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摘要：The identification of cottonseed cultivars is important for evaluating seed quality and variety traceability. Conventional near-infrared spectral analysis typically uses reflectance or transmittance spectra directly. However， these spectra exhibit apparent optical responses that contain information regarding coupled absorption and scattering. This study proposes a method based on optical parameters to identify cottonseed cultivars. Three typical cottonseed cultivars from Xinjiang were selected as research subjects. A total of 120 cottonseed kernel samples were used for discrimination modeling. The corresponding cottonseed shell samples were used for supplementary analysis of outer structural optical responses. The total reflectance and transmittance spectra were acquired using a near-infrared spectroscopy-integrating sphere measurement system. The spectral range was 900–1650 nm. The absorption coefficient （μa） and reduced scattering coefficient （μs′） were obtained using the inverse adding-doubling method. The μa and μs′ spectra were used to describe absorption- and scattering-related optical information， respectively. Thus， the original optical response was expressed using physically meaningful parameters. The μa and μs′ spectra of cottonseed kernels were used as model inputs. Uninformative variable elimination and competitive adaptive reweighted sampling（CARS）were performed for variable selection. Partial least squares-discriminant analysis（PLS-DA）， support vector machine， and random forest models were established for cultivar discrimination. A nested cross-validation strategy was used for model development. Outer 10-fold cross-validation was conducted to evaluate model stability. The inner procedure was used for variable selection and parameter optimization. After optimization， the final model was trained using the complete training set. An independent test set was used for external validation. The model performance was evaluated based on the nested cross-validation accuracy， test accuracy， precision， recall， and F1-score. The results showed that the optical parameters provided useful cultivar-related information. The μa-based models demonstrated good discrimination， while the CARS-PLS-DA model based on μa spectra exhibited the best comprehensive performance. By selecting 44 characteristic wavelengths from 231 full-spectrum variables， the test accuracy reached 97.22%， while the nested cross-validation accuracy was （95.83±5.89）%. These results indicate that CARS retained its effective absorption features and that variable selection reduced spectral redundancy. Similarly， the μs′-based models demonstrated discrimination ability. This suggests that scattered information contributes to the differentiation of cultivars. Direct modeling using the original reflectance and transmittance spectra demonstrated discrimination potential. However， inverse adding-doubling（IAD）-derived parameters provided a clearer optical interpretation by separately describing the contributions of absorption and scattering. Therefore， the proposed method can be used to identify cottonseed cultivars effectively. Additionally， it provides optical evidence for analyzing cultivar differences in cottonseed samples.关键词：optical properties;integrating sphere;near-infrared spectroscopy;inverse adding-doubling（IAD）;cottonseed;variety discrimination0|0|0更新时间：2026-08-17 -
摘要：In this study， we developed a simple， low-cost， and sensitive dynamic light scattering （DLS） sensor coupled with nicking enzyme-based strand displacement amplification （NESDA） to detect AFM1. Initially， the sequence containing the AFM1 aptamer partly hybridized with the primer DNA， which triggered NESDA and yielded abundant single-stranded DNA （ssDNA） in the presence of AFM1. The resulting ssDNA hybridized with AuNPs-DNA probes and thus aggregated， thus causing an increase in the average hydrodynamic diameter， which can be quantitatively determined via DLS. To enhance detection performance， the core experimental conditions， i.e.， the NESDA reaction temperature and time， concentration of template DNA， and dosage of polymerase and nicking enzymes， were systematically optimized. Under optimal conditions， the average diameter was proportional to the concentration of aflatoxin M1 within 8.3–1000.0 pmol/L and the detection limit reached 1.3 pmol/L， thus confirming the high sensitivity and feasibility of the proposed method. Furthermore， this method successfully detected aflatoxin M1 in commercial milk samples with spiked recoveries of 94.3% to 107%， thus confirming its reliability. The proposed strategy demonstrates significant potential for application in food-safety assessments.关键词：aflatoxin M1;strand displacement amplification;dynamic light scattering;nicking enzyme;Au nanoparticles;milk0|0|0更新时间：2026-08-17 -
