identification，multi-group sample batch processing，and chemometric modeling into one platform. After the comprehensive analysis of results under positive and negative ion modes，66 differential metabolites were identified and 14 compounds were verified by standards. Among them，6 compounds could be identified and validated in both modes，including glutamic acid，phenylalanine，adenine，xanthine，guanosine，and riboflavin. Finally，hierarchical clustering analysis and principal component analysis were used to realize the discriminant analysis of Lentinula edodes samples from various varieties based on the metabolite identification. The studies indicated that the metabolites of different varieties of Lentinula edodes had unique qualities of their own，including high levels of bitter amino acids and nucleotides in 9608，vitamin and umami amino acids in Yusen No.3，as well as purine and arginine in Qihe No.9，which would provide guidance for the varieties breeding，quality evaluation and resource utilization in the future research of Lentinula edodes.关键词：Lentinula edodes;metabolomics;chemometrics;UHPLC-HRMS;AntDAS-DDA software448|133|0更新时间：2025-11-05 -
摘要：A qualitative and quantitative method was established for the determination of twenty abused drugs in DBS by high performance liquid chromatography-tandem mass spectrometry（HPLC-MS/MS）. The relative peak area was used as the evaluation index. The drying time，drying temperature and extraction solvent of DBS samples were determined by single factor experiment. The response surface method（RSM） was used to optimize the preparation and extraction conditions of DBS. Finally，the samples were dried at 50 ℃ for 20 minutes，and then extracted with a mixture of methanol-acetonitrile（13∶20，volume ratio）. The extracts were separated by Phenomenex Kinetex F5（100 mm×2.1 mm，2.6 μm） chromatography column and gradient elution was carried out with an aqueous solution containing 0.1% formic acid and acetonitrile as the mobile phases. Finally，the samples were analyzed by HPLC-MS/MS. The results showed that 20 targets in DBS showed good linearity in the range of 0.5-100 ng/mL with the correlation coefficients greater than 0.99. The limits of detection（LODs） were in the range of 0.1-1 ng/mL，and the limits of quantification（LOQs） were 0.5-5 ng/mL. The extraction recoveries at three different spiked concentrations were in the range of 81.1%-124%. The matrix effects were in the range of 84.6%-116%，and the relative standard deviations（RSDs） were all less than 15%. The intra-day precision ranged from 0.18% to 9.8%，while the inter-day precision ranged from 0.26% to 9.9%. The method is simple，rapid and sensitive，and can meet the need of rapid screening of many kinds of drug abuse in dry blood spots. DBS samples are stable and can be stored for a longer period of time under room temperature conditions without special packaging，which meet the needs of first-line real-world remote sampling.关键词：dried blood spot（DBS）;abused drugs;high performance liquid chromatography-tandem mass spectrometry（HPLC-MS/MS）;response surface method（RSM）287|107|0更新时间：2025-11-05 -
摘要：In this study，an analytical method was established for determination of allergenic protein in shrimp products based on characteristic peptides by pancreatic enzymolysis/high performance liquid chromatography-quadrupole time of flight mass spectrometry. With 100 μL 6 mol/L guanidine hydrochloride and 700 μL 50 mmol/L Tris-HCl buffer as denaturating and extraction reagents，50 mmol/L dithiositol and 100 mmol/L iodoacetamide were used to destroy and inhibit the formation of disulfide bonds by optimizing the enzymolysis time and the selection of characteristic peptide. After enzymolysis with 10 mg/mL trypsin in a weak alkaline environment created by 100 μL and 500 mol/L ammonium bicarbonate，the analytes were separated by using a Caprisil C18-X（100 mm×2.1 mm，1.8 μm） column with 0.1% formic acid aqueous solution and acetonitrile as the mobile phase for elution.The ionization was performed by Dual AJS ESI in positive mode，then the ions were detected by quadrupole time of flight mass spectrometry，with cyclic sampling performed by the Auto MS/MS ion acquisition iterative exclusion mode. IQLLEEDLER was selected as the characteristic peptide of tropomyosin according to chromatographic results. The results showed that the characteristic peptides selected in the experiment had good linear relationship in the linear range，the correlation coefficient（r2） was 0.992 0，the limit of detection was 0.68 μg/L，and the limit of quantitation was 2.28 μg/L. The recoveries of the samples were 84.5%-101% at 2 and 10 mg/kg standard levels. The method is simple，sensitive，reproducible and accurate，which can provides technical support for the identification of shrimp allergens and method reference for the identification of animal-derived components based on characteristic peptides.关键词：pancreatic enzymolysis;high performance liquid chromatography-quadrupole-time of flight mass spectrometry;shrimp products;allergenic protein;characteristic peptide segments382|95|0更新时间：2025-11-05 -
