1.A novel approach to assessing quality issues and component annotation in TCM prescription: Insights from 100 common TCM products.
Huiting OU ; Chunxiang LIU ; Saiyi YE ; Lin YANG ; Qirui BI ; Wenlong WEI ; Hua QU ; Yaling AN ; Jianqing ZHANG ; De-An GUO
Journal of Pharmaceutical Analysis 2025;15(10):101332-101332
The quality of traditional Chinese medicine (TCM) prescriptions (TCMPs) is critical to clinical efficacy; however, evaluating their consistency and identifying sources of variability remain challenging. This study proposes an integrated strategy to assess the quality of 100 widely sold TCMPs. A "one-for-all" chromatographic method was employed to analyze 645 sample batches. This large-scale data collection enabled statistical evaluations, such as hierarchical cluster analysis (HCA) and similarity heatmap, to identify quality inconsistencies. The introduction of a TCM-specific mass spectrometry (MS) database allowed for rapid, automated annotation of chemicals across 100 prescriptions and facilitated the tracing of raw material sources. Results indicate that 19% of prescriptions exhibited chemical inconsistencies, which are associated with high market value, low pricing, and substantial price disparities. The MS database allowed rapid annotation of 761 and 673 compounds in positive and negative modes, respectively, in 100 TCMPs, with 73 prescriptions reported for the first time. The tracing efforts succeeded in identifying >40% of the raw material sources for 51 prescriptions. P93 (Yinianjin (YNJ)) is a case in which the chromatographic profiles from three manufacturers displayed inconsistencies. Analysis using the database traced divergent peaks to Rhei Radix et R hizoma (RRER). Verification with self-prepared samples confirmed that manufacturers utilized three distinct botanical sources. This integrated strategy provides a scalable framework for quality control in TCMPs.
2.Profiling the chemical differences of diterpenoid alkaloids in different processed products of Aconiti Lateralis Radix Praeparata by UHPLC-LTQ-Orbitrap mass spectrometry combined with untargeted metabolomics and mass spectrometry imaging.
Yang YU ; Changliang YAO ; Jianqing ZHANG ; Yong HUANG ; Shuai YAO ; Hua QU ; Tong ZHANG ; Dean GUO
Chinese Journal of Natural Medicines (English Ed.) 2025;23(8):1009-1015
Aconiti Lateralis Radix Praeparata (Fuzi) represents a significant traditional Chinese medicine (TCM) that exhibits both notable pharmacological effects and toxicity. Various processing methods are implemented to reduce the toxicity of raw Fuzi by modifying its toxic and effective components, primarily diterpenoid alkaloids. To comprehensively analyze the chemical variations between different Fuzi products, ultra-high performance liquid chromatography-linear ion trap quadrupole Orbitrap mass spectrometry (UHPLC-LTQ-Orbitrap MS) was employed to systematically characterize Shengfuzi, Heishunpian and Baifupian. A total of 249 diterpenoid alkaloids present in Shengfuzi were identified, while only 111 and 61 in Heishunpian and Baifupian were detected respectively, indicating substantial differences among these products. An untargeted metabolomics approach combined with multivariate statistical analysis revealed 42 potential chemical markers. Through subsequent validation using 52 batches of commercial Heishunpian and Baifupian samples, 8 robust markers distinguishing these products were identified, including AC1-propanoic acid-3OH, HE-glucoside, HE-hydroxyvaleric acid-2OH, dihydrosphingosine, N-dodecoxycarbonylvaline and three unknown compounds. Additionally, the MS imaging (MSI) technique was utilized to visualize the spatial distribution of chemical constituents in raw Fuzi, revealing how different processing procedures affect the chemical variations between Heishunpian and Baifupian. The distribution patterns of different diterpenoid alkaloid subtypes partially explained the chemical differences among products. This research provides valuable insights into the material basis for future investigations of different Fuzi products.