摘要：Prussian blue （PB） nanozymes were prepared via chemical co-precipitation， and their morphology， composition， and structure were characterized. Kinetic analyses of the enzymatic activity indicated that the Michaelis constant （Km） of the PB nanozymes in the reaction with H2O2 and TMB was 1.65 and 1.79 mmol/L， respectively， with corresponding maximum reaction rates （Vmax） of 1.87 × 10-8 and 1.55 × 10-8 mol·L-1·s-1. These data prove that the PB nanozymes possess favorable peroxidase-like （POD） catalytic activity. We further established a colorimetric method for the rapid determination of the peroxide value （POV） in edible vegetable oil using the PB nanozymes. The experimental results demonstrated a linear correlation between the POV and absorbance of the detection system. The linear detection range was 0–0.30 g/100 g， and the limit of detection （LOD） was 0.020 g/100 g. The correlation coefficient （r2） for this method versus the national standard method reached 0.9724， with a relative standard deviation （RSD） of less than 9.5%. The developed colorimetric method features simple operation， high accuracy， and excellent stability. It offers a new technical strategy for evaluating the oxidation degree of edible vegetable oils.关键词：Prussian blue （PB） nanozyme;edible vegetable oil;peroxide value;colorimetric detection2|0|0更新时间：2026-08-17 -
摘要：This study established a novel method for the simultaneous determination of 23 perfluoroalkyl substances （PFASs） in surface water， groundwater， seawater， domestic sewage， and industrial wastewater by combining online solid-phase extraction with large-volume injection technology and high-performance liquid chromatography-tandem mass spectrometry （HPLC-MS/MS）. This green analytical technique has several advantageous features： low sample consumption， low solvent usage， broad detectable target spectrum， high analytical efficiency， and excellent environmental compatibility. Water samples were prepared for analysis by mixing them with methanol and ammonium acetate （final concentrations： 10% methanol and 2 mmol/L ammonium acetate）， after which they were filtered and directly injected. Following online enrichment on a WAX column， the analytes were transferred to a C18 analytical column and separated within 14 min by gradient elution using acetonitrile-2 mmol/L ammonium acetate as the mobile phase. The PFASs were detected by tandem mass spectrometry in multiple reaction monitoring （MRM） mode and were quantified using the isotope internal standard method. The 23 target PFASs exhibited good linearity in the range of 0.50-100 ng/L， with all correlation coefficients（r） exceeding 0.998， and detection limits ranging from 0.05 to 0.42 ng/L. The developed method was used to analyze 14 real water samples collected in Liaoning Province， including surface water， groundwater， seawater， and the effluent of a wastewater treatment plant. Eleven PFASs were detected， with PFBA， PFPeA， PFHxA， PFOA， PFBS， and PFOS being the predominant contaminants. Compared with conventional offline solid-phase extraction methods， this method requires small water samples（only 5 mL） and features a high degree of automation in terms of sample pretreatment. The new method provides a simple， rapid， and accurate analytical tool for routinely monitoring legacy and emerging PFASs in different types of water environments.关键词：online solid-phase extraction;large-volume injection;liquid chromatography-tandem mass spectrometry;per- and polyfluoroalkyl substances;water2|0|0更新时间：2026-08-17 -
