{"title":"Odor-Chemical Correlation-Based Quality Evaluation of Atractylodes macrocephala via Electronic Nose, HPLC, and Machine Learning","authors":"Huiqin Ding, Lijiao Tong, Qi Huang, Xinbo Wang, Qianyi Ying, Anting Ma, Te Xiao, Mengjing Chen","doi":"10.1002/bmc.70212","DOIUrl":"10.1002/bmc.70212","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Atractylodis Macrocephalae</i> Rhizoma (AMR) is a kind of traditional Chinese medicine, with the variety from Yuqian, Lin'an District, Hangzhou, considered the highest quality and termed <i>Atractylodes macrocephalacy</i> Yuzhu (AMY). This study examined the relationship between AMR's “scent indicates quality” principle and its chemical composition. Oil chamber analysis showed Lin'an samples had the highest density and largest chamber size. The electronic nose and machine learning analysis of 17 batches of AMR indicate that aromatic components, organic sulfides, inorganic sulfide, methane (methyl), and alkane hydrocarbon are important features, and SHAP analysis shows that the contribution of aromatic components, organic sulfides is 0.46. The results of HPLC and machine learning analysis showed that Atractylon was the most important for distinguishing AMR and AMY, with a contribution of 0.96. Six machine learning models were used to distinguish AMR and AMY, and the results showed that the accuracy of the models was high. The correlation analysis results showed that W2W had the highest correlation with Atractylon at 0.86.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144929863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Diweng Zhixie Power Ameliorates Dampness-Heat Diarrhea by Restoring Intestinal Microbiota Dysbiosis and Short-Chain Fatty Acids","authors":"Xia Song, Wen-wen Mi, Hao Zhang, Peng Ji, Wan-Ling Yao, Yan-Ming Wei, Yong-Li Hua","doi":"10.1002/bmc.70210","DOIUrl":"10.1002/bmc.70210","url":null,"abstract":"<div>\u0000 \u0000 <p>Current therapeutics for diarrhea have limitations. Classical Formula Diweng Zhixie power (DW) is derived from <i>Shang Han Lun</i> and has a long history of treating gastrointestinal diseases such as diarrhea. Nevertheless, the exact mechanism of it needs to be further clarified. We aimed to investigate the treatment effect of DW on dampness-heat diarrhea in rats. HPLC quantified the bioactive components. Rats were assessed for weight, temperature, water intake, and diarrhea severity. Inflammation markers and protein pathways were analyzed via ELISA and Western blot. GC–MS measured cecal SCFAs, while 16S rRNA sequencing evaluated gut microbiota. The contents of esculin, jatrorrhizine, palmatine, berberine, esculetin, gallic acid, catechin, and anemoside B4 in DW were 0.134%, 0.165%, 0.046%, 0.30%, 0.099%, 0.309%, 0.312%, and 0.870%, respectively. DW alleviated dampness-heat diarrhea in rats and restored the intestinal microbiota dysbiosis. Furthermore, DW efficiently suppressed the abnormal inflammatory response and reduced the severity of pathological damage, restored the level of inflammatory factors, increased the expression of G-coupled protein and the content of SCFAs in the model group. The mechanisms by which DW protects against dampness-heat diarrhea may involve restoring goblet cell function, repairing intestinal microbiota dysbiosis, and modulating the inflammatory response, with GPCRs acting a critical role in the antidiarrhea effect of DW.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144929864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"In Silico Assessment and Quantitative Estimation of Potential Toxic Impurities From Propafenone (PFN) Through Generic Route and Using UPLC-MS/MS Technique","authors":"Nishtala Venkata Bharat, Mamidala Srikanth, Babji Palakeeti, Sambandan Elumalai","doi":"10.1002/bmc.70208","DOIUrl":"10.1002/bmc.70208","url":null,"abstract":"<div>\u0000 \u0000 <p>The generic and most probable synthetic route for the preparation of propafenone (PFN) has been evaluated, common toxic impurities have been identified, their in silico toxicity has been assessed, and novel UPLC-MS/MS method was developed for the identification and quantification of five potential toxic impurities (PGIs) in the active pharmaceutical ingredients of PFN, a Class 1C antiarrhythmic agent. Five PGIs were identified for this study, namely 1-2-3-amino impurity, 1-2-2-hydroxy impurity, 1-2-oxiran