Diterpenes/chemistry*
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Alkaloids/chemistry*
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Chromatography, High Pressure Liquid/methods*
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Aconitum/chemistry*
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Drugs, Chinese Herbal/chemistry*
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Metabolomics
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Mass Spectrometry/methods*
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Plant Roots/chemistry*
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Molecular Structure
3.Clinicopathological and molecular characteristics of pediatric gliomas: analysis of 111 cases
Hui XU ; Huilin NIU ; Fenghua WANG ; Xinke XU ; Wei WANG ; Li YUAN ; Kai CHEN ; Qiu GAO ; Liping LI ; Jianqing XIA ; Zhongming GUO
Chinese Journal of Pathology 2024;53(9):922-928
Objective:To summarize the clinical, pathological and molecular characteristics of various types of pediatric glioma, and to explore the differences in the morphology and clinical significance among various types of pediatric glioma.Methods:Based on the fifth edition of the World Health Organization classification of central nervous system tumors, this study classified or reclassified 111 pediatric gliomas that were diagnosed at Guangzhou Medical University Affiliated Women and Children′s Medical Center from January 2020 to June 2023. The clinical manifestations, imaging findings, histopathology, and molecular characteristics of these tumors were analyzed. Relevant literature was also reviewed.Results:The 111 patients with pediatric glioma included 56 males and 55 females, with the age ranging from 10 days to 13 years (average age, 5.5 years). Clinically, manifestations presented from 5 days to 8 years before the diagnosis, including epilepsy in 16 cases, increased intracranial pressure in 48 cases and neurological impairment in 66 cases. MRI examinations revealed tumor locations as supratentorial in 43 cases, infratentorial in 65 cases, and spinal cord in 3 cases. There were 73 cases presented with a solid mass and 38 cases with cystic-solid lesions. The largest tumor diameter ranged from 1.4 to 10.6 cm. Among the 111 pediatric gliomas, there were 6 cases of pediatric diffuse low-grade glioma (pDLGG), 63 cases of circumscribed astrocytoma glioma (CAG), and 42 cases of pediatric diffuse high-grade glioma (pDHGG). Patients with pDLGG and CAG were younger than those with pDHGG. The incidence of pDLGG and CAG was significantly lower in the midline of the infratentorial region compared to that of pDHGG. They were more likely to be completely resected surgically. The pDLGG and CAG group included 4 cases of pleomorphic xanthoastrocytoma, showing histological features of high-grade gliomas. Among the high-grade gliomas, 13 cases were diffuse midline gliomas and also showed histological features of low-grade glioma. Immunohistochemical studies of H3K27M, H3K27ME3, p53, ATRX, BRAF V600E, and Ki-67 showed significant differences between the pDLGG and CAG group versus the pDHGG group ( P<0.01). Molecular testing revealed that common molecular variations in the pDLGG and CAG group were KIAA1549-BRAF fusion and BRAF V600E mutation, while the pDHGG group frequently exhibited mutations in HIST1H3B and H3F3A genes, 1q amplification, and TP53 gene mutations. With integrated molecular testing, 2 pathological diagnoses were revised, and the pathological subtypes of 35.3% (12/34) of the pediatric gliomas that could not be reliably classified by histology were successfully classified. Conclusions:There are significant differences in clinical manifestations, pathological characteristics, molecular variations, and prognosis between the pDLGG, CAG and pDHGG groups. The integrated diagnosis combining histology and molecular features is of great importance for the accurate diagnosis and treatment of pediatric gliomas.
4.Characterization of natural peptides in Pheretima by integrating proteogenomics and label-free peptidomics
Xiaoxiao LUO ; Qirui BI ; Dongdong HUANG ; Yun LI ; Changliang YAO ; Jianqing ZHANG ; Wenlong WEI ; Jiayuan LI ; Zhenwei LI ; Jingxian ZHANG ; Shen JI ; Yurong WANG ; De-An GUO
Journal of Pharmaceutical Analysis 2023;13(9):1070-1079
Pheretima,also called"earthworms",is a well-known animal-derived traditional Chinese medicine that is extensively used in over 50 Chinese patent medicines(CPMs)in Chinese Pharmacopoeia(2020 edi-tion).However,its zoological origin is unclear,both in the herbal market and CPMs.In this study,a strategy for integrating in-house annotated protein databases constructed from close evolutionary relationship-sourced RNA sequencing data from public archival resources and various sequencing al-gorithms(restricted search,open search,and de novo)was developed to characterize the phenotype of natural peptides of three major commercial species of Pheretima,including Pheretima aspergillum(PA),Pheretima vulgaris(PV),and Metaphire magna(MM).We identified 10,477 natural peptides in the PA,7,451 in PV,and 5,896 in MM samples.Five specific signature peptides were screened and then validated using synthetic peptides;these demonstrated robust specificity for the authentication of PA,PV,and MM.Finally,all marker peptides were successfully applied to identify the zoological origins of Brain Heart capsules and Xiaohuoluo pills,revealing the inconsistent Pheretima species used in these CPMs.In conclusion,our integrated strategy could be used for the in-depth characterization of natural peptides of other animal-derived traditional Chinese medicines,especially non-model species with poorly annotated protein databases.