摘要：Ultra-fast liquid chromatography-quadrupole-time-of-flight tandem mass spectrometry（UFLC-Q-TOF-MS/MS） was employed to analyze the prototype compounds and metabolites of Zhangyanming Tablet extract in the urine and feces of Beagle dogs. The mobile phase consisted of water and acetonitrile，both containing 0.1% formic acid（volume fraction）. Gradient elution was performed on a Kinetex C18（2.1 mm×100 mm，2.6 μm） column，with a flow rate of 0.3 mL/min and the column temperature maintained at 40 ℃. An electrospray ionization（ESI） source was used to scan the m/z range from 50 to 1 500 in both positive and negative ion modes. A total of 36 prototype compounds and 13 derived metabolites in Beagle dog urine and feces were characterized by analyzing retention time，MS fragments，reference standards，database，and literature data. The main metabolic reactions included phase I（hydrogenation，deglucosylation） and phase Ⅱ reactions（glucosylation，methylation，xylosylation，glucuronidation，sulfation）. This study revealed the in vivo metabolic biotransformation of Zhangyanming Tablet extract in Beagle dogs，providing scientific evidence and references for elucidating the pharmacologically active substances and facilitating clinical application of Zhangyanming Tablet.关键词：Zhangyanming Tablet extract;UFLC-Q-TOF-MS/MS;Beagle dog;urine;feces;metabolism in vivo54|12|0更新时间：2026-08-17 -
摘要：To address decision-making bottlenecks caused by scarce standard reference materials and limited sample sizes during near-infrared spectroscopy（NIRS） equipment trials in the pharmaceutical industry，this study proposes a dual evaluation strategy combining“absorbance dynamic repeatability”and“small-sample modeling potential”.This strategy is based on the“4S principles”for material screening and a multicriteria decision analysis（MCDA） model. Three NIRS instruments with different spectroscopic principles—Fourier transform（A） and grating-based（E and Ⅰ）—were selected to evaluate absorbance precision using three nonstandard materials（mannitol，stearic acid，and polyethylene） as carriers. Simultaneously，targeting the moisture quantification of Guizhi Fuling Capsules soft material，small-sample partial least-squares models were constructed via leave-one-out cross-validation to compare the application modeling potential of each instrument. The results revealed significant performance disparities：Instrument A exhibited optimal absorbance precision and modeling accuracy（RMSECV=0.192 3，R2CV=0.946 9），with its integrated MCDA score（92.93） leading significantly，thereby reflecting the hardware advantages of a high signal-to-noise ratio. Instrument E exhibited significantly inferior absorbance repeatability compared with the other devices，with its inherent hardware instability constraining its modeling potential. Instrument I revealed significant defects in its temperature control system during tests on a thermosensitive sample（stearic acid），thus resulting in measurement failure. This strategy requires no expensive standard reference materials and accurately identifies hardware risks using small sample sizes，thus providing an economical，efficient，and metrologically credible decision-making reference for equipment selection and risk assessment in pharmaceutical enterprises.关键词：near-infrared spectroscopy;instrument evaluation and selection;absorbance repeatability;partial least squares;leave-one-out cross-validation24|9|0更新时间：2026-08-17 -
Graphene Oxide-enhanced Fluorescent Quenching Lateral Flow Immunoassay for Detection of Isocarbophos AI导读
摘要：In this study，an efficient quencher was prepared by loading branched-Au nanoparticles（BA） onto graphene oxide（GO）. Based on the quenching of the fluorescent signal from red aggregation-induced emission fluorescent microspheres（RAIEFM），a lateral flow immunoassay（LFIA） method for the semi-quantitative detection of isocarbophos was established. GO@BA exhibited a high molar extinction coefficient of 2.376×10⁹ L·mol⁻¹·cm⁻¹ at 640 nm，and its fluorescence quenching constant（Kn） against RAIEFM in aqueous solution reached 4.076×10⁹ L·mol⁻¹. By measuring the changes in fluorescence lifetime，the quenching mechanism of GO@BA was confirmed to be the inner filter effect. The fluorescence quenching LFIA based on GO@BA enabled highly sensitive detection of ICP，with a limit of detection as low as 0.006 3 ng/mL，which represented a 7.5-fold improvement in sensitivity compared with traditional AuNPs-LFIA，and the linear range was 0.20-6.25 ng/mL. When this method is applied to the detection of isocarbophos in cucumbers，green vegetables，and wolfberries，the spiked recovery rate ranges from 82.2% to 104%，the relative standard deviation does not exceed 20%，and it shows good consistency with the detection results of the liquid chromatography-tandem mass spectrometry method. The established method has good specificity and high sensitivity，providing a new idea for the on-site rapid detection of isocarbophos.关键词：graphene oxide;Au nanoparticles;fluorescence quenching;lateral flow immunoassay;isocarbophos64|174|0更新时间：2026-08-17 -
