Nonaqueous Capillary Electrophoretic Separation of Analogs of (24R)-1,24-Dihydroxyvitamin D3 Derivative as Predicted by Quantum Chemical Calculations.

Nonaqueous capillary electrophoretic (NACE) separation was obtained of analogs of (24R)-1,24-dihydroxyvitamin D3 derivative (calcipotriol) as predicted by quantum chemical calculations supported by the density functional theory (DFT). Among the key electronic properties investigated, absolute values of the dipole polarizability and energy gap between HOMO and LUMO molecular orbitals of the analog molecules differ significantly for particular analogs, and there is a direct relationship with their electrophoretic migration time. These differences and relationships suggest that the structurally related analogs should be separable in the electrostatic field. Indeed, the robust, sensitive, and rapid NACE method was first developed for the identification and determination of the anticancer analog of calcipotriol (coded PRI-2205) and its process-related impurities (coded PRI-2201, PRI-2203, and PRI-2204) in organic and aqueous biological solutions. The direct relation between the calculated electronic properties of the analogs and the experimental electrophoretic migration time could be a promising prospect for theoretically predicting the electrophoretic separations.

Quantitative determination of four mycotoxins in cereal by fluorescent microsphere based immunochromatographic assay.

BACKGROUND: Mycotoxins are secondary metabolites produced by fungi, which have serious effects on humans and animals. In this study, we selected the monodispersed polystyrene fluorescent microspheres with good luminescence performance and strong stability as markers to conjugate with four mycotoxins antibodies for preparing fluorescent probes. We have developed a fluorescent microsphere based immunochromatographic assay (FMICA) to detect sensitively and quickly zearalenone (ZEN), aflatoxin B1 (AFB1 ), fumonisin B1 (FB1 ), and ochratoxin A (OTA) in cereal. RESULTS: Under optimal experimental conditions, the procedure of this method can be completed within 10 min. The limit of detection (LOD) of FMICA for ZEN, AFB1 , FB1 , and OTA is 0.072, 0.093, 0.32, and 0.19 µg L-1 , respectively. And FMICA has good specificity and no cross-reactivity with other mycotoxins. Four mycotoxins in naturally contaminated cereal samples (corn, rice, and oat) are detected by this method, and the results are highly consistent with that of ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). CONCLUSION: The developed FMICA has good accuracy, high sensitivity, simplicity, convenience, rapidity, and low cost, and it could be employed for sensitive and quantitative detecting of mycotoxins in cereal on-site. © 2022 Society of Chemical Industry.

Optimizing the Schoenemann Reaction for Colorimetric Assays of VX and GD.

The analysis of nerve agents is the focus of chemical warfare agent determination because of their extreme toxicity. A classical chemical colorimetric method, namely, the Schoenemann reaction, has been developed to detect G agents; however, it has not been utilized for VX analysis mainly because of its low peroxyhydrolysis rate. In this study, based on the mechanism of the Schoenemann reaction, a novel rapid quantitative determination method for VX was developed by optimizing the reaction conditions, such as concentrations of peroxide and the indicator, temperature, and reaction time. Using 2 ml 0.5 wt% sodium perborate as the peroxide source, 1 ml 0.1 wt% benzidine hydrochloride as the indicator, and 1 ml acetone as the co-solvent, VX and GD in ethanol or water solutions could be quantitatively analyzed within 15 min at 60°C. Further experiments based on 31P NMR spectroscopy confirmed the existence of a peroxyphosphate intermediate during the GD assay. This quantitative colorimetry system for VX and GD analysis can be developed as a portable device for the water samples in fieldwork applications.

Study on effects of airborne Pb pollution on quality indicators and accumulation in tea plants using Vis-NIR spectroscopy coupled with radial basis function neural network.