摘要：A reliable method was developed for the simultaneous determination of 8 microcystins and 2 diarrhoeal shellfish toxins in aquatic products by QuEChERS purification combined with ultra-high performance liquid chromatography-tandem mass spectrometry（UHPLC-MS/MS）. The Crucian carp and Litopenaeus vannamei samples were extracted with 95% methanol and purified by anhydrous MgSO4，graphitized carbon black（GCB） and octadecylsilane bonded silica gel（C18）. The filtrate was analyzed by a Waters ACQUITY UPLC® HSS T3 chromatographic column（2.1 mm×150 mm，1.8 μm） with mobile phase consisting of 0.1% formic acid and 5 mmol/L ammonium formate and methanol. 10 algal toxins were qualitatively and quantitatively analyzed by positive and negative electrospray ionization modes，detected by multiple reaction monitoring（MRM） mode and quantified by external standard method. The results showed that 10 algal toxins in Crucian carp and Litopenaeus vannamei showed good linear correlations with correlation coefficients（r2） not less than 0.999 0 in the corresponding concentration ranges，and the limits of detection（LODs） and limits of quantitation（LOQs） were in the ranges of 0.1-5.0 μg/kg and 0.5-10 μg/kg，respectively. Average recoveries of the 10 algal toxins in Crucian carp and Litopenaeus vannamei at three different spiked levels were 79.5%-120% and 73.2%-103%，and the relative standard deviations（RSDs，n=6） were 1.2%-14% and 1.1%-16%，respectively. The established method was applied to the analysis of 23 samples of Crucian carp，2 Silver carp and 30 Litopenaeus vannamei samples in Shanghai，and MC-LR，MC-RR and MC-LF as the mainly detected algin toxins. This method is simple，rapid，effective，highly sensitive，and is suitable for the qualitative identification and content determination of 10 algal toxins in aquatic products.关键词：QuEChERS;ultra-high performance liquid chromatography-tandem mass spectrometry（UHPLC-MS/MS）;microcystins（MCs）;diarrhetic shellfish poison（DSP）;aquatic products345|70|0更新时间：2025-11-05 -
摘要：In this study，a new type of zinc-doped carbon point（Zn/NA-CDs） was synthesized by hydrothermal method using epinephrine and zinc chloride as precursor. The optical properties of Zn/NA-CDs were studied by UV-Vis spectrophotometry and fluorescence spectrophotometry. The structural characteristics of Zn/NA-CDs were studied by X-ray photoelectron spectroscopy（XPS），transmission electron microscope（TEM），Fourier transform infrared spectroscopy（FT-IR），and X-ray diffraction（XRD）. Zn/NA-CDs showed a relatively high photoluminescent quantum yield of about 43.28%. In this study，amino acids could react with phthalic aldehyde（OPA） to produce schiff base products，which can produce fluorescence sensitization on Zn/NA-CDs. Under the optimal analysis conditions，with glycine as the model molecule，the fluorescence intensity of the system was linear with the concentration of glycine in the range of 2.5-250 mg/L，and the detection limit was 0.6 mg/L. The method can be used for the determination of amino acids in actual tobacco samples，and satisfactory test results were obtained.关键词：amino acids;Schiff base;Zn/NA-CDs;colorimetric probe;tobacco leaves411|127|0更新时间：2025-11-05 -
摘要：Series battery packs are prone to overcharge and over-discharge issues due to inconsistent individual cell characteristics，necessitating efficient electrical signal detection and in-situ restoration. Among existing active balancing solutions，capacitive detection circuits have become research hot-spot owing to compact structure and low cost. However，traditional schemes are easily constrained by the initial electrical signal distribution. To address this technical challenge，this study innovatively proposed an electrical signal detection and in-situ repair method based on the principle of bus LC resonance. By establishing a resonant operation mode，this technology achieved high-efficiency energy conversion without requiring complex control algorithms. This paper systematically elaborated on the topological design，working mechanism，and energy transfer characteristics of the resonant circuit. By establishing simulation models for 6-cell，8-cell，and 10-cell packs，both simulation analysis and experimental results demonstrate that the equalizer can support electrical signal detection and balancing for an arbitrary number of cells. Its balancing speed is independent of the number of series battery pack. The results demonstrated that the proposed method exhibits significant advantages in both energy conversion efficiency and system robustness，offering a novel technical pathway for battery pack balancing management.关键词：series battery pack;electrical signal detection;in-situ restoration;LC resonance;restorers283|56|0更新时间：2025-11-05
Scientific Papers