摘要：Iron tetracarboxyphenylporphyrin was used as a precursor to prepare an iron-porphyrin-based hydrogen-bonded organic framework that was further modified with gold nanoparticles and a tetracycline-specific aptamer. Relying on the peroxidase-like nanozyme activity of this material，3，3'，5，5'-tetramethylbenzidine（TMB）was catalytically oxidized to produce a color response in the presence of H2O2. The modification of the aptamer enhanced both the catalytic activity of the nanozyme and the selectivity of the assay，enabling highly sensitive and selective detection of tetracycline. The experimental results showed that rapid colorimetric detection of the target analyte could be achieved using ultraviolet-visible spectrophotometry and smartphone-based color acquisition. Smartphone-assisted color reading enabled intelligent visual detection of tetracycline. The developed method exhibited a good linear relationship with tetracycline concentrations in the range of 0.000 5-800 μmol/L，with a regression coefficient（r2） of 0.996 and a limit of detection（S/N=3） of 0.49 nmol/L. Moreover，it demonstrated favorable selectivity，with spiked recoveries ranging from 85.3% to 100%. Owing to its simple operation and low cost，this method provides a novel strategy for rapid visual detection of tetracycline in feed，demonstrating potential for practical applications.关键词：tetracyclines;iron porphyrin hydrogen-bonded organic frameworks;aptamers;colorimetric sensors;feed23|13|0更新时间：2026-08-17 -
摘要：Early and accurate diagnosis of pancreatic cancer represents a pivotal breakthrough for improving patient survival. Although exosome-based liquid biopsy has demonstrated immense promise and attracted widespread attention，existing methods for isolating pancreatic cancer exosomes from blood still face two major bottlenecks：low reaction efficiency within laminar-flow microchips and the lack of tumor-specific exosomal protein markers，which severely compromise both separation specificity and efficiency. To tackle these limitations，this study developed a phenylboronic acid-functionalized three-dimensional nano-herringbone microfluidic chip. By exploiting the covalent binding between phenylboronic acid and the aberrantly overexpressed glycosylated cis-diol structures on tumor exosome surfaces，the chip achieves broad-spectrum，high-affinity recognition of tumor-derived exosomes. Simultaneously，the periodically ordered nano-herringbone array induces microvortices that disrupt the laminar diffusion boundary layer，substantially enhancing the collision and binding efficiency between exosomes and the chip interface. The results demonstrated that the chip achieved a capture efficiency of approximately 85% for exosomes derived from three pancreatic cancer cell lines，PANC-1，SW1990，and PACA-2. In stark contrast，exosomes from normal pancreatic hTERT-HPNE cells exhibited minimal binding，and tumor exosomes subjected to PNGase F-mediated N-glycan cleavage lost nearly all ability to be captured，definitively confirming that the chip's specific capture is dependent on glycan recognition. Building upon this capability，the chip further integrates in situ enzymatic fluorescence signal amplification，successfully enabling simultaneous molecular profiling of six pancreatic cancer-associated membrane protein markers—PSMA，CEA，MUC-1，NCL，PTK7，and EpCAM—within a single sample. All six markers were significantly overexpressed in tumor-derived exosomes，and distinct cell lines displayed characteristic expression signatures，demonstrating the chip's capacity to distinguish tumor-derived from normal exosomes and to identify pancreatic cancer molecular subtypes. By integrating glycan-based chemical recognition，efficient fluidic mass transport，and multiplexed molecular profiling into a unified platform，this study provides a novel，antibody-independent separation，highly specific，and multi-dimensional information-enriched technology for early pancreatic cancer liquid biopsy，exhibiting significant application prospects in the clinical accurate diagnosis and molecular subtyping of pancreatic cancer.关键词：microfluidic chip;exosome;Liquid biopsy;Biomarker;Pancreatic Cancer46|11|0更新时间：2026-08-17 -