Tea plants that have a large leaf area mainly suffer from heavy metal accumulation in the above-ground parts through foliar uptake. With the world rapid industrialization, this pollution in tea is considered a crucial challenge due to its potential health risks. The present study proposes an innovative approach based on visible and near-infrared (Vis-NIR) spectroscopy coupled with chemometrics for the characterization of tea chemical indicators under airborne lead stress, which can be performed fast and in situ. The effects of lead stress on chemical indicators and accumulation in leaves of the two tea varieties at different time intervals and levels of treatment were investigated. In addition, changes in cell structure and leaf stomata were monitored during foliar uptake of aerosol particles by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The spectral variation was able to classify the tea samples into the Pb treatment groups through the linear discriminant analysis (LDA) model. Two machine learning techniques, namely, partial least squares (PLS) and radial basis function neural network (RBFNN), were evaluated and compared for building the quantitative determination models. The RBFNN models combined with correlation-based feature selection (CFS) and PLS data compression methods were used to optimize the prediction performance. The results demonstrated that the PLS-RBFNN as a non-linear model outperformed the PLS model and provided the R-value of 0.944, 0.952, 0.881, 0.937, and 0.930 for prediction of MDA, starch, sucrose, fructose, glucose, respectively. It can be concluded that the proposed approach has strong application potential in monitoring the quality and safety of plants under airborne heavy metal stress.

Analysis of 3-nitropropionic acid in Fabaceae plants by HPLC-MS/MS.

INTRODUCTION: 3-Nitropropionic acid (3-NPA) is a toxic compound that can accumulate in esterified form in the Fabaceae family. In the Lotae tribe, many species have been identified as 3-NPA producers (e.g., Securigera varia), while some of the genetically close Lotae plants were formerly reported as 3-NPA-free (e.g., Lotus corniculatus and Anthyllis vulneraria). These plants are used as forage and have a tradition in ethnomedicine, also, the extracts of A. vulneraria are used in cosmetics. OBJECTIVES: Our aim was to investigate the 3-NPA content of these selected Fabaceae species and to develop a validated quantitative method to evaluate 3-NPA concentrations in extracts of different herbal parts and cosmetic products. MATERIALS AND METHODS: A UHPLC-ESI-Orbitrap-MS/MS method was applied for detection and identification of 3-NPA derivatives in the form of glucose esters. For the quantitative analysis, an optimized sample processing method was developed. The free 3-NPA content was determined using HPLC-ESI-MS/MS. RESULTS: 3-NPA esters could be detected in all three species, but their quantity showed a high variation. S. varia contained 0.5-1.0 g/100 g of 3-NPA, while in L. corniculatus samples only trace quantities were detectable, below the LOQ (25 ng/ml). Most of the A. vulneraria samples showed similarly low concentrations, but one sample had 3-NPA levels comparable to S. varia. 3-NPA could not be detected in the tested cosmetics containing A. vulneraria extracts. CONCLUSIONS: Using highly sensitive analytical methods, new 3-NPA-containing species were identified. The developed validated quantitative method is suitable for the determination of 3-NPA concentrations in herbal samples.

Methodology for Quantifying Volatile Compounds in a Liquid Mixture Using an Algorithm Combining B-Splines and Artificial Neural Networks to Process Responses of a Thermally Modulated Metal-Oxide Semiconductor Gas Sensor.

Metal oxide semiconductor (MOS) gas sensors have many advantages, but the main obstacle to their widespread use is the cross-sensitivity observed when using this type of detector to analyze gas mixtures. Thermal modulation of the heater integrated with a MOS gas sensor reduced this problem and is a promising solution for applications requiring the selective detection of volatile compounds. Nevertheless, the interpretation of the sensor output signals, which take the form of complex, unique patterns, is difficult and requires advanced signal processing techniques. The study focuses on the development of a methodology to measure and process the output signal of a thermally modulated MOS gas sensor based on a B-spline curve and artificial neural networks (ANNs), which enable the quantitative analysis of volatile components (ethanol and acetone) coexisting in mixtures. B-spline approximation applied in the first stage allowed for the extraction of relevant information from the gas sensor output voltage and reduced the size of the measurement dataset while maintaining the most vital features contained in it. Then, the determined parameters of the curve were used as the input vector for the ANN model based on the multilayer perceptron structure. The results show great usefulness of the combination of B-spline and ANN modeling techniques to improve response selectivity of a thermally modulated MOS gas sensor.

Determination of Genotoxic Impurity N-Nitroso-N-methyl-4-aminobutyric Acid in Four Sartan Substances through Using Liquid Chromatography-Tandem Mass Spectrometry.

