To explore the feasibility and potential applications of high-resolution cyclic ion mobility separation mass spectrometry (Cyclic IMS) for detecting the conformations (topological isomers) of complex medicines.

Using MccJ25 and Rubrinodin lasso peptides as models，the compounds were subjected to heat treatment at 0，50，and 80 ℃ for 4 h，respectively. The samples were then directly injected for separation and detection using high-resolution Cyclic IMS.

The two model compounds exhibited different topological structural changes at three temperatures tested. MccJ25 showed no significant conformational changes and exhibited a relatively stable topological structure across all temperatures. In contrast，Rubrinodin demonstrated significant conformational changes at each temperature. The cyclic ion mobility cell in Cyclic IMS was able to accurately identify conformational changes，such as folding and unfolding，in the complex drugs.

Cyclic IMS can precisely analyze the conformation (topological isomers) of complex drugs，detect small conformational changes，and offers strong operability，good reproducibility，and high accuracy. It holds potential for use in the conformational determination and quality control of complex drug molecules.

To establish the substances benchmarks fingerprint of Daqinglong decoction and determine the content and transfer rate of 6 index components，and study the transfer rule of Daqinglong decoction substances benchmarks value，which laid the foundation for the study of Daqinglong decoction compound preparation and quality standard.

Fifteen batches of substances benchmarks of Daqinglong decoction were prepared，and the paste rate was determined. To determine the contents of ephedrine，pseudoephedrine，amygdalin，and cinnamic acid，HPLC method was performed on a Dikma Platisil C₁₈ column (250 mm×4.6 mm，5 μm). And 0.15% phosphoric acid water (A) and acetonitrile (B) were used as mobile phases with gradient elution at a flow rate of 1 mL·min^-1. The column temperature was 25 ℃，the detection wavelength was 207 nm，and the injection volume was 10 μL. To determine the contents of liquiritin and glycyrrhizic acid，0.05% phosphoric acid water (A) and acetonitrile (B) were used as mobile phases with gradient elution. The detection wavelength was 237 nm. The transfer rate was calculated，and the transfer analysis from the decoction pieces to the substances benchmarks was carried out.

The fingerprint similarities of 15 batches of Daqinglong decoction substances were ≥0.921. Fifteen common peaks were identified，including 8 from Ephedrae Herba，3 from Cinnamomi Ramulus，2 from Glycyrrhizae Radix et Rhizoma(fried)，and 2 from Armeniacae Semen Amarum(here). The contents of ephedrine，pseudoephedrine，amygdalin，liquiritin，cinnamic acid and glycyrrhizic acid were 0.94%-1.30%，0.56%-1.02%，0.70%-1.25%，0.18%-0.32%，0.05%-0.10% and 0.46%-1.23%，respectively. The transfer rates were 41.67%-59.47%，42.66%-59.74%，17.59%-36.34%，21.48%-44.75%，31.06%-48.89% and 12.95%-25.15%，respectively. The paste yields of substances benchmarks were 11.98%-13.38%.

The fingerprint combined with the determination of paste rates and index component contents are used to study the quantitative value transfer of Daqinglong decoction substance benchmarks，and initially establish a scientific and stable substance benchmarks quality evaluation method，which can provide reference for the future research on compound preparation.

To conduct odor analysis of the main effective components, namely volatile oils, contained in two varieties, Notopterygium incisum Ting ex H.T.Chang and Notopterygium franchetii H.de Boiss, to provide a feasible method for promptly and accurately distinguishing between the differences in volatile oils of these two varieties of Notopterygii Rhizoma et Radix. This enriches the traditional evaluation content and serves as a reference for assessing the quality of extracts predominantly governed by volatile oils.

The flavors of two samples of Notopterygii Rhizoma et Radix volatile oil were analyzed using electronic nose technology and sensory evaluation. The electronic nose data obtained were subjected to analysis and identification through principal component analysis (PCA) and linear discriminant analysis (LDA). Additionally，two nondestructive testing models-Fisher discrimination and multilayer perceptron (MLP) neural network discrimination were established for sample differentiation.