摘要：In this study，an analytical method based on headspace-gas chromatography-mass spectrometry（HS-GC-MS） was established for the simultaneous determination of 33 harmful volatile organic solvents（VOCs） in cosmetics. The sample was prepared by dispersion in methanol followed by dilution with water，and equilibrated at 65 ℃ for 30 min. The separation was performed on a VF-1301 capillary column（30 m×0.25 mm×1 μm），and detection was carried out in selected ion monitoring（SIM） mode. Quantification was performed using toluene-D8 or 1，2-dichlorobenzene-D4 as internal standards. The selection of solvent calibration curves or matrix-matched calibration curves was based on the properties of each matrix.The results showed good linearity of 33 VOCs in corresponding concentration ranges，with the correlation coefficients（r） ranging from 0.995 9 to 0.999 8. The limits of detection（LODs） ranged from 0.02 to 0.40 mg·kg-1，and the limits of quantification（LOQs） ranged from 0.05 to 1.0 mg∙kg-1. At three spiked levels，the average recoveries of the five matrices（aqueous，cream，gel，lotion and powder） ranged from 85.1% to 119%，with relative standard deviations（RSDs） between 0.20% and 8.4%. The method was used to analyze 169 commercially available cosmetic products，and 78 batches were found to contain the target compounds. Among them，toluene，o-xylene，ethylbenzene，m-Xylene & p-Xylene，and benzene showed relatively high detection rates of 34.9%，20.1%，20.1%，17.8% and 10.1%，respectively. Positive samples were mainly concentrated in sunscreen and hair dye cosmetics. The content of benzene exceeded the limit（2.0 mg∙kg-1） in 11 batches of hair dye cosmetics，and prohibited raw materials such as dichloromethane and trichloromethane were detected in 3 batches of other product types. The method is simple，rapid，sensitive，and accurate，making it suitable for high-throughput detection of various harmful VOCs in cosmetics.关键词：headspace-gas chromatography-mass spectrometry;cosmetics;volatile organic solvents;benzene series;prohibited raw materials41|8|0更新时间：2026-08-14 -
摘要：An analytical method was established for the determination of 101 emerging contaminants（ECs） in human serum using high performance liquid chromatography-tandem mass spectrometry（HPLC-MS/MS）. Serum samples were treated with acetonitrile to precipitate proteins. After thorough mixing，vortexing，and centrifugation，the supernatant was purified using phospholipid removal columns. Separation was achieved on an ACQUITY HSS T3 column（100 mm×2.1 mm，1.8 μm） with a mobile phase consisting of 0.02% formic acid aqueous solution and acetonitrile-methanol（1∶1，volume ratio）. The ion source for the tandem mass spectrometry was an electrospray ionization source（ESI），mass spectrometric data acquisition was performed in multiple reaction monitoring（MRM） mode，and quantification was carried out using matrix-matched external standards. The results demonstrated good linearity for all 101 contaminants within their respective concentration ranges，with correlation coefficients（r2） ranging from 0.993 3 to 0.999 9. The limits of detection（LODs） and limits of quantification（LOQs） were 0.01-0.94 ng/mL and 0.03-3.20 ng/mL，respectively. At three spiked levels（5，20，and 50 ng/mL），the recoveries ranged from 75.0% to 122%，with relative standard deviations（RSDs，n=6） of 1.0%-9.8%. The method was applied to analyze 17 human serum samples，detecting 43 pollutants at concentrations ranging from 0.01 to 48.1 ng/mL. This method features efficient sample preparation，high sensitivity，and good stability，making it suitable for the rapid screening of multiple emerging pollutants in human serum.关键词：high performance liquid chromatography-tandem mass spectrometry;serum;emerging contaminants;phospholipid removal column39|7|0更新时间：2026-08-14 -
摘要：Accurate analysis of the mutation status of the HRAS gene fragment is closely related to the early screening and treatment of various human cancers. Herein，we report the simultaneous detection and analysis of DNA fragments encompassing HRAS codons 11 and 12，utilizing a custom-built high-performance capillary electrophoresis（HPCE） system coupled with a spatial internal standard method（SDIS）. Following rigorous validation of the platform's reliability，stability，and accuracy，optimal baseline separation was achieved within just 6 minutes using a 1.0% hydroxyethyl cellulose（HEC，1 300 K） sieving matrix and a 100 V/cm electric field. The analytical performance proved highly robust：relative standard deviations（RSDs） remained below 2.5%. Both target fragments exhibited excellent quantitative linearity（r²>0.95），achieving limits of detection（LOD） as low as 0.059 ng/μL and 0.061 ng/μL. Compared to conventional quantitative polymerase chain reaction（qPCR） and sequencing technologies，this custom-built system exhibits significant advantages in cost，analysis time，and device portability. By integrating the SDIS method，it achieves highly sensitive targeted analysis of HRAS gene fragments.关键词：high-performance capillary electrophoresis;HRAS gene;SDIS method;gene mutation detection63|8|0更新时间：2026-08-14 -