N-nitroso-N-methyl-4-aminobutyric acid (NMBA) is the third N-nitrosamine impurity found in sartans. Herein, a sensitive and stable LC-MS/MS method with multiple reactions monitoring mode has been developed for the quantitative determination of NMBA in four sartan substances. The effective separation of NMBA and sartan substances was achieved on a C18 column under gradient elution conditions. The mass spectrometry method of the atmospheric pressure chemical ionization source and internal standard method was selected as the quantitative analysis method of NMBA. Then, this proposed LC-MS/MS analysis method was validated in terms of specificity, sensitivity, linearity, accuracy, precision and stability. Good linearity with correlation coefficient over 0.99 was obtained at the NMBA concentration of 3-45 ng/mL, and the limit of quantification was 3 ng/mL. Additionally, the recoveries of NMBA in four sartan substances ranged from 89.9% to 115.7%. The intra-day and inter-day relative standard deviation values were less than 5.0%. In conclusion, this developed determination method for NMBA through liquid chromatography-tandem mass spectrometry showed the characteristics of good sensitivity, high accuracy and precision, which will be of great help for the quantitative analysis of NMBA in sartan products.

Quantification of NAD(P)H in cyanobacterial cells by a phenol extraction method.

In photosynthetic organisms, it is recognized that the intracellular redox ratio of NADPH is regulated within an appropriate range for the cooperative function of a wide variety of physiological processes. However, despite its importance, there is large variability in the values of the NADPH fraction [NADPH/(NADPH + NADP+)] quantitatively estimated to date. In the present study, the light response of the NADPH fraction was investigated by applying a novel NADP(H) extraction method using phenol / chloroform / isoamyl alcohol (PCI) in the cyanobacterium Synechocystis sp. PCC 6803. The light response of NADP(H) observed using PCI extraction was qualitatively consistent with the NAD(P)H fluorescence time course measured in vivo. Moreover, the results obtained by PCI extraction and the fluorescence-based methods were also consistent in a mutant lacking the ability to oxidize NAD(P)H in the respiratory chain, and exhibiting a unique NADPH light response. These observations indicate that the PCI extraction method allowed quantitative determination of NADP(H) redox. Notably, the PCI extraction method showed that not all NADP(H) was oxidized or reduced by light-dark transition. Specifically, the fraction of NADPH was 42% in the dark-adapted cell, and saturated at 68% in light conditions.

Development of a new, simple, rapid ultra-high-performance liquid chromatography (UHPLC) method for the quantification of 2-phenoxyethanol in vaccines for human use.

A new, simple and rapid method for the quantitative determination of the antimicrobial preservative 2-phenoxyethanol, based on reverse phase ultra-high-performance liquid chromatography has been developed. The validation was performed according the ICH Q2 guideline "Validation of Analytical Procedures". The desired chromatographic separation was achieved on a Waters Symmetry C18 (150 × 4.6 mm, 5 µm) column using an isocratic elution, with detection at 270 nm wavelength. The mobile phase consisted of acetonitrile/water (55:45, v/v), pumped at a flow rate of 1 mL/min. The calibration curve and the analytical procedure are linear (r2 = 0.999) from the concentration of 0.07 mg/mL to 1.1 mg/mL. The percent relative standard deviation for intra- and inter-day precision was <1%. The recovery of 2-phenoxyethanol in vaccines ranged between 96.5 and 100.60%. The limits of detection and quantitation were 1.3 × 10-4 and 2.7 × 10-4 mg/mL, respectively. The method was found to be robust by changing the column working temperature, the percentage of acetonitrile of the mobile phase and the flow rate. The validated method can be successfully and reliably used to quantify as well as to exclude presence of 2-phenoxyethanol preservative in marketed vaccines.

Rapid determination of 20 bile acids in human serum by ultra performance liquid chromatography-tandem mass spectrometry.

A method was established for the simultaneous determination of 20 kinds of bile acids in human serum employing ultraperformance liquid chromatography-tandem mass spectrometry. Chromatographic conditions and sample preparation were optimized to achieve good separation and maximum sensitivity for these analytes. The linearity, accuracy and repeatability of the development method were validated with a series of experiments. Under the optimum conditions, good linearities were achieved in the quantitative range for each bile acid with the correlation coefficients (r2 ) >0.9901. The limit of detections (signal-noise ratio 3) of the method were in a range from 0.02 to 0.57 nmol/L. The recoveries were in the range of 88.1-109.9%, RSD < 6.12%. This method was successfully applied for the determination of bile acids in a human serum sample with simple operation, high sensitivity and good accuracy, and provides a reference for the clinical determination of bile acid content.

Screening and Analysis of Multiclass Veterinary Drug Residues in Animal Source Foods using UPLC-Q-Exactive Orbitrap/MS.

