1.Pharmacodynamic substances and mechanism of action of Huanglian Jiedu Decoction in the treatment of gouty arthritis:a study based on UPLC-Q-TOF/MS,network pharmacology,and molecular docking simulation
Wenting WANG ; Jinhui FENG ; Ke YANG ; Sha LI ; Bin WANG ; Jiping LIU ; Hao WEI ; Yongheng SHI ; Chuan WANG ; Guoquan WANG
Journal of Chongqing Medical University 2025;50(7):860-869
Objective:To identify the main components of Huanglian Jiedu Decoction(HLJDD)using ultra-high-performance liquid chromatography-quadrupole-time of flight-mass spectrometry(UPLC-Q-TOF-MS),and to explore the potential mechanism of action of HLJDD in the treatment of gouty arthritis(GA)using network pharmacology and molecular docking methods.Methods:We identi-fied the chemical components of HLJDD by combining UPLC-Q-TOF-MS data acquired in both positive and negative ion modes with reference standards,relevant literature,and database searches.We analyzed the potential therapeutic mechanism of HLJDD for GA by using network pharmacology to determine the intersection targets between the active ingredients of HLJDD and GA for further enrich-ment analysis and visual network mapping.The binding affinity of the active ingredients with the intersection targets was validated through molecular docking.Results:A total of 47 components were identified by UPLC-Q-TOF-MS;54 key components of HLJDD for GA treatment and 37 intersection targets were determined by net-work pharmacology;and the top 10 key targets by Degree value were obtained by protein-protein interaction analysis.The Gene On-tology functional enrichment analysis revealed 20 biological pro-cesses,7 cellular components,and 8 molecular functions.The Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis demonstrated 96 GA-related intervention pathways,in which inflammatory signaling pathways such as interleukin-17(IL-17)and tu-mor necrosis factor(TNF)were involved.Molecular docking verified that the key components of HLJDD had high binding affinity with the core targets.Conclusion:The identified key components in HLJDD,such as phellodendrine,coptisine,wogonin,and β-sitosterol,may alleviate GA by regulating multiple core targets in the IL-17 and TNF pathways,such as PTSG2,which provides a theoretical ba-sis for future investigation into the mechanism of action of HLJDD.
2.Simultaneous Determination of 50 Kinds of Steroid Hormones in Surface Water by Online Solid Phase Extraction Coupled with Ultra Performance Liquid Chromatography-Triple Quadrupole Mass Spectrometry
Fang-Xi XU ; He NIU ; Yu-Tao GE ; Guo-Hua ZHU ; Hang-Bin LYU ; Jin-Song LI ; Lang-Sha YI ; Jian-Jie FU ; Gui-Bin JIANG
Chinese Journal of Analytical Chemistry 2025;53(6):998-1009,中插22-中插41
A novel analytical method was developed in this study by combining online solid phase extraction with ultra performance liquid chromatography-tandem mass spectrometry(Online SPE-UPLC-MS/MS)for simultaneous determination of 50 kinds of steroid hormones in surface water.Specifically,after high-speed centrifugation of 4 mL water samples,the supernatant was directly injected into an Oasis HLB online SPE column for enrichment and purification.Subsequently,the target compounds were transferred to the analytical column via valve switching for separation and analysis.The chromatographic separation was performed on a Thermo Acclaim RSLC C18 column(100 mm×2.1 mm,2.2 μm),using a mobile phase composed of 5 mmol/L ammonium fluoride aqueous solution and acetonitrile.Mass spectrometric detection was conducted in positive ion mode,utilizing multiple reaction monitoring(MRM)with quantification achieved by the internal standard method.The method validation demonstrated that the limits of detection(LOD)for the 50 kinds of steroid hormones ranged from 0.02 to 0.50 ng/L,while the limits of quantification(LOQ)were between 0.08 and 1.67 ng/L.The average recoveries in surface water samples at spiked concentrations of 5,20 and 200 ng/L were between 74.1%and 119%,with relative standard deviations(RSDs)of 0.2%to 9.9%.This method was applied to analyze 11 surface water samples collected from sites surrounding a pharmaceutical and chemical industrial park.A total of 44 kinds of steroid hormones were detected,with concentrations ranging from 0.11 to 88.6 ng/L,revealing the presence of hormone contamination in the environmental waters surrounding industrial areas.Compared with the traditional offline SPE methods,the proposed online SPE technique significantly reduced sample volume requirements and pretreatment time,while minimizing the loss of target compounds during the pretreatment process.Moreover,compared to reported online SPE techniques,this method achieved high-throughput analysis of multiple classes of steroid hormones,with lower detection limits and higher recoveries.Overall,this method provided rapid sample preparation,high sensitivity,and excellent stability,making it suitable for the direct analysis of trace steroid hormones in surface water.