摘要：The mercury sulfide（HgS） content is the core indicator for the quality eval uation of cinnabar. To address the limitations of traditional determination methods，which are time-consuming，destructive，and inadequate for rapid quality control，this study combined X-ray diffraction（XRD） with multiple machine learning algorithms to develop a predictive modeling system comprising partial least squares regression（PLSR），random forest（RF），particle swarm optimization-support vector regression（PSO-SVR），long short-term memory（LSTM），and one-dimensional convolutional neural network（1D-CNN）. Various spectral preprocessing methods and feature selection algorithms were systematically investigated，and the shapley additive explanations（SHAP） framework was introduced to elucidate the decision-making logic of the models. The results indicated that after applying standard normal variate（SNV） preprocessing coupled with competitive adaptive reweighted sampling（CARS） for feature selection，the PSO-SVR and LSTM models exhibited the best overall performance. For the LSTM model，the coefficients of determination for the calibration and validation sets（R²C，R²V） were 0.992 6 and 0.879 4，respectively，with root mean square errors（RMSEC，RMSEV） of 0.120 5 and 0.411 5，and a residual predictive deviation（RPD） of 2.879 7. The PSO-SVR model achieved an R²v of 0.865 0，an RMSEv of 0.435 4，and an RPD of 2.721 4. External validation on 10 independent sample batches yielded R² values all exceeding 0.82，confirming the models' strong generalization ability and robustness. SHAP analysis further revealed that the diffraction intensities within the 2θ ranges of 24°-35° and 50°-60° were the core features driving model decisions. Specifically，the features corresponding to key diffraction angles identified by the models，such as 27.92° and 45.59°，showed a significant positive correlation with HgS content，demonstrating a high consistency between algorithmic decision-making and the crystal diffraction characteristics of HgS. The integration of XRD with intelligent algorithms enables non-destructive，rapid，and accurate prediction of HgS content in cinnabar，providing methodological support for the rapid quality evaluation of mineral medicines and the construction of intelligent quality control systems.关键词：X-ray diffraction;cinnabar;HgS;long short-term memory（LSTM）;particle swarm optimization-support vector regression（PSO-SVR）;rapid detection34|12|0更新时间：2026-08-14 -
摘要：Current ecological risk assessments of microplastics predominantly use spherical particles as models，paying insufficient attention to ubiquitous non-spherical microplastics，such as fibers. This oversight may lead to an underestimation of their migration and accumulation risks in benthic environments. This study employed rare-earth upconversion nanoparticles（UCNPs） tracer technology，combined with ICP-MS quantification and time-gated imaging（TGI），to compare the environmental fate and bioaccumulation characteristics of spherical PS and fibrous PAN during a 30-day exposure period within a multi-trophic estuarine intertidal mesocosm. The results indicate that PAN rapidly settles and accumulates in sediments，reaching a concentration of（30.94±5.52） μg·g-1 after 30 days；in contrast，PS remains suspended in the water column for a longer period. The accumulation concentration of PS in the biofilmed leaves of eelgrass（Zostera asiatica） reached as high as（511.69±108.16） μg·g-1，with a BCF of 11 449. The concentration of PS in the digestive gland of Crassostrea gigas（15.26±1.12 μg·g-1） was significantly higher than the PAN concentration. In contrast，Rapana venosa and Sebastes schlegelii exhibited a higher tendency to accumulate PAN in the sedimentary phase，with the material primarily retained in metabolic organs such as the digestive gland and liver. This study demonstrates that the physical characteristics of microplastics，including density，morphology，and their derived effective hydrodynamic size，are critical factors regulating their environmental fate and biological exposure pathways，providing a scientific basis for the precise control and risk prediction of microplastic pollution in estuaries.关键词：microplastics;mesocosm;estuarine intertidal zone;environmental fate;bioaccumulation;upconversion nanoparticles（UCNPs）34|18|0更新时间：2026-08-14 -