Sensory evaluation results indicated that pine resin flavor，cool flavor and woody flavor were the primary odor characteristics of both Notopterygii Rhizoma et Radix volatile oils. Additionally，the key flavor attribute influencing acceptance and differentiation was identified as spoiled yuba flavor，with the Notopterygium franchetii H. de Boiss volatile oil exhibiting a stronger presence of this attribute than the Notopterygium incisum Ting ex H. T. Chang volatile oil. The electronic nose results revealed that the nitrogen oxides’ response values in Notopterygium franchetii H. de Boiss volatile oil were significantly higher than those in Notopterygium incisum Ting ex H. T. Chang volatile oil. Meanwhile，the response values of hydrides，alcohol ether aldehydes，and ketones were slightly lower in Notopterygium franchetii H. de Boiss volatile oil compared to Notopterygium incisum Ting ex H. T. Chang volatile oil. The Fisher discriminant model demonstrated overall discrimination rates of 93.8% for the training set and 87.5% for the prediction set of the two volatile oils. In contrast，the MLP model achieved discrimination rates of 89.3% for the training set and 91.7% for the prediction set. Notably，the MLP model proved effective for identifying volatile oils，while the Fisher model exhibited greater suitability for discriminating volatile oils with broad-leaved characteristics.

The combination of artificial senses and intelligent senses can be characterized from both subjective and objective perspectives，elucidating the flavor differences between the two kinds of Notopterygii Rhizoma et Radix volatile oils. The established Fisher discriminant function and MLP discriminant models can rapidly and accurately distinguish between the two kinds of Notopterygii Rhizoma et Radix volatiles. This lays a preliminary foundation for quality control in Notopterygii Rhizoma et Radix volatiles and offers new ideas and directions.

To analyze the variation of volatile components during oxidative rancidity of Scorpion, and identify the main components resulting in the rancid flavor of Scorpion.

Scorpion samples were subjected to accelerated oxidation experiment for 50 d，starting from 0 d，and sensory evaluation of the sample was performed every 10 d. At the same time，the volatile components were detected by solid phase microextraction GC-MS(SPME-GC-MS). Six groups of data were obtained. The volatile components obtained were searched by computer，and the results were matched with the NIST 20 database to determine the chemical structure of that. Meanwhile，the relative content of volatile components was calculated by using 2-octanol as internal standard，and the main components of Scorpion’s rancid flavor were screened out through principal component analysis and cluster analysis.

A total of 51 volatile components such as aldehydes，acids and furans were detected，of which 43 were common to six groups of data. There were significant differences in the content of volatile components of Scorpions in different oxidation time periods，with aldehydes being the highest，with an average content of 101.33 mg·kg^-1，accounting for 54.45%，followed by acids，with an average content of 52.01 mg·kg^-1，accounting for 27.95%. With the prolongation of the oxidation time，the Scorpion appeared to have a rancid flavor，when oxidized for 50 d，a heavy rancid flavor appeared；at the same time，the content of volatile components of all categories showed an increasing trend，among which the content of heptanal，nonanal，n-octanal，2-butyl-2-octenal，4-oxo-2-nonenal，hexanoic acid and 2-n-pentylfuran increased significantly，with an increase of multiples of 4 times to 44 times. Through principal component analysis，three principal components were screened out with eigenvalues above 1 value，among which the eigenvalue of principal component 1 was 40.451，and the contribution rate of that reached a 79.32%，the main influencing factors included aldehydes，acids and furans. Six groups of samples were divided into four categories by cluster analysis，which was consistent with the results of sensory evaluation.

Seven volatile components，heptanal，nonanal，n-octanal，2-butyl-2-octenal，4-oxo-2-nonenal，hexanoic acid，and 2-n-pentylfuran，are the main substances in the production of rancid flavor of Scorpion. This experiment provides a new technology and new method for the development of simple and precise monitoring of the oxidative rancidity process of Scorpion，and to provide a research basis for the improvement of Scorpion quality standard.

To establish an HPLC-principal component self-compare with correction factor method for quantification of two related substances (N-deacetyllappaconitine and ranaconitine) in lappaconitine hydrobromide injection.