impurity, propafenone, EP-Impurity-C, and EP-Impurity-E and were validated following the International Conference of Harmonization (ICH) guidelines, this methodology is capable of quantifying five PGIs at 1.6 ppm with a sample concentration of 20 mg/mL. This validated approach presented very low LOD and LOQ limits (0.08–0.2 ppm), excellent linearity (coefficients > 0.9944), and a satisfactory recovery range (88.1%–102.8%). The method was sufficient in terms of sensitivity, linearity, precision, accuracy, selectivity, and robustness, and marketed samples analysis also proved that the method could directly apply for the PFN drug substance of real-time sample testing.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144927291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Establishment of HPLC Fingerprint of Different Drying Methods of Salvia miltiorrhiza and Study on Spectrum Effect Relationship","authors":"Yishuo Wang, Qinrong Liu, Hongwei Zhang, Ruisheng Wang, Tianxin Zhu","doi":"10.1002/bmc.70206","DOIUrl":"10.1002/bmc.70206","url":null,"abstract":"<div>\u0000 \u0000 <p>To study the spectrum–effect relationship between antioxidant activity and HPLC fingerprint of <i>Salvia miltiorrhiza</i> with different drying methods. The fingerprints of 21 batches of <i>S. miltiorrhiza</i> dried by different drying methods were examined by HPLC, and the common peaks were identified by comparison with the control chromatogram. Among the 21 batches of dried <i>S. miltiorrhiza</i> samples, there were 15 common peaks with a similarity greater than 0.971; a total of eight components were identified, which are Danshensu, Rosmarinic acid, Lithospermic acid, Salvianolic acid B, Dihydrotanshinone, Cryptotanshinone, Tanshinone I, and Tanshinone II<sub>A</sub>. Different drying methods affect the content of chemical components and antioxidant capacity of <i>S. miltiorrhiza</i>, among which the freeze-drying sample has strong antioxidant activity. Among them, freeze-drying exhibits strong antioxidant activity. This experiment successfully established the fingerprint spectrum of <i>S. miltiorrhiza</i> and its antioxidant activity-spectrum relationship. Phenolic acids may be the material basis for the antioxidant effects of different dried products of <i>S. miltiorrhiza</i>, which can provide a reference for the research on the pharmacological material basis and quality control of <i>S. miltiorrhiza</i>.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144927282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Detoxication Strategy of Aflatoxins in Coix Seed Based on Stir-Frying Processing and LC–ESI–MS/MS Quantification","authors":"Yongsong Zhai, Chujun Tao, Keyu Zhang, Feng Qiu","doi":"10.1002/bmc.70213","DOIUrl":"10.1002/bmc.70213","url":null,"abstract":"<div>\u0000 \u0000 <p>Coix seed is easy to be contaminated with aflatoxins. To find out its detoxification strategy and explore its storage environment affecting the contents of AFB<sub>1</sub>, AFB<sub>2</sub>, AFG<sub>1</sub>, and AFG<sub>2</sub>, 23 batches of coix seed samples were collected, in which nine batches of samples were selected to make mildewed by the method of artificial cultivation and natural mycotoxin production. These coix seed samples were further processed with plain-frying and bran-frying, respectively. Commercial coix seed samples had a high probability of containing AFTs with a detection rate of 87.0% and a rejection rate of 30.4%. The contents of AFTs in coix seed samples could be significantly decreased by both plain-frying and bran-frying processing. Compared with plain-frying, bran-frying processing can reduce the contents of AFTs in coix seed more effectively. Therefore, promoting the use of bran-frying processing will help reduce mycotoxin pollution in the food.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144927290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yiyao Zhang, Guangyun Zhang, Fen Yang, Zhikang Zou