摘要：Notoginsenoside Fa is a highly promising natural product； additionally， chemical transformation is an important approach for expanding its structural diversity and investigating its potential medicinal value. This study uses 12-tungstosilicic acid as a catalyst to hydrolyze notoginsenoside Fa in an aqueous system to modify the structure of notoginsenoside Fa， further diversify its structure， and obtain novel rare saponins. The structures of the products were rapidly identified using high-performance liquid chromatography coupled with high-resolution multi-stage tandem mass spectrometry， and the effects of different reaction conditions on product distribution were investigated through single-factor analysis. In an acidic environment， it is primarily converted into 18 compounds—such as 3-Xyl-（20S/R）-25-OH-Rg3， 3-Xyl-（20S/R）-Rg3， 3-Xyl-25-OH-Rg5/Rk1， and 3-Xyl-（20S/R， 25）-epoxy-Rg3—with an oxygen-containing six-membered ring structure. The reactions involve pathways including deglycosylation， epimerization， elimination， hydration， and intramolecular cyclization. Single-factor analysis showed that the content of most products stabilized after 6 h of reaction at 60 ℃. This study not only introduces a novel method for the structural modification of Notoginsenoside Fa， thereby confirming the high catalytic ability of polyoxometalates in the structural transformation of natural products but also provides a theoretical basis for the preparation of structurally novel rare saponins.关键词：notoginsenoside Fa;12-silicotungstic acid;rare saponins;catalytic transformation;structural identification;HPLC-HRMS/MSn3|1|0更新时间：2026-08-14 -
摘要：To meet the demand for rapid online quality monitoring during the production of traditional Chinese medicine formula granules， near-infrared spectroscopy （NIRS） was employed to evaluate the quality consistency of Angelica sinensis formula granules. An ultra-performance liquid chromatography （UPLC） fingerprint was established， and the contents of adenosine， tryptophan， and ferulic acid were determined to serve as chemical references； the study then focused on constructing and granules from four manufacturers were collected； their NIRS spectra were acquired， and a consistency testing model was established. The similarity of the UPLC fingerprints of Angelica sinensis formula granules ranged from 0.953 to 0.999. The content ranges for adenosine， tryptophan， and ferulic acid were 0.16-0.61 mg/g， 0.3a5-0.91 mg/g， and 0.83-1.40 mg/g， respectively. These results indicate that NIRS is suitable for the rapid screening of quality consistency and identification of manufacturer-related differences in Angelica sinensis formula granules. In combination with precise UPLC analysis， NIRS may provide a useful technical approach for production-process monitoring and quality evaluation of Angelica sinensis formula granules.关键词：Angelica sinensis formula granules;fingerprint;content determination;near infrared spectroscopy （NIRS）;quality evaluation2|0|0更新时间：2026-08-14 -
摘要：Against the background of China’s “dual carbon” goals and the green and low-carbon transformation of the manufacturing industry， traditional Chinese medicine granulation processes urgently require a quantifiable and comparable greenness evaluation method. However， existing evaluation methods mainly focus on single indicators such as energy consumption， yield， or process type and lack unified system boundaries， functional units， and quality constraints， making it difficult to objectively reflect the greenness of different granulation processes. Therefore， based on the concept of carbon footprint accounting， this study defines “from extract or concentrated liquid to qualified granules” as the process boundary and “unit output of qualified granules” as the functional unit. The key emission sources in traditional Chinese medicine granulation are summarized， the greenness characteristics of different granulation and drying-forming process routes are compared， and a formula for evaluating the greenness of traditional Chinese medicine granulation processes is proposed. The application of this formula is illustrated with literature cases of spray drying and fluidized bed granulation， showing that it can uniformly convert energy consumption， material input， process loss， auxiliary system operation， and quality deviation in different processes into unit qualified particle output. This method can provide a reference for the low-carbon evaluation， route screening， and intelligent optimization of traditional Chinese medicine granulation processes.关键词：carbon footprint;traditional Chinese medicine granulation;spray drying;green evaluation method;functional unit4|2|0更新时间：2026-08-14 -