The analysis was performed on a Kromasil 300-5-C₁₈ (250 mm×4.6 mm，5 μm) column with a mobile phase composed of 0.04 mol·L^-1 potassium dihydrogen phosphate solution，methanol and acetonitrile (68:17:15). The detection wavelength was 252 nm，the flow rate was 0.8 mL·min^-1，the column temperature was 37 ℃，and the injection volume was 10 μL. The slope of linear equation was used to determine the relative correction factor between the two impurities and lappaconitine hydrobromide. The relative retention time was used to determine the position of related substances. The contents of two impurities in 25 batches of lappaconitine hydrobromide injection produced by four pharmaceutical companies were determined and compared with the results of the external standard method.

Lappaconitine hydrobromide and the impurities were separated well by this method. The relative retention time of N-deacetyllappaconitine and ranaconitine were 1.20 and 1.39，and the correction factors were 1.23 and 0.94，respectively. Lappaconitine hydrobromide，N-deacetyllappaconitine and ranaconitine showed good linearity in the mass concentration ranges of 0.951 7-38.07 μg·mL^-1，1.047-41.87 μg·mL^-1 and 1.001-40.02 μg·mL^-1 with r=1.000，respectively. The average recovery rates of lappaconitine hydrobromide，N-deacetyllappaconitine and ranaconitine were 100.2%，100.5% and 100.5% respectively，with RSD less than 2.0%. The limits of detection (LOD) of lappaconitine hydrobromide，N-deacetyllappaconitine and ranaconitine were 0.095，0.10，0.10 μg·mL^-1 and the limits of quantitation (LOQ) were 0.32，0.35 and 0.33 μg·mL^-1，respectively. The content of N-deacetyllappaconitine in 25 batches of lappaconitine hydrobromide injection was in the range of 0.31%-0.82% and the content of ranaconitine was in the range of 0%-0.09%. It was consistent with the determination result of the external standard method.

The method is proved to be simple，rapid，and accurate for the determination of related substances in lappaconitine hydrobromide injection.

To establish the HPLC characteristic chromatogram for Gujing Maisiha tablets，and evaluate the quality using chemical pattern recognition.

The Welch Xtimate C₁₈ column (250 mm × 4.6 mm, 5 μm) was used and the mobile phases were acetonitrile (A) and 0.1% formic acid (B) in gradient elution (0-10 min，5%A→15%A；10-20 min，15%A；20-40 min，15%A→40%A；40-65 min，40%A→70%A；65-66 min，70%A→90%A；66-80 min，90%A；80-81 min，90%A→5%A；81-85 min，5%A). The detection wavelength was 254 nm. The column temperature was 35 ℃ and the flow rate was 1.0 mL·min^-1. Gujing Maisiha tablets were analyzed to construct characteristic chromatogram. The quality of Gujing Maisiha tablets was assessed through similarity evaluation，cluster analysis，principal component analysis (PCA)，and partial least squares discriminant analysis (PLS-DA).

The characteristic chromatogram of Gujing Maisiha tablets was established，which contained the twenty-eight distinct peaks，and seven compounds identified as gallic acid，chlorogenic acid，picrocrocin，isoquercitrin，crocin-Ⅰ，crocin-Ⅱ，eugenol. The similarities for the ten batches of Gujing Maisiha tablets were more than 0.98，with no significant difference observed. Cluster analysis segregated the samples into two distinct groups according to the Euclidean distance of 10，which was consistent with the results of PCA analysis. PLS-DA analysis screened out five components from Flos Caryophylli，Rosae Rugosae Flos，Olibanum that may cause differences between samples.

The method of HPLC characteristic chromatogram of Gujing Maisiha tablets is effective，feasible and reproducible，which can provide reference for the study of quality standard of this product.

To establish a quantitative model to in-line in situ determination of the water content of domperidone tablets particles in fluidized bed granulation drying process.

Using micro near infrared spectrometer，in-line collected near infrared（NIR） spectrum of domperidone tablets particles in granulation drying process，took sample at different drying time to acquire sample in different level of water content. The pretreatment method of first derivative（FD），multiplicative scatter correction (MSC) and Savitzky-Golay smoothing were selected. The modeling band was 1 100-1 600 nm，model was established by partial least square（PLS） method，and validation was executed including accuracy，precision，specificity，linearity and range，robustness.