5.Systematic screening and structural characterization of dipeptides using offline 2D LC-LTQ-Orbitrap MS:A case study of Cordyceps sinensis
Xiaodie LI ; Changliang YAO ; Yun LI ; Zhengming QIAN ; Wenlong WEI ; Jianqing ZHANG ; Jiayuan LI ; Qirui BI ; Wenjia LI ; Yajun CUI ; De-An GUO
Journal of Pharmaceutical Analysis 2022;12(2):263-269
Cordyceps sinensis(C.sinensis)is a widely used and highly valuable traditional Chinese medicine.Several dipeptides have been detected in C.sinensis,but current scientific knowledge of its chemical makeup remains limited.In this study,an improved approach that integrates offline two-dimensional liquid chromatography(2D LC)separation,precursor ion list,library screening,and diagnostic ion filtering was established to systematically screen and characterize dipeptides in C.sinensis.Offline 2D LC integrating hydrophilic interaction LC and reverse phase separations was established to eliminate interference and identify the target dipeptides.A library containing the potential 400 dipeptides was created,and a precursor ion list with all theoretical precursor ions was adopted to trigger the MS/MS scan with high sensitivity.To identify dipeptides,the type and connection sequence of amino acids were determined according to the product ions.Ile and Leu residues were differentiated for the first time according to the characteristic ion at m/z 69.07.Ultimately,170 dipeptides were identified or tentatively characterized from C.sinensis,and most are reported for the first time in this species herein.In addition,the identified dipeptides were also applied for discrimination among the three Cordyceps species,and 11 markers were identified.The obtained results provide a deeper understanding of the chemical basis of C.sinensis.
6.Procedure and teaching verses of supraclavicular subclavian catheterization
Pingqing GUO ; Yilong WU ; Siming LIN ; Lei CHEN ; Congjuan LIN ; Xide CHEN ; Jianqing ZHENG ; Guangwei ZHENG ; Shaodan FENG ; Zhenlyu LIN ; Zhihong LIN
Chinese Critical Care Medicine 2021;33(6):755-756
In order to improve the success rate of supraclavicular deep venous catheterization and reduce mechanical complications, we present an auxillary maneuver in regard to supraclavicular subclavian catheterization basing on the relatively fixed anatomy of subclavian vein and its adjacent surroundings, furthermore, we revised the standardized procedure of supraclavicular subclavian catheterization. The maneuver is summarized in the shape of verses (verses: thumb navigation is well designed according to anatomy. Needle penetrated into vein should be parallel to coronal plane. Fine needle in position should be immobilized. Is it difficult for parallel puncture? Pressure determination is required when needle is in place. It is critical to distinguish which vessel has been inserted. Guidewire is advanced smoothly. Check blood return after expansion of skin and catheterization.). For teaching convenience, verses are considered to be more concise and memorable, as well as applicable to clinical practice, in order to provide some help for clinical teaching.
7.Analysis of related factors for clinical characteristics and the outcome in centenarian hospitalized patients
Yu WANG ; Weiwei SONG ; Xiaoli CHEN ; Zhiyong WANG ; Jian DAI ; Xiaojun OUYANG ; Lili LIU ; Yu LIU ; Peng ZHANG ; Zhaoling GUO ; Yunyan WEI ; Jihai CHEN ; Weiwei YUAN ; Weihong ZHAO ; Jianqing WU ; Wei XU
Chinese Journal of Geriatrics 2019;38(1):4-9
Objective To investigate the health status of centenarian hospitalized patients and analyze the risk factors for in-hospital death in Nanjing district.Methods All centenarians hospitalized patients who were discharged from wards of 10 upper first-class general hospitals in Nanjing district during the past five years were retrieved from their hospital information systems.Then,a retrospective study was performed on centenarians' data of general information,laboratory test results,Charlson comorbidity index (CCI),neutrophil to lymphocyte ratio (NLR) and shock index(SI),etc.were calculated and collected.Relevant risk factors for in-hospital death were analyzed by multivariate logistic regression analysis.Results A total of 156 patients aged 100 years and over,with an average age of (101.0±2.1)years,were enrolled during the past 5 years.The top 3 admitting diagnosis for the patients were pulmonary infection(30.1%,47/156 cases),coronary heart disease(10.9%,17/156 cases)and cerebrovascular disease(7.1%,11/156 cases).Fifty patients died during hospitalization,with a mortality of 32.1% (50/156).Pneumonia was the most common admitting diagnosis(40.0%,20/50 case).Among causes of death,the combined admitting diagnosis with dementia,chronic renal insufficiency,one or more basic disease were significantly associated with death.There were statistically significant differences between bad vs.good vs.indifferent prognosis in heart rate,shock index,leukocyte count,neutrophil count,NLR,hemoglobin,albumin,albumin/globulin,fasting blood glucose,blood urea nitrogen,serum creatinine,C-reactive protein(CRP)and CCI levels.Multivariate logistic regression analysis suggested that NLR≥13.18,fasting blood glucose ≥7.56 mmol/L,blood urea nitrogen ≥20.74 mmol/L,CRP≥65 mg/L and CCI≥3 might be predictors for in-hospital death in the cohort(OR =48.91、3.43、1.22、6.55、1.55,all P<0.05).Conclusions Pulmonary infection is the most common reason for admission and the cause of death in centenarian inpatients.Comorbidities increase the risk of death.To lower in-hospital mortality,CCI and other assessment indicators should be used to strengthen the comprehensive assessment and chronic disease management of hospitalized centenarians.Infectious diseases should be prevented beforehand.