摘要：The O 1s XPS binding energy is a key indicator for identifying oxygen chemical environments in inorganic materials with broad applications in energy materials， catalysis， and synthesis monitoring. However， the cross-system peak assignment relies heavily on extensive validation experiments. In this study， we developed a composition-driven machine learning framework based on O 1s binding energy data from 514 oxygen-containing inorganic compounds. This framework exclusively uses chemical formula inputs for low-cost pre-experimental peak-position estimation and trend assessment. Using the original compositional descriptors， the Gradient Boosting model achieved a test MAE of 0.505 eV. After introducing physically inspired descriptors， including the cation field strength and transition metal fraction， the MAE decreased to 0.481 eV and R2 increased to 0.716. The mean cation radius was identified as a key variable， a finding further supported by the XPS measurements of Ca14Mg5M4O25 （M=Al， Sc， Y）. For the paired salt/oxide systems， the model predicted the relative chemical shifts with an MAE of 0.339 eV and a R2 of 0.822. This method provides a low-cost and interpretable auxiliary reference for XPS analysis of complex oxygen-containing inorganic materials.关键词：green and efficient analysis;X-ray photoelectron spectroscopy;chemical shift;machine learning;compositional descriptors3|2|0更新时间：2026-08-14 -
摘要：An analytical method based on liquid-liquid extraction coupled with gas chromatography-triple quadrupole mass spectrometry（GC-MS/MS） was developed and validated for the determination of 13 polychlorinated biphenyls（PCBs） congeners in honey. After filtration through an organic membrane，the extracts were analyzed by GC-MS/MS. Separation was performed on a DB-5HT capillary column（15 m×250 μm×0.10 μm），detection was carried out in multiple reaction monitoring（MRM） mode，and quantification was achieved using the external standard method. Under optimized conditions，good linearity was observed for all 13 PCBs in the concentration range of 0.1-100 μg/L，with correlation coefficients greater than 0.99. The method detection limits were 0.37-0.93 μg/kg，and the quantification limits were 1.17-2.97 μg/kg. The average recoveries at spiked levels of 5.0，10.0，50.0 μg/kg ranged from 82.3% to 106%，with relative standard deviations between 3.0% and 10%. The proposed method is simple and rapid in sample pretreatment，exhibits high analytical efficiency，and demonstrates good accuracy and precision，making it suitable for the routine detection of PCBs in honey samples.关键词：honey;polychlorinated biphenyls;liquid-liquid extraction;gas chromatography-triple quadrupole mass spectrometry35|13|0更新时间：2026-08-13 -
摘要：An analytical method based on liquid-phase microextraction coupled with portable ion trap mass spectrometry was developed for the determination of fentanyl，alfentanil，sufentanil，α-methylfentanyl，and acetylfentanyl in urine. Samples were extracted using a menthol-thymol natural deep eutectic solvent（NADES） supported on polypropylene fibers and subsequently analyzed by portable mass spectrometry for rapid detection. The five fentanyl analogues exhibited good linearity within the concentration range of 50-400 ng/mL，with correlation coefficients（r2） all greater than 0.99. The limits of detection（LODs） and limits of quantification（LOQs） were 5-20 ng/mL and 10-50 ng/mL，respectively. Using blank urine as the matrix，at low，medium，and high spiked concentration levels，the intra-day spiked recoveries of the five fentanyl analogues ranged from 84.1% to 119%，with relative standard deviations（RSDs） of 2.6%-9.9%. The inter-day spiked recoveries ranged from 87.7% to 116%，with RSDs of 5.5%-9.7%. The method was applied to the analysis of five random urine samples，and fentanyl and sufentanil were detected in two of them. The results demonstrate that the proposed method is suitable for the rapid monitoring and analysis of fentanyl analogues in urine matrices，and can effectively facilitate on-site investigation and support anti-drug enforcement efforts.关键词：fentanyl;portable mass spectrometry;polypropylene fiber;Liquid-phase microextraction;natural deep eutectic solvent33|15|0更新时间：2026-08-13
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