A rapid, simple, and sensitive method of detecting veterinary drug residues in animal food sources, including poultry and pork, was developed and validated. The method was optimized for over 155 veterinary drugs of 21 different classes. Sample pretreatment included a simple solid-liquid extraction step with 0.2% formic acid-acetonitrile-water and a purification step with a PRiME HLB (hydrophile-lipophile balance) solid-phase extraction cartridge. Data were collected using ultra-high-performance liquid chromatography coupled to Quadrupole-Exactive Orbitrap mass spectrometry. The limits of detection of 155 veterinary drugs ranged from 0.1 µg/kg to 10 µg/kg. The recovery rates were between 79.2 and 118.5 % in all matrices studied, with relative standard deviation values less than 15% (n = 6). The evaluated method allows the reliable screening, quantification, and identification of 155 veterinary drug residues in animal source food and has been successfully applied in authentic samples.

Insights into pH-dependent transformation of gibberellic acid in aqueous solution: Transformation pathway, mechanism and toxicity estimation.

Gibberellic acid (GA3) is widely used in agriculture and maybe transfer with groundwater flow, which is an endocrine disruptor, but few studies have focused on the transformation pathway and toxicity assessment of GA3 and its products. Here, GA3 and its transformation products in aqueous solution were identified and quantified by liquid chromatography mass spectrometry hybrid ion trap time-of-flight (LCMS-IT-TOF) and high-performance liquid chromatography (HPLC), respectively. The results showed that the half-life of GA3 transformation in ultrapure water was 16.1-24.6 days at pH=2.0-8.0, with the lowest half-life occurring at pH=8.0 and highest half-life occurring at pH=3.3. Isomerized gibberellic acid (Iso-GA3) and gibberellenic acid (GEA) were the main transformation products with a little hydroxy gibberellic acid (OH-GA3). In North China groundwater, the mass balance of GA3 and its products was 76.2%, including Iso-GA3 (58%), GEA (7.9%), GA3 (7.3%) and OH-GA3 (3%) after reaching transformation equilibrium. Using Gaussian 09 for chemical computation, it was found that the transformation mechanism of GA3 was dependent upon the bond energy and the stereochemical feature of its molecular structure. GA3 always isomerized from the γ-lactone ring due to the lowest bond energy between the oxygen terminus of the γ-lactone ring and A ring. While GA3 and its transformation products all had developmental toxicity, the predicated LC50 (96 hr) and LD50 of the main products of GA3 were much lower than those of GA3, indicating GA3 would be transformed into higher toxicity derivatives in water environments, posing a significant health risk to humans and the environment.

A simple approach to the determination of three curcuminoids with similar chemical structures in different substrates.

The determination of curcuminoids in mixtures is more difficult due to their similar chemical structures as well as serious interferences, thus the complex pretreatments of samples and the optimization of experimental conditions are often required. Here, owing to the mathematical separation of chemical signals by Tchebichef image moments, a simple and effective approach to the simultaneous quantitative analysis was proposed, and applied to the determination of the three curcuminoids in turmeric and curry based on their raw fluorescence 3D spectra. For the established linear models, the leave-one-out correlation coefficients (R loo-cv) were more than 0.9816 within the linear ranges, and the predictive correlation coefficients (R p) for the external independent samples were more than 0.9897. The intra- and inter-day precision (less than 6.82%, RSD), average spiked recovery (89.9% ~ 100.8%), LOD (less than 0.07 µg/mL) and LOQ (less than 0.23 µg/mL) suggest that the proposed approach is accurate and reliable. Compared with N-PLS and MCR-ALS methods, our method can obtain more satisfactory results. This study provides a convenient pathway for the rapid analysis of multi-target components with similar chemical structures in mixture of different substrates.

Quinolone Complexes with Lanthanide Ions: An Insight into their Analytical Applications and Biological Activity.

Quinolones comprise a series of synthetic bactericidal agents with a broad spectrum of activity and good bioavailability. An important feature of these molecules is their capacity to bind metal ions in complexes with relevant biological and analytical applications. Interestingly, lanthanide ions possess extremely attractive properties that result from the behavior of the internal 4f electrons, behavior which is not lost upon ionization, nor after coordination. Subsequently, a more detailed discussion about metal complexes of quinolones with lanthanide ions in terms of chemical and biological properties is made. These complexes present a series of characteristics, such as narrow and highly structured emission bands; large gaps between absorption and emission wavelengths (Stokes shifts); and long excited-state lifetimes, which render them suitable for highly sensitive and selective analytical methods of quantitation. Moreover, quinolones have been widely prescribed in both human and animal treatments, which has led to an increase in their impact on the environment, and therefore to a growing interest in the development of new methods for their quantitative determination. Therefore, analytical applications for the quantitative determination of quinolones, lanthanide and miscellaneous ions and nucleic acids, along with other applications, are reviewed here.