3.Key Points for Quality Management in Phase Ⅰ Clinical Trials of Anti-Tumor Drugs
Li GONG ; Bin LIAO ; Jie SHEN ; Juan ZHAO ; Yi GONG ; Xiaoxiao LU ; Huiyao YANG ; Sha LI ; Yongsheng LI
Cancer Research on Prevention and Treatment 2025;52(5):347-354
Phase Ⅰ clinical trials play a crucial role in the research and development of new drugs, serving as the initial studies to assess their safety, tolerability, effectiveness, and pharmacokinetic properties in humans. These trials involve uncertainties regarding safety and efficacy. Comprehensive management of all aspects of phase Ⅰ clinical trials for anti-tumor drugs is crucial to protect the rights and safety of participants. This article provides an in-depth analysis of the key points and precautions necessary for effective quality control throughout the process. The analysis is informed by guidelines such as the “Good Clinical Practice for Drugs” “Key Points and Judgment Principles for Drug Registration Verification” “Key Points and Judgment Principles for Supervision and Inspection of Drug Clinical Trial Institutions” and the standard operating procedures for quality control of the center. Topics discussed include informed consent, inclusion criteria, experimental drugs, biological samples, adverse events, and serious adverse events. The goal is to standardize quality control in phase Ⅰ clinical trials of anti-tumor drugs, ensure the authenticity and reliability of clinical trial data, and protect the rights and safety of participants.
4.Application of VWF Antigen and Activity Testing Based on ABO Blood Group in Risk Assessment of Deep Vein Thrombosis
Bin YAN ; Tian-Xi HU ; Sha LI ; Jia-Wei LI ; Wei-Peng DU ; Hui-Xin ZOU ; Ya WANG ; Tao TAO
Journal of Experimental Hematology 2025;33(6):1688-1693
Objective:To explore the clinical value of plasma von Willebrand factor antigen(VWF:Ag)and VWF activity(VWF:GPIbM)based on ABO blood group in the risk assessment of deep vein thrombosis(DVT).Methods:A total of 163 patients with DVT who sought medical treatment from March 2021 to December 2022 were selected as the case group,and 135 healthy volunteers during the same period were selected as the control group.The differences of ABO blood groups,plasma VWF:Ag and VWF:GPIbM levels between the two groups were compared.Receiver operating characteristic(ROC)curves were used to evaluate the clinical value of VWF testing in predicting DVT events.Logistic regression analysis was applied to identify risk factors for DVT.Results:The levels of plasma VWF:Ag and VWF:GPIbM in the DVT group were significantly higher than those in the control group both overall and across ABO blood type subgroups(P<0.01).Within the DVT group,the levels of plasma VWF:Ag and VWF:GPIbM in patients with non-O blood type were significantly higher than those with blood type O[VWF:Ag:219.74%±63.64%vs 162.21%±56.03%,P<0.01;VWF:GPIbM:228.10%(185.15%,249.10%)vs 148.25%(116.48%,225.48%),P<0.01].The area under the ROC curve(AUC)of VWF:Ag for predicting DVT events was 0.855,with a cut-off value of 142.4%,sensitivity of 82.2%and specificity of 72.6%;the AUC of VWF:GPIbM was 0.861,with a cut-off value of 141.2%,sensitivity of 84.7%,and specificity of 71.1%.Univariate analysis showed that both VWF:Ag and VWF:GPIbM were influencing factors for DVT events(P<0.05).Multivariate logistic regression analysis indicated that VWF:Ag>142.4%(OR=13.961,95%CI:7.654-25.464,P<0.01)and VWF:GPIbM>141.2%(OR=17.615,95%CI:9.155-33.892,P<0.01)were independent risk factors for DVT events.Conclusion:Levels of VWF:Ag and VWF:GPIbM are significantly elevated in non-O blood type DVT patients.VWF:Ag>142.4%and VWF:GPIbM>141.2%are independent risk factors for DVT events.VWF testing based on ABO blood group aids in the precision prevention and control of DVT.
5.Alzheimer's disease diagnosis among dementia patients via blood biomarker measurement based on the AT(N) system.
Tianyi WANG ; Li SHANG ; Chenhui MAO ; Longze SHA ; Liling DONG ; Caiyan LIU ; Dan LEI ; Jie LI ; Jie WANG ; Xinying HUANG ; Shanshan CHU ; Wei JIN ; Zhaohui ZHU ; Huimin SUI ; Bo HOU ; Feng FENG ; Bin PENG ; Liying CUI ; Jianyong WANG ; Qi XU ; Jing GAO
Chinese Medical Journal 2025;138(12):1505-1507
6.Phenylpropanoids from roots of Berberis polyantha.