{"title":"Development of Mobile-Phase Buffers and Evaluation of Analytical Performance for HbA1c Assays","authors":"Yiyao Zhang, Guangyun Zhang, Fen Yang, Zhikang Zou","doi":"10.1002/bmc.70136","DOIUrl":"10.1002/bmc.70136","url":null,"abstract":"<div>\u0000 \u0000 <p>Hemoglobin A<sub>1c</sub> (HbA<sub>1c</sub>) plays a role in the diagnosis and assessment of glycemic control in patients with diabetes. However, few studies have focused on the preparation methods and analytical performance evaluation of different formulations of mobile-phase buffers for HbA<sub>1c</sub> assays. In this study, mobile-phase buffers of new formulations were prepared for the measurement of HbA<sub>1c</sub>. Following the Clinical and Laboratory Standards Institute (CLSI) guidelines, the analytical performance of newly developed mobile-phase buffers was evaluated. The CVs of the intra- and inter-assay precision were less than 0.94%, the RDs of accuracy were less than ± 3.00%, and the carryover was 0.00%. The measured HbA<sub>1c</sub> values were linear from 4.50% to 16.80% (26.00–160.00 mmol/mol). A comparison of newly developed and commercial mobile-phase buffers revealed that the <i>Pearson</i> regression equation was <i>Y</i> = 0.9862<i>x</i> + 0.0888 (<i>R</i><sup>2</sup> = 0.9990), and the Bland–Altman mean difference between the two mobile-phase buffers was −0.02833% (95% CI: −0.1853% to 0.1278%). The chromatography column had a lifetime of over 7000 tests. The reference interval was 4.30%–6.30% (23.00–45.00 mmol/mol). Stability was acceptable within 24 months. The newly developed mobile-phase buffers demonstrated good analytical performance (i.e., precision, linearity, accuracy, carryover, reference interval, the number of chromatography column runs, and stability).</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144918709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Heng Fang, Guangli Yan, Le Yang, Ling Kong, Ye Sun, Hui Sun, Biwei Bai, YingHan, Hongwei Song, Xijun Wang
{"title":"Metabolic Mechanism of Qizhi Capsule for Treating Hyperlipoidemia Based on Chinmedomics Strategy","authors":"Heng Fang, Guangli Yan, Le Yang, Ling Kong, Ye Sun, Hui Sun, Biwei Bai, YingHan, Hongwei Song, Xijun Wang","doi":"10.1002/bmc.70192","DOIUrl":"10.1002/bmc.70192","url":null,"abstract":"<div>\u0000 \u0000 <p>To elucidate the active ingredients, and mechanism of action of Qizhi Capsules (QZC), a traditional Chinese patent medicine for the treatment of hyperlipidemia (HP). A high-fat diet-induced HP rat model was used to evaluate the therapeutic effect of QZC. Then, we integrated metabolomics, serum pharmacochemistry, network pharmacology, and molecular docking strategies for investigation. Results showed that QZC significantly alleviated the physiological symptoms of HP, with remarkable restoration of the levels of cholesterol, triglycerides, low-density lipoprotein, and high-density lipoprotein. It can also reverse pathological changes in liver function to healthy levels. Besides, metabolomic analysis identified 24 metabolites as biomarkers which are highly related to HP. All the markers were settled back to normal with the intervention of QZC. Seventy-seven compounds originated from QZC were found in blood; 17 of them were highly related to the trajectory change of biomarkers of HP. These compounds were the potential effective constituents related to its clinical efficacy, such as Emodin et al. These ingredients regulated the biomarker farnesol to target Farnesoid X receptor (FXR) involved in cholesterol and triglyceride metabolism with HP. QZC possesses a favorable efficacy on HP; the core mechanism may activate FXR by modulating farnesol with multiple components, thereby reversing the metabolism of HP.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144914980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Validation of a Dried Blood Spot Method for the Determination of a Third-Generation Bcr-Abl 1 Inhibitor, Vodobatinib, in Small Volumes of Rat Blood: Application to a Pharmacokinetic Study","authors":"Ashok Zakkula, Keerthana Madipelli, Niranjan Veerla, Rama Murthi Bestha, Sandeep Kaddare, Sreekanth Dittakavi, Ramesh Mullangi","doi":"10.1002/bmc.70204","DOIUrl":"10.1002/bmc.70204","url":null,"abstract":"<div>\u0000 \u0000 <p>Vodobatinib is a third-generation Bcr-Abl 1 inhibitor, being used in chronic myeloid leukemia treatment. Herein, we report a validated LC–MS/MS method for quantifying vodobatinib from rat dried blood spot (DBS) as per FDA guidelines. Methanol was used as a solvent to extract vodobatinib from the DBS discs. We used an isocratic method with a flow rate of 0.80 mL/min in an Atlantis dC<sub>18</sub> (50 <b>×</b> 4.6 mm, 3.0 μm) column with a 2.00 min run time. The retention of vodobatinib