The root mean square error of cross validation(RMSECV) was 0.079 7，the coefficient of determination(R²) was 0. 994 5，the root mean square error of prediction(RMSEP) was 0.092 3，the R² was 0.986 0. All validation results met predefined criteria.

It is feasible for using micro NIR spectrometer to in-line measure the water content of domperidone tablets particles which provides an experimental basis for the in-line application of process analysis technology in pharmaceutical industry.

To optimize the extraction process of Impatientis Balsaminae Caulis in the treatment of degenerative osteoarthritis based on network pharmacology，mixture weighting and response surface method.

Network pharmacology and LC-MS techniques were used to determine the active ingredients of Impatientis Balsaminae Caulis in the treatment of osteoarthritis，and they were taken as evaluation indexes. The extraction process of Impatientis Balsaminae Caulis was optimized by analytic hierarchy process（AHP）-criteria importance through intercriteria correlation(CRITIC) mixed weighting method and Box-Behnken response surface design.

Scopoletin，quercetin and kaempferol were the active ingredients in the treatment of osteoarthritis. The optimal extraction process was to add 5 times of 82% ethanol and reflux twice，35 min each time.

The treatment of osteoarthritis can be achieved by regulating target genes and related signaling pathways through various active components. The weight coefficient determined by AHP-CRITIC hybrid weighting method is objective and reasonable，and the optimized extraction process is stable and feasible.

To establish a laser diffraction method for the determination of particle size distribution of budesonide suspension for inhalation.

The Master sizer 3000 laser size analyzer with the Hydro SV wet sampler was used. The sample solution should be immediately measured after ultrasonication. The measurement conditions were as follows：refractive index of budesonide was 1.592，absorbency of budesonide was 0.01，dispersing medium was saturated solution of budesonide containing 0.5% Tween 80 with refractive index of 1.33，stirring rate was 1 000 r·min^-1，and laser obscurations were 6%-12%.

RSD of D₅₀ was lower than 2%，RSDs of D₁₀ and D₉₀ were both lower than 5%．The particle size distribution D₉₀ values of 3 batches of budesonide suspension for inhalation were less than 5 μm.

The method is simple，accurate and producible，which is suitable for the particle size detection of budesonide suspension for inhalation.

To establish a method for the determination of 17 kinds of anti-allergic compounds in medical cold compress by solid phase extraction-ultra performance liquid chromatography-tandem mass spectrometry（SPE-UPLC-MS/MS）. Common medical cold compress matrices were suitable for this new method.

Three pretreatment methods were compared：prime pass-through column purification，SPE purification including HLB and MCX solid-phase extraction. The pretreatment was optimized by focusing on the kind of solid-phase extraction，the type and volume of elution solvents. The analytes were extracted using methanol and then mixed with water at the ratio of 1:9 in volume，purified with an Agilent Bond Elut HLB column. Waters ACQUITY UPLC BEH C₁₈（100 mm×2.1 mm，1.8 μm）column was used with 0.1% formic acid(with 0.5 mmol·L^-1 ammonium acetate)-acetonitrile as mobile phases by gradient elution for separating 17 compounds. Detection was carried out by positive and negative electrospray ionization（ESI）mass spectrometer in multiple reaction monitor (MRM) mode.

All the 17 kinds of compounds showed good linearity in their reasonable ranges（r）>0.99，the limit of detection （LOD） and quantification（LOQ）were 0.01-13.32 μg·g^-1 and 0.02-26.64 μg·g^-1，respectively. The average recoveries of at three spiked levels were in range of 77.7%-108.5%，with RSDs （n=6） were 0.62%-4.7%. The content range of diclofenac sodium in positive samples was 0.09-27.55 mg per tablet.

The method is simple，sensitive and reliable，and is suitable for determination of 17 illegally add chemical drugs in medical cold compress. Moreover，the method might provide technological support for the detection of illegal additions in medical cold compress.