Dong-Mei SHA ; Shuai-Cong NI ; Li-Niu SHA-MA ; Hai-Xiao-Lin-Mo MA ; Xiao-Yong HE ; Bin HE ; Shao-Shan ZHANG ; Ying LI ; Jing WEN ; Yuan LIU ; Xin-Jia YAN
China Journal of Chinese Materia Medica 2025;50(6):1564-1568
The chemical constituents were systematically separated from the roots of Berberis polyantha by various chromatographic methods, including silica gel column chromatography, HP20 column chromatography, polyamide column chromatography, reversed-phase C_(18) column chromatography, and preparative high-performance liquid chromatography. The structures of the compounds were identified by physicochemical properties and spectroscopic techniques(1D NMR, 2D NMR, UV, MS, and CD). Four phenylpropanoids were isolated from the methanol extract of the roots of B. polyantha, and they were identified as(2R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone-O-β-D-glucopyranoside(1), methyl 4-hydroxy-3,5-dimethoxybenzoate(2),(+)-syringaresinol(3), and syringaresinol-4-O-β-D-glucopyranoside(4). Compound 1 was a new compound, and other compounds were isolated from this plant for the first time. The anti-inflammatory activity of these compounds was evaluated based on the release of nitric oxide(NO) in the culture of lipopolysaccharide(LPS)-induced RAW264.7 macrophages. At a concentration of 10 μmol·L~(-1), all the four compounds inhibited the LPS-induced release of NO in RAW264.7 cells, demonstrating potential anti-inflammatory properties.
Plant Roots/chemistry*
;
Animals
;
Mice
;
Berberis/chemistry*
;
RAW 264.7 Cells
;
Macrophages/immunology*
;
Drugs, Chinese Herbal/isolation & purification*
;
Nitric Oxide/metabolism*
;
Molecular Structure
;
Anti-Inflammatory Agents/isolation & purification*
7.Prediction of testicular histology in azoospermia patients through deep learning-enabled two-dimensional grayscale ultrasound.
Jia-Ying HU ; Zhen-Zhe LIN ; Li DING ; Zhi-Xing ZHANG ; Wan-Ling HUANG ; Sha-Sha HUANG ; Bin LI ; Xiao-Yan XIE ; Ming-De LU ; Chun-Hua DENG ; Hao-Tian LIN ; Yong GAO ; Zhu WANG
Asian Journal of Andrology 2025;27(2):254-260
Testicular histology based on testicular biopsy is an important factor for determining appropriate testicular sperm extraction surgery and predicting sperm retrieval outcomes in patients with azoospermia. Therefore, we developed a deep learning (DL) model to establish the associations between testicular grayscale ultrasound images and testicular histology. We retrospectively included two-dimensional testicular grayscale ultrasound from patients with azoospermia (353 men with 4357 images between July 2017 and December 2021 in The First Affiliated Hospital of Sun Yat-sen University, Guangzhou, China) to develop a DL model. We obtained testicular histology during conventional testicular sperm extraction. Our DL model was trained based on ultrasound images or fusion data (ultrasound images fused with the corresponding testicular volume) to distinguish spermatozoa presence in pathology (SPP) and spermatozoa absence in pathology (SAP) and to classify maturation arrest (MA) and Sertoli cell-only syndrome (SCOS) in patients with SAP. Areas under the receiver operating characteristic curve (AUCs), accuracy, sensitivity, and specificity were used to analyze model performance. DL based on images achieved an AUC of 0.922 (95% confidence interval [CI]: 0.908-0.935), a sensitivity of 80.9%, a specificity of 84.6%, and an accuracy of 83.5% in predicting SPP (including normal spermatogenesis and hypospermatogenesis) and SAP (including MA and SCOS). In the identification of SCOS and MA, DL on fusion data yielded better diagnostic performance with an AUC of 0.979 (95% CI: 0.969-0.989), a sensitivity of 89.7%, a specificity of 97.1%, and an accuracy of 92.1%. Our study provides a noninvasive method to predict testicular histology for patients with azoospermia, which would avoid unnecessary testicular biopsy.