8.Novel C-17 spirost protostane-type triterpenoids from with anti-inflammatory activity in Caco-2 cells.
Qinghao JIN ; Jianqing ZHANG ; Jinjun HOU ; Min LEI ; Chen LIU ; Xia WANG ; Yong HUANG ; Shuai YAO ; Bang Yeon HWANG ; Wanying WU ; Dean GUO
Acta Pharmaceutica Sinica B 2019;9(4):809-818
Twenty-one protostane-type triterpenoids with diverse structures, including nine new compounds (-), were isolated from the of Linn. Structurally, alisolides A‒F (-), composed of an oxole group coupled to a five-membered ring, represent unusual C-17 spirost protostane-type triterpenoids. Alisolide H () is a novel triterpenoid with an unreported endoperoxide bridge. Alisolide I () represents the first example of 23,24-acetal triterpenoid. Their structures were elucidated based on spectroscopic analysis, wherein the absolute configurations of ‒, were further confirmed by the Mo(OAc)-induced ECD method. Furthermore, all isolates were evaluated for their inhibitory effects on LPS-induced NO production in Caco-2 cells, and all the compounds showed remarkable inhibitory activities, with IC values in the range of 0.76-38.20 μmol/L.
9. Diagnosis and treatment experience of 161 cases of pancreatic serous cystic neoplasm in single center and analysis of cause of preoperation misjudgement
Kanru LIN ; Jianqing ZHU ; Ji LI ; Jichun GU ; Hengchao LI ; Ran WEI ; Yi GUO ; Yuanyuan WANG ; Huiying WANG ; Deliang FU
Chinese Journal of Surgery 2018;56(8):591-596
Objective:
To analyze the causes of preoperative miscarriage of pancreatic serous cystadenoma (SCN) and find the ways to improve it.
Methods:
Clinical data of 425 pancreatic cystic neoplasm patients who underwent surgical resection from January 2006 to December 2016 in Department of Pancreatic Surgery in Huashan Hospital were retrospectively analyzed.Excel database was created which covered 128 fields of 7 fields: general information of patients, preoperative blood biochemical indexes, tumor markers, surgical related data, postoperative complications, imaging findings and pathology.One hundred and sixty-one cases of SCN were analyzed in depth, mainly in three aspects: surgical benefit, preoperative imaging diagnostic value and interference factors in preoperative judgement.The classification data were analyzed by χ2 test and the quantitative data were analyzed by
10. Influencing factors of occupational musculoskeletal disorders in workers of manufacturing industry
Zhiping GUO ; Xinxia LIU ; Haozhong LIU ; Jianqing FENG
China Occupational Medicine 2017;44(04):459-462
OBJECTIVE: To investigate the prevalence of occupational musculoskeletal disorders(OMD) in workers of manufacturing industry,and to analyze its influencing factors.METHODS: A total of 1 168 first-line workers from 3manufacturing enterprises were selected as study subjects using convenient sampling.The self-designed questionnaire was used to investigate the basic information and the ergonomics of work process.The Nordic Musculoskeletal Questionnaire was used to investigate the prevalence of OMD.The workers were divided into non-OMD group and OMD group.RESULTS: The prevalence of OMD in these 1 168 workers was 34.9%.Comparing with the non-OMD group,the score of using auxiliary tools to carry the weights in the OMD group was higher(P<0.01),and the scores of straight waist and bent knees when transporting heavy object was lower(P<0.01).Logistic regression analysis showed that male workers had a higher risk of OMD than female workers(P<0.05).The longer the length of service,the greater the risk of OMD(P<0.01).Shift workers had the higher risk of OMD than non-shift workers(P<0.01).The higher scores of using auxiliary tools to carry the weights and straight waist and bent knees when transporting heavy object(it mean that less use of the above labor behavior and posture),the greater the risk of OMD(P<0.05).CONCLUSION: Sex,length of service,shift,labor behavior and posture are the influencing factors of OMD.

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