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摘要：In this study，we have constructed Fe3O4@ZIF-8@HRP@SiO2 nanocomposite materials，which improved the loading efficiency and stability of horseradish peroxidase（HRP），and used it for the sensitive colorimetric detection of hypoxanthine（HX） in oysters. As the product of the reaction between HX and xanthine oxidase（XOD），the H2O2 intermediate can oxidize the Amplex red（AR），and form a red product under the catalysis of the Fe3O4@ZIF-8@HRP@SiO2 nanoenzyme complex，thus enabling the quantitative analysis of HX. The material's morphology，elemental composition，and surface functional groups were characterized using transmission electron microscopy（TEM），Fourier transform infrared spectroscopy（FTIR），and particle size analysis. Under the optimal conditions，the detection range for HX is 0.005-50 μmol/L，with a limit of detection of 0.001 27 μmol/L. Compared with the traditional methods such as capillary electrophoresis and electrochemical methods，it has a wider linear range and higher detection sensitivity. This method was also used for detecting the HX content changes in oysters that were stored continuously for 96 hours at 4 ℃ and 30 ℃，further verifying its feasibility for detecting actual samples.关键词：hypoxanthine（HX）;horseradish peroxidase;freshness;enzyme immobilization;colorimetric determination328|90|0更新时间：2025-11-05 -
摘要：A quantitative proton nuclear magnetic resonance（1H qNMR） method with inverse-gated decoupling was established for the determination of the non-deuterium compound in deuremidevir hydrobromide（VV116），a new deuterated drug. CD3OD was used as the solvent to eliminate the interference of the active hydrogen，and the 13C satellites were decoupled by the noesyigld1d pulse sequence. The 1H qNMR experiment was conducted with the relaxation delay time of 15 s and 64 scanning times. The content of non-deuterium compound in VV116 was calculated using the characteristic proton peak at δ 7.53 and the aromatic proton peak at δ 7.11 as the quantitative and reference peak，respectively. The non-deuterium compound showed good linearity in the range of 0.2-2.0 mg/mL with the correlation coefficient of 0.999 9. The recoveries were 98.5%-101%，and the relative standard deviation（RSD） was 0.27%. The sample solution was stable within 24 h. The testing results of samples from five commercial batches were 0.87%-1.54%. The method was accurate，sensitive，and independent of reference materials and accurate weighing，which could be applied to the quantification of the non-deuterium compound in VV116.关键词：quantitative proton nuclear magnetic resonance;inverse-gated decoupling;deuremidevir hydrobromide;non-deuterium compound;deuterated drug429|81|0更新时间：2025-11-05 -
摘要：Based on the self-built protein electrophoresis instrument，this paper proposes a method that can realize the SDS-PAGE separation of proteins，and online analysis of its molecular weight and concentration. Through electrophoresis of 10.5-107 kDa protein Marker，and the relationship between its gray value and protein molecular concentration is analyzed by analysis of its gel electrophoresis images. Results showed that：the device can achieve rapid separation of protein samples with a molecular weight of less than 107 kDa within 30 min，and the fluorescence intensity of each protein band reaches its peak when irradiated with ultraviolet light for 5 min；Within the range of 10.5-107 kDa，the migration distance is directly proportional to the molecular weight，with a correlation coefficient of up to 0.93；For protein molecules above 20.1 kDa，the fluorescence intensity shows a linear relationship in the concentration range of 0.72-3.96 μg/μL with with correlation coefficients more than 0.988；Using the developed protein electrophoresis instrument analyzing the protein components in tears，and immunoglobulin A，lactoferrin，serum protein，lipid transport protein，and lysozyme were successfully separated from tears. Compared with the traditional protein gel electrophoresis methods，the developed self-built protein electrophoresis instrument could shorten the protein electrophoresis time from over 1.5 h to within 30 min. This study was important for the development of rapid protein molecule detection equipment.关键词：protein;sodium dodecyl sulfate-polyacrylamide gel electrophoresis;fluorescent dye;tear287|79|0更新时间：2025-11-05
Experimental Techniques and Methods
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摘要：With the rapid development of new energy technologies，lithium-ion batteries have become the primary energy storage solution due to their high energy density and long cycle life. However，during their operation，lithium-ion batteries face safety challenges such as overcharging，internal short circuits，and thermal runaway，which significantly limit their broader application. This paper provides a systematic review of the latest advancements in fault detection and fault-tolerant control technologies for lithium-ion batteries，based on the extraction and analysis of electrical signal features. Key topics covered include：classification and mechanistic analysis of common battery faults； an explanation of current mainstream fault diagnosis technologies and specific detection measures for various fault types； and the development status of fault-tolerant control technologies in lithium-ion battery systems，along with an assessment of existing challenges and future directions.关键词：lithium-ion battery;battery safety;fault detection;fault-tolerant control415|907|0更新时间：2025-11-05
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