1.Optimization of Discrete Element Simulation Parameter Calibration Method for Traditional Chinese Medicine Extract Powder Under Low Shear Conditions
Xuefang TANG ; Huanzheng LI ; Zichen LIANG ; Yifei LIU ; Ying LIU ; Fangfang XU ; Bing XU
Chinese Journal of Experimental Traditional Medical Formulae 2025;31(9):211-218
ObjectiveTo improve the accuracy of discrete element method in simulating the processing of traditional Chinese medicine(TCM) powder system under low shear conditions. MethodsIn this study, extract powders of Tongsaimai tablets and Qige granules were used as the research objects, the angle of repose(AOR) and effective angle of internal friction of the two materials were determined by AOR test method and shear cell test method. Based on the Hertz-Mindlin with JKR V2 contact model and particle scaling theory, taking the particle-particle restitution coefficient(A), particle-particle static friction coefficient(B), particle-particle rolling friction coefficient(C), particle-steel restitution coefficient(D), particle-steel static friction coefficient(E), particle-steel rolling friction coefficient(F) and Johnson-Kendall-Roberts(JKR) surface energy(G) as test factors, the simulated contact parameters of Tongsaimai tablets extract powder were first calibrated with a single reference value using AOR as the reference value, and then the simulated contact parameters of Tongsaimai tablets extract powder as well as Qige granules extract powder were co-calibrated with AOR and effective angle of internal friction as the joint reference value, respectively. Then, Plackett-Burman design was used to screen the critical contact parameters that have a significant effect on the simulated reference value, and the steepest ascent design was used to determine the optimal range of the critical contact parameters, finally, the regression model between the critical contact parameters and the simulated reference values was established through the design of the response surface test, and the critical contact parameters were calibrated based on the regression model and the desirability function approach. ResultsThe optimal combination of discrete elemental contact parameters A-G for Tongsaimai tablets extract powder under a single reference value was 0.100, 0.718, 0.616, 0.100, 0.400, 0.250 and 0.075 J·m-2, which was validated to have relative errors of 0.10% and -8.64% for the simulated AOR and the simulated effective angle of internal friction, respectively. And the optimal combination of discrete elemental contact parameters A-G for Tongsaimai tablets extract powder at the joint reference values was 0.100, 0.682, 0.598, 0.100, 0.521, 0.294 and 0.075 J·m-2, which was verified to have relative errors of 0.10% and -0.18% for the simulated AOR and the simulated effective angle of internal friction, respectively. The optimal combination of discrete elemental contact parameters A-G for Qige granules extract powder at the joint reference values was 0.150, 0.370, 0.330, 0.150, 0.500, 0.500 and 0.100 J·m-2, which was verified to have relative errors of 2.70% and -1.30% for the simulated AOR and the simulated effective angle of internal friction, respectively. Compared with the single reference value method, the joint calibration method not only increased the number of the critical contact parameters for characterizing particle-device interactions, but also was more accurate and reliable. ConclusionCompared with the results of single reference value calibration, the results obtained by the method of joint calibration of discrete element simulation contact parameters with AOR and effective angle of internal friction as the reference values are more accurate, which can provide more accurate and reliable simulation physical property data for the simulation experiments of TCM extract powder under low shear process conditions.
2.Genetic engineering and molecular modification of recombinant fully humanized single-domain antibody against Helicobacter pylori UreB
Xuefang WANG ; Yang ZHAO ; Zhuqing LIU ; Le GUO ; Feiliang ZHONG ; Xuegang LUO
Journal of China Pharmaceutical University 2024;55(5):666-672
To construct a recombinant expression system for a single-domain antibody targeting the urease of Helicobacter pylori(Hp),this study employed several strategies.First,using artificial intelligence(AI)auxiliary tools such as Pymol,I-TASSER,and ClussPro2,the molecular interactions between different antibodies and Hp urease subunit B(UreB)were analyzed.The fully humanized single-domain antibody UreBAb was identified as the primary research target.Next,the UreBAb gene sequence was optimized based on Escherichia coli codon preferences,and was inserted into expression vectors such as pET28a and pE-SUMO.The resulting recombinant expression strains were obtained by transforming Escherichia coli Rosetta(DE3).Recombinant antibody proteins were prepared through IPTG induction,and its activity was detected using extracted Hp urease as the antigen.SDS-PAGE analysis confirmed the correct expression of both UreBAb and SUMO-UreBAb,with protein yields of 0.34 mg/mL and 0.41 mg/mL,respectively.Unidirectional immunodiffusion experiments further confirmed that both recombinant antibodies exhibited strong affinity for Hp UreB antigen,with inhibition rates of 51.27%and 74.07%,respectively.Additionally,leveraging artificial intelligence tools such as AlphaFold2,cluspro2,mCSM-AB,OSPREY,and FoldX,the study evaluated and analyzed key binding sites and mutational strategies affecting the stability of the antigen-antibody complex.Subsequently,nine UreBAb evolution mutants were constructed,and their binding activities with the antigen were enhanced.Among these,the I107W mutant showed the most significant improvement,achieving a 24.95%increase compared to the wild-type UreBAb.This research lays a solid foundation for the development of fully humanized single-domain antibodies against Hp.
3.A case of acute poisoning of typhonium giganteum engler
Zhiwen ZHAO ; Juan ZHAO ; Xuefang LIU ; Xiaolin ZHANG ; Mingjing HUANG ; Zhicheng FANG
Chinese Journal of Industrial Hygiene and Occupational Diseases 2024;42(1):53-55
Unicorn lotus is a plant tuber in the araceae family, which has therapeutic effects such as dispelling cold and dampness, dispelling wind and phlegm, and treating stroke. However, acute poisoning of fresh Unicorn lotus has been rarely reported domestically and internationally. This article reports a case of poisoning caused by chewing unicorn lotus. The patient experienced numbness in the lips, swelling and rupture of the oral cavity, continuous salivation, difficulty swallowing and obvious burning sensation in the throat, accompanied by shortness of breath and mild hypoxemia. After receiving comprehensive treatments such as oxygen therapy, electrocardiographic monitoring, cleaning of necrotic oral mucosa, anti infection, inhibition of oral salivary secretion, and nutritional support, the patient finally recovered and was discharged.
4.Research Progress on the Pharmacological Mechanism of Dendrobium Officinale in the Treatment of Diabetes Mellitus
Xuefang HU ; Chuan PENG ; Lingling QIN ; Lili WU ; Tonghua LIU
World Science and Technology-Modernization of Traditional Chinese Medicine 2024;26(4):852-860
Dendrobium is one of the valuable Chinese herbs in China,and Dendrobium officinale is the top grade of Dendrobium,which is recorded in many ancient medical texts as having the efficacy of treating diabetes.Modern pharmacological research shows that Dendrobium has the effects of anti-tumor,anti-fatigue,immune regulation,anti-aging,and regulation of glycolipid metabolism.In clinical application,Dendrobium officinale also has the function of balancing glucose and lipid metabolism,improving insulin resistance,promoting insulin secretion,improving the function of islet cells,and has a certain role in the prevention and treatment of diabetic complications.At present,there is a lack of systematic review of the pharmacological mechanism of Dendrobium officinale in the treatment of diabetes.In order to understand the pharmacological action of Dendrobium officinale in the treatment of diabetes more comprehensively,and to provide a reference for further pharmacological research,so that it can be better applied in clinics,this paper reviews the research progress of the pharmacological mechanism of Dendrobium officinale in the treatment of diabetes.
5.A case of acute poisoning of typhonium giganteum engler
Zhiwen ZHAO ; Juan ZHAO ; Xuefang LIU ; Xiaolin ZHANG ; Mingjing HUANG ; Zhicheng FANG
Chinese Journal of Industrial Hygiene and Occupational Diseases 2024;42(1):53-55
Unicorn lotus is a plant tuber in the araceae family, which has therapeutic effects such as dispelling cold and dampness, dispelling wind and phlegm, and treating stroke. However, acute poisoning of fresh Unicorn lotus has been rarely reported domestically and internationally. This article reports a case of poisoning caused by chewing unicorn lotus. The patient experienced numbness in the lips, swelling and rupture of the oral cavity, continuous salivation, difficulty swallowing and obvious burning sensation in the throat, accompanied by shortness of breath and mild hypoxemia. After receiving comprehensive treatments such as oxygen therapy, electrocardiographic monitoring, cleaning of necrotic oral mucosa, anti infection, inhibition of oral salivary secretion, and nutritional support, the patient finally recovered and was discharged.
6.Risk factors of postoperative recurrence in patients with primary brain glioma and prediction model construction
Pingping LIU ; Xuefang HE ; Yi ZHANG ; Xu YANG ; Shanshan ZHANG ; Yifei JI
Journal of International Oncology 2024;51(4):193-197
Objective:To investigate the risk factors of postoperative recurrence in patients with primary brain glioma and to construct a prediction model.Methods:A total of 98 patients with primary brain glioma treated by radical surgery in Nanchong Central Hospital from January 2018 to January 2021 were retrospectively included, and were divided into recurrent group (40 cases) and non-recurrent group (58 cases) according to whether there was recurrence or not during the follow-up period. The independent influencing factors for postoperative recurrence in patients with primary brain glioma were evaluated by multivariate logistic regression. Logistic prediction model of postoperative recurrence risk of patients with primary brain glioma was established, and the predictive efficacy of each index was calculated by receiver operator characteristic (ROC) curve.Results:There were statistically significant differences between recurrent group and non-recurrent group in glioma World Health Organization (WHO) grade ( χ2=12.48, P<0.001), isocitrate dehydrogenase (IDH) 1/2 mutation ( χ2=13.24, P<0.001), mean platelet volume (MPV) ( t=5.34, P<0.001), and MPV/platelet count (PLT) ( t=9.73, P<0.001). Multivariate analysis showed that WHO grade Ⅲ-Ⅳ ( OR=8.54, 95% CI: 1.62-44.99, P=0.011), IDH1/2 wild type ( OR=9.08, 95% CI: 1.68-49.19, P=0.010), low MPV ( OR=0.46, 95% CI: 0.21-0.99, P=0.048) and low MPV/PLT ( OR=0.02, 95% CI: 0.01-0.03, P<0.001) were independent risk factors for postoperative recurrence in patients with primary brain glioma. The logistic prediction model based on the above indicators was logit ( P) =11.78+2.15×WHO grade+2.21×IDH1/2 mutation situation-0.78×MPV-200.70×MPV/PLT ( R2=0.785). The ROC curve analysis results showed that WHO grade, IDH1/2 mutation, MPV, MPV/PLT, and logistic prediction model P-value could all be used to predict the risk of postoperative recurrence in patients with primary brain glioma; The areas under the curve were 0.681, 0.684, 0.783, 0.920 and 0.964, respectively. In the area under ROC curve comparison of each indicator, the predictive performance of the logistic regression model P-value was significantly higher than that of other indicators (all P<0.05) . Conclusion:Postoperative recurrence in patients with primary brain glioma may be related to glioma WHO grade, IDH1/2 mutation and platelet related laboratory indexes. The model constructed based on the above indicators can be used to predict the recurrence risk in patients with primary brain glioma after surgery.
7.Can Tibetan medicine Honghua Ruyi pills relieve endometriosis-associated dysmenorrhea? Protocol for a randomized placebo-controlled trial
Mei Han ; Jiahui Cao ; Jiali Wei ; Hui Luo ; Chaoqin Yu ; Xuefang Liang ; Nyangmotse ; Guoyan Yang ; Huilan Du ; Jianping Liu
Journal of Traditional Chinese Medical Sciences 2024;11(1):78-85
Objective:
To provide high-quality clinical evidence of the efficacy of Tibetan medicine Honghua Ruyi (HHRY) pills for endometriosis-associated dysmenorrhea.
Methods:
This study constitutes a multicenter, randomized, double-blind, placebo-controlled trial encompassing a three-menstrual cycle intervention followed by a three-menstrual cycle follow-up period. A total of 164 eligible females with endometriosis-associated dysmenorrhea were randomly divided into HHRY pills and placebo groups in a 1:1 ratio. The primary outcome included dysmenorrhea symptoms assessed using Visual Analog Scale (VAS) scores and quality of life, whereas the secondary outcome measures included the maximum VAS for non-menstrual pelvic pain, duration of pain episodes (in days), frequency and quantity of the consumption of ibuprofen sustained-release capsules (or other non-steroidal anti-inflammatory drugs), and days off work/study for staff/student due to dysmenorrhea, ovarian cyst, and/or pelvic nodule size. The safety was monitored throughout the treatment period. All the analyses were based on the intention-to-treat principle. For continuous outcomes, simple or multiple linear regressions were used to estimate the differences between the HHRY pills and placebo groups, with categorical data expressed as the number and percentage of occurrences. Differences were compared using the chi-square test or Fisher's exact test. The predefined analysis was adjusted for concomitant treatment, a variable considered to be associated with outcomes but unaffected by treatment allocation. Estimates of treatment effects were reported with 95% confidence intervals. Two-tailed P values ≤ .05 were considered statistically significant.
Conclusion
Positive results from this trial, upon completion would provide robust evidence for the efficacy and safety of HHRY pills in treating dysmenorrhea in patients with endometriosis.
8.Application of Novel Down-sampling Method in Retinal Vessel Segmentation.
Zhijin LYU ; Xuefang CHEN ; Xiaofang ZHAO ; Huazhu LIU
Chinese Journal of Medical Instrumentation 2023;47(1):38-42
Accurate segmentation of retinal blood vessels is of great significance for diagnosing, preventing and detecting eye diseases. In recent years, the U-Net network and its various variants have reached advanced level in the field of medical image segmentation. Most of these networks choose to use simple max pooling to down-sample the intermediate feature layer of the image, which is easy to lose part of the information, so this study proposes a simple and effective new down-sampling method Pixel Fusion-pooling (PF-pooling), which can well fuse the adjacent pixel information of the image. The down-sampling method proposed in this study is a lightweight general module that can be effectively integrated into various network architectures based on convolutional operations. The experimental results on the DRIVE and STARE datasets show that the F1-score index of the U-Net model using PF-pooling on the STARE dataset improved by 1.98%. The accuracy rate is increased by 0.2%, and the sensitivity is increased by 3.88%. And the generalization of the proposed module is verified by replacing different algorithm models. The results show that PF-pooling has achieved performance improvement in both Dense-UNet and Res-UNet models, and has good universality.
Algorithms
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Retinal Vessels
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Image Processing, Computer-Assisted
9.Hypoglycemic Effect and Mechanism of Chinese Medicine Saponins: A Review
Chuan PENG ; Xuefang HU ; Zhengtao CHEN ; Chenyu DOU ; Peng YANG ; Jingxin BI ; Lei DING ; Lili WU ; Lingling QIN ; Tonghua LIU
Chinese Journal of Experimental Traditional Medical Formulae 2023;29(11):266-275
Type 2 diabetes mellitus (T2DM) is a chronic metabolic disease characterized by insulin resistance, hyperinsulinemia, and disturbance of glucose and lipid metabolism, with elevated blood glucose as the main clinical manifestation. Due to its complex etiology and pathogenesis, there is no effective treatment, which critically threatens human health and places a heavy burden on society and families. Saponins are a class of glycosides with complex structures that have the advantage of a wide range of sources, elevated safety, and low adverse effects. As an essential active ingredient in Chinese medicine, Chinese medicine saponins have a variety of biological activities such as hypoglycemia, hypoglycaemia, anti-inflammation, antioxidation, anti-tumor, and immune modulation. In recent years, numerous studies have shown that Chinese medicine saponins are effective in preventing and treating T2DM. Although there have been numerous studies on the hypoglycemic effects and mechanisms of Chinese medicine saponins, there has been no systematic review of the mechanisms of Chinese medicine saponins in the treatment of T2DM. Therefore, to provide a theoretical basis for an in-depth study of the hypoglycemic effects of Chinese medicine saponins and a scientific basis for the development and clinical application of drugs, this paper systematically summarized the hypoglycemic mechanisms of Chinese medicine saponins, such as improving islet β-cell function, improving insulin resistance, inhibiting glycosidase activity, reducing the inflammatory response, anti-oxidative stress, and regulating intestinal flora, and analyzed the current research problems and development trends.
10.Efficacy of O-arm combined with CT three-dimensional navigation system assisted versus manual screw placement in the treatment of lower cervical fracture and dislocation
Shuai LI ; Jinpeng DU ; Jiang WANG ; Yunfei HUANG ; Zhigang ZHAO ; Zhen CHANG ; Xuefang ZHANG ; Liang YAN ; Hua HUI ; Xiaobin YANG ; Zhongkai LIU ; Lingbo KONG ; Bolong ZHENG ; Baorong HE
Chinese Journal of Trauma 2023;39(8):712-720
Objective:To compare the clinical efficacies of O-arm combined with CT three-dimensional navigation system assisted screw placement versus manual screw placement in treating lower cervical fracture and dislocation.Methods:A retrospective cohort study was used to analyze the clinical data of 41 patients with lower cervical fracture and dislocation, who were treated in Honghui Hospital, Xi′an Jiaotong University from May 2021 to February 2022. The patients included 26 males and 15 females, aged 31.5-48.6 years [(41.5±15.0)years]. The injured segments were C 3 in 3 patients, C 4 in 12, C 5 in 13, C 6 in 10 and C 7 in 3. Nineteen patients were treated with cervical pedicle screws by O-shaped arm combined with CT three-dimensional navigation system (navigation group, 76 screws) and 22 by bare hands (traditional group, 88 screws). The total operation time, effective operation time, single nail placement time, single screw correction times, screw distance from anterior cortex, intraoperative blood loss, intraoperative fluoroscopic radiation dose, incision length and length of hospital stay were compared between the two groups, and the height of intervertebral space, Cobb angle, interbody slip distance and American Spinal injury Association (ASIA) grade were compared before operation and at 3 days after operation. Visual analogue score (VAS), Japanese Orthopedic Association (JOA) score, and neck dysfunction index (NDI) were evaluated before operation, at 3 days, 3 months after operation and at the last follow-up. Accuracy of screw placement and incidence of complications (adjacent facet joint invasion, infection, screw loosening) were detected as well. Results:All the patients were followed up for 11.1-13.9 months [(12.5±1.4)months]. The total operation time, intraoperative blood loss, intraoperative fluoroscopic radiation dose and incision length in the navigation group were more or longer than those in the traditional group (all P<0.05). The effective operation time, single nail placement time, single nail correction times and screw distance from anterior cortex in the navigation group were markedly less or smaller than those in the traditional group (all P<0.05). There was no significant difference in the length of hospital stay between the two groups ( P>0.05). There were significant improvements in the height of intervertebral space, Cobb angle and interbody slip distance between the two groups at 3 days after operation (all P<0.05). There was no significant difference in the height of intervertebral space, Cobb angle, interbody slip distance or ASIA grade between the two groups before operation or at 3 days after operation (all P>0.05). Compared with pre-operation, the VAS, JOA score and NDI were significantly improved in both groups at 3 days, 3 months after operation and at the last follow-up (all P<0.05), with further improvement with time. There was no significant difference in VAS between the two groups before operation or at 3 months after operation (all P>0.05), but it was markedly lower in the navigation group compared with the traditional group at 3 days after operation and at the last follow-up (all P<0.05). There were no significant differences in JOA score or NDI between the