Determination of content of camel milk in adulterated milk samples by normalized real-time polymerase chain reaction system based on single-copy nuclear genes.

BACKGROUND: Compared with the traditional qualitative polymerase chain reaction (PCR), which only identifies the category of species, the quantitative PCR method provides a value, which is very important for appropriate penalty enforcement according to the extent of adulteration. However, most of the current quantitative PCR methods are based on mitochondrial genes, expressing different copy numbers in different cells and reducing the accuracy of quantitative results. In this study, single-copy nuclear housekeeping genes, instead of multicopy mitochondrial genes, were selected as both camel species-specific and reference genes to develop a novel normalized PCR system. RESULTS: This system had an excellent linear correlation (R2 = 0.9614) between camel milk content and Ct ratio (specific/reference genes), and allowed quantitative determination of the content of camel milk in adulterated milk samples. The accuracy was effectively validated using simulated adulterated samples with recoveries ranging from 90% to 120% and coefficient of variation less than 10%, exhibiting sufficient parameters of trueness and precision. CONCLUSIONS: The normalized PCR system based on single-copy nuclear genes is a simple, rapid and reliable method for the determination of the content of camel milk in adulterated milk samples, and also provides technical support for appropriate penalty enforcement. © 2020 Society of Chemical Industry.

[Forecast of the metrological characteristics of the method of the quantitative determination of verapamil in blood in forensic chemical analysis]. / Prognoz metrologicheskikh kharakteristik metodiki kolichestvennogo opredeleniya verapamila v krovi v sudebno-khimicheskom analize.

The aim of the work is to test theoretical prognosis of metrological characteristics of methods of quantitative determination in forensic chemical analysis on the example of method of determination of verapamil content in blood by thin layer chromatography with computer densitometry. The algorithm of prognostic determination of relative error for methods of quantitative analysis in forensic chemical examination using computer program «ChemMetrEvaluation 1.0¼ is offered. The implementation of the algorithm is based on a detailed analysis of error estimation of measurements at the stages of sample preparation, measuring the value of the analytical signal.

Simultaneous determination of polyphenols and triterpenes in pomegranate peel based on high-performance liquid chromatography fingerprint by solvent extraction and ratio blending method in tandem with wavelength switching.

Traditionally, pomegranate (Punica granatum L.) has been consumed as fresh fruit or as pomegranate juice. Pomegranate peel, the dried husk of P· granatum, is an important herbal medicine for treating diarrhea, hemostasis and insect-induced abdominal pain in China. However, the quality control methods for pomegranate peel remain unsatisfactory. In this work, a new HPLC-based qualitative and quantitative method for quality control of pomegranate peel was developed and validated for the simultaneous determination of polyphenols and triterpenes (including punicalagins A and B, ellagic acid, oleanolic acid and ursolic acid) by solvent extraction and ratio blending method in tandem with wavelength switching. The average recoveries were 98.07-100.61% with relative standard deviation no more than 4.27%. In addition, the fingerprint analysis was conducted to interpret the consistency of the quality test. Thirteen characteristic peaks were selected to evaluate the similarities of 16 batches of pomegranate peel. The similarities of samples were all more than 0.80, indicating that the samples from different areas of China were consistent. The results demonstrated that quantitative analysis and the HPLC fingerprint as a characteristic distinguishing method combining similarity evaluation can be successfully used to assess the quality and to identify the authenticity of pomegranate peel.

Analysis of Sildenafil in Liquor and Health Wine Using Surface Enhanced Raman Spectroscopy.