and the I.S. was ~1.15 and 1.05 min. The MS/MS ion transitions monitored for vodobatinib and I.S. were m/z 454.20 → 270.05 and 309.15 → 251.15, respectively. The linearity range was 1.04–1039 ng/mL. All the evaluated validation parameters met the acceptance criteria. Hematocrit levels of 35% and 50% yielded consistent concentrations at both low and high QC levels, with accuracy of 1.00%–1.03% and precision below 10%, indicating no hematocrit effect. For intravenous dosing, AUC<sub>0–∞</sub> was 9475 ng·h/mL (DBS) versus 10,109 ng·h/mL (plasma), and for oral dosing, <i>C</i><sub>max</sub> values were 568 ng/mL (DBS) versus 544 ng/mL (plasma). Oral bioavailability was nearly identical between matrices (98.7% for DBS vs. 97.9% for plasma), confirming the reliability of DBS sampling for PK studies of vodobatinib.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144910253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Dissipation Kinetics, Risk Assessment, and Decontamination Studies of Pyridalyl in Cabbage by GC–MS/MS","authors":"Harshdeep Singh, Balpreet Kaur Kang, Smriti Sharma, Neeraj Sharma","doi":"10.1002/bmc.70202","DOIUrl":"10.1002/bmc.70202","url":null,"abstract":"<div>\u0000 \u0000 <p>Dissipation behavior of pyridalyl was determined on cabbage crop following two applications of pyridalyl @ 50 (X), 62.5 (1.25X), and 100 g a.i. ha<sup>−1</sup> (2X). QuEChERS method along with gas chromatography–mass spectrometry/mass spectrometry technique was used for the quantification of pyridalyl residues. Mean initial deposits were found to be 0.49, 0.60, and 1.12 mg kg<sup>−1</sup> at X, 1.25X, and 2X doses on cabbage heads, and the residues reached below the limit of quantification (LOQ) of 0.01 mg kg<sup>−1</sup> after 15th, 15th, and 20th days at the three doses, respectively. Mean initial deposit in soil was 0.11, 0.13, and 0.24 mg kg<sup>−1</sup>, which reached below LOQ on 7th to 15th days at all the doses. Half-life value of pyridalyl in cabbage was calculated to be 1.88, 2.48, and 2.58 days at single, 1.25X, and double dosages, respectively. Among various household processing methods, 2% NaCl solution along with boiling was highly effective in reducing the residue of pyridalyl up to 83.38%–86.12% in cabbage. Risk assessment done by calculating hazard quotient shows that the application of pyridalyl @ 50 and 100 g a.i. ha<sup>−1</sup> is acceptable for consumption.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144910473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yue Jiang, Qingping Xiong, Xinyi Zhu, Miao Hou, Zhipeng Deng
{"title":"Metabolic Profiling of 5-Methoxypinocembroside and Pharmacokinetics Study of Its Major Metabolite Alpinetin in Rat Plasma by UHPLC–MS","authors":"Yue Jiang, Qingping Xiong, Xinyi Zhu, Miao Hou, Zhipeng Deng","doi":"10.1002/bmc.70200","DOIUrl":"10.1002/bmc.70200","url":null,"abstract":"<div>\u0000 \u0000 <p>5-Methoxypinocembroside (5-MP), a key bioactive compound isolated from <i>Penthrum chinense</i> Pursh (PCP), has demonstrated a specific pharmacological effect against hepatic steatosis. However, its metabolism and pharmacokinetics remain unexplored. In this study, rats were administered 5-MP intragastrically at a dose of 25 mg/kg, and blood samples were collected and processed for analysis. Ultra-high-performance liquid chromatography–mass spectrometry (UHPLC–MS) was employed to identify plasma metabolites of 5-MP, and its pharmacokinetics in rats were further evaluated. A total of 20 metabolites were characterized, including those formed via demethylation, sulfation, and deglycosylation. Among these, the aglycone alpinetin (ALP) was identified as the predominant metabolite of 5-MP. The pharmacokinetic analysis of ALP revealed a maximum plasma concentration (<i>C</i><sub>max</sub>) of 70.7 ± 44.4 ng/mL, with a peak time (<i>T</i><sub>max</sub>) of 0.4 ± 0.5 h. The area under the concentration–time curve from zero to the last measurable concentration (AUC<sub>0 − <i>t</i></sub>) was 266.7 ± 146.2 μg/L·h. This study is the first to elucidate the metabolic profile of 5-MP in rats and to characterize the pharmacokinetics of ALP as its primary metabolite.</p>\u0000 </div>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":"39 10","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144897407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}