Humans
;
Male
;
Azoospermia/diagnostic imaging*
;
Deep Learning
;
Testis/pathology*
;
Retrospective Studies
;
Adult
;
Ultrasonography/methods*
;
Sperm Retrieval
;
Sertoli Cell-Only Syndrome/diagnostic imaging*
8.Analysis of the collaborative network between medical and public health institutions in Xiangtan City,Hunan Province
Jing-bin ZHANG ; Zheng WANG ; Sha-sha YUAN
Chinese Journal of Health Policy 2025;18(9):15-22
Objective:To analyze and evaluate the current state of the collaborative network among representative medical and public health institutions in Xiangtan city,Hunan Province.Methods:A comprehensive analysis was conducted using social network analysis and focus group interviews to examine the structure and status of five types of collaborative networks among key institutions—hospitals,specialized public health agencies,and primary healthcare facilities—in the case study area.Results:Significant urban-rural differences were observed in the collaborative networks.The further education network was loosely structured,with limited participation from public health institutions.The training network exhibited higher density,with district-level public health institutions and county-level hospitals serving as the core actors in urban and rural areas,respectively.In the supervision and assessment network,rural areas demonstrated multi-stakeholder involvement,whereas urban areas were predominantly led by public health institutions,with district-level medical institutions largely absent.Both infectious and chronic disease information reporting networks were more tightly integrated in rural areas,while urban areas showed insufficient participation from medical institutions.Conclusions:It is essential to strengthen cross-level collaboration among medical and public health institutions,improve a two-way evaluation and incentive mechanism tailored to urban and rural settings,and promote data-sharing initiatives to facilitate the circulation and integration of medical and public health information.
9.Analysis of the collaborative network between medical and public health institutions in Xiangtan City,Hunan Province
Jing-bin ZHANG ; Zheng WANG ; Sha-sha YUAN
Chinese Journal of Health Policy 2025;18(9):15-22
Objective:To analyze and evaluate the current state of the collaborative network among representative medical and public health institutions in Xiangtan city,Hunan Province.Methods:A comprehensive analysis was conducted using social network analysis and focus group interviews to examine the structure and status of five types of collaborative networks among key institutions—hospitals,specialized public health agencies,and primary healthcare facilities—in the case study area.Results:Significant urban-rural differences were observed in the collaborative networks.The further education network was loosely structured,with limited participation from public health institutions.The training network exhibited higher density,with district-level public health institutions and county-level hospitals serving as the core actors in urban and rural areas,respectively.In the supervision and assessment network,rural areas demonstrated multi-stakeholder involvement,whereas urban areas were predominantly led by public health institutions,with district-level medical institutions largely absent.Both infectious and chronic disease information reporting networks were more tightly integrated in rural areas,while urban areas showed insufficient participation from medical institutions.Conclusions:It is essential to strengthen cross-level collaboration among medical and public health institutions,improve a two-way evaluation and incentive mechanism tailored to urban and rural settings,and promote data-sharing initiatives to facilitate the circulation and integration of medical and public health information.
10.Application of VWF Antigen and Activity Testing Based on ABO Blood Group in Risk Assessment of Deep Vein Thrombosis
Bin YAN ; Tian-Xi HU ; Sha LI ; Jia-Wei LI ; Wei-Peng DU ; Hui-Xin ZOU ; Ya WANG ; Tao TAO
Journal of Experimental Hematology 2025;33(6):1688-1693
Objective:To explore the clinical value of plasma von Willebrand factor antigen(VWF:Ag)and VWF activity(VWF:GPIbM)based on ABO blood group in the risk assessment of deep vein thrombosis(DVT).Methods:A total of 163 patients with DVT who sought medical treatment from March 2021 to December 2022 were selected as the case group,and 135 healthy volunteers during the same period were selected as the control group.The differences of ABO blood groups,plasma VWF:Ag and VWF:GPIbM levels between the two groups were compared.Receiver operating characteristic(ROC)curves were used to evaluate the clinical value of VWF testing in predicting DVT events.Logistic regression analysis was applied to identify risk factors for DVT.Results:The levels of plasma VWF:Ag and VWF:GPIbM in the DVT group were significantly higher than those in the control group both overall and across ABO blood type subgroups(P<0.01).Within the DVT group,the levels of plasma VWF:Ag and VWF:GPIbM in patients with non-O blood type were significantly higher than those with blood type O[VWF:Ag:219.74%±63.64%vs 162.21%±56.03%,P<0.01;VWF:GPIbM:228.10%(185.15%,249.10%)vs 148.25%(116.48%,225.48%),P<0.01].The area under the ROC curve(AUC)of VWF:Ag for predicting DVT events was 0.855,with a cut-off value of 142.4%,sensitivity of 82.2%and specificity of 72.6%;the AUC of VWF:GPIbM was 0.861,with a cut-off value of 141.2%,sensitivity of 84.7%,and specificity of 71.1%.Univariate analysis showed that both VWF:Ag and VWF:GPIbM were influencing factors for DVT events(P<0.05).Multivariate logistic regression analysis indicated that VWF:Ag>142.4%(OR=13.961,95%CI:7.654-25.464,P<0.01)and VWF:GPIbM>141.2%(OR=17.615,95%CI:9.155-33.892,P<0.01)were independent risk factors for DVT events.Conclusion:Levels of VWF:Ag and VWF:GPIbM are significantly elevated in non-O blood type DVT patients.VWF:Ag>142.4%and VWF:GPIbM>141.2%are independent risk factors for DVT events.VWF testing based on ABO blood group aids in the precision prevention and control of DVT.

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