The illegal adulteration of sildenafil in herbal food supplements and alcoholic drinks immensely threatens human health due to its harmful side-effects. Therefore, it is important to accurately detect and identify the presence of sildenafil in alcoholic drinks. In this study, Opto Trace Raman 202 (OTR 202) was used as surface enhanced Raman spectroscopy (SERS) active colloids to detect sildenafil. The results demonstrated that the Raman enhancement factor (EF) of OTR 202 colloids reached 1.84 × 107 and the limits of detection (LODs) of sildenafil in health wine and liquor were found to be as low as 0.1 mg/L. Moreover, the SERS peaks of 645, 814, 1235, 1401, 1530 and 1584 cm-1 could be qualitatively determined as sildenafil characteristic peaks and the relationship between Raman peak intensity and sildenafil concentration in health wine and liquor were different. There was a good linear correlation between Raman peak intensity, and sildenafil concentration in health wine ranged 0.1-1 mg/L (0.9687< R2 < 0.9891) and 1-10 mg/L (0.9701 < R2 < 0.9840), and in liquor ranged 0.1-1 mg/L (0.9662 < R2 < 0.9944) and 1-20 mg/L (0.9625 < R2 < 0.9922). The relative standard deviations (RSD) were less than 5.90% (sildenafil in health wine) and 9.16% (sildenafil in liquor). The recovery ranged 88.92-104.42% (sildenafil in health wine) and 90.09-104.55% (sildenafil in liquor). In general, the sildenafil in health wine and liquor could be rapidly and quantitatively determined using SERS technique, which offered a simple and accurate alternative for the determination of sildenafil in alcoholic drinks.

Rapid and Quantitative Determination of Sildenafil in Cocktail Based on Surface Enhanced Raman Spectroscopy.

Sildenafil (SD) and its related compounds are the most common adulterants found in herbal preparations used as sexual enhancer or man's virility products. However, the abuse of SD threatens human health such as through headache, back pain, rhinitis, etc. Therefore, it is important to accurately detect the presence of SD in alcoholic beverages. In this study, the Opto Trace Raman 202 (OTR 202) was used as a surface-enhanced Raman spectroscopy (SERS) active colloids to detect SD. The results demonstrated that the limit of detection (LOD) of SD was found to be as low as 0.1 mg/L. Moreover, 1235, 1401, 1530, and 1584 cm-1 could be qualitatively determined as SD characteristic peaks. In a practical application, SD in cocktail could be easily detected using SERS based on OTR 202. Also, there was a good linear correlation between the intensity of Raman peaks at 1235, 1401, 1530, and 1584 cm-1 and the logarithm of SD concentration in cocktail was in the range of 0.1-10 mg/L (0.9822 < R2 < 0.9860). The relative standard deviation (RSD) was less than 12.7% and the recovery ranged from 93.0%-105.8%. Moreover, the original 500-1700 cm-1 SERS spectra were pretreated and the partial least squares (PLS) was applied to establish the prediction model between SERS spectra and SD content in cocktail and the highest determination coefficient (Rp2) reached 0.9856. In summary, the SD in cocktail could be rapidly and quantitatively determined by SERS, which was beneficial to provide a rapid and accurate scheme for the detection of SD in alcoholic beverages.

[Quantitative determination of nine furanocoumarins for quality evaluation of Angelica dahurica from different habitats].

A UPLC method has been developed for simultaneous determination of nine furanocoumarins of Angelica dahurics,and was used for quality evaluation of A. dahurica from different habitats. ACQUITY UPLC BEH C18 chromatographic column was employed,the separation was performed with the mobile phase consisting of acetonitrile and water,and the detection wavelength was set at254 nm. This method was used to simultaneously determine the content of xanthotoxol,oxypeucedaninhydrate,byak-angelicin,psoralen,xanthotoxin,bergapten,oxypeucedanin,imperatorin and isoimperatorin in A. dahurica from different habitats. Then,the further quality assessment of the drug was carried out by similarity evaluation,cluster analysis( CA),principal component analysis( PCA),and orthogonal partial least squares discriminant analysis( OPLS-DA). The content order of measured furanocoumarins from high to low was: oxypeucedanin>imperatorin>isoimperatorin>oxypeucedaninhydrate>bergapten>byak-angelicin>xanthotoxin>xanthotoxol>psoralen,with the mean content 2. 844,1. 277,0. 649 2,0. 216 2,0. 129 8,0. 062 68,0. 052 68,0. 019 30,0. 018 19 mg·g-1,respectively. There were difference between the batches of the drug,and the quality was influenced by smouldering sulphur based on the results of chemical pattern recognition and content determination. Finally,six active ingredients were recognized as the quality makers using OPLS-DA method. The validated UPLC fingerprint combined with chemical pattern recognition method can be used in the quality control and evaluation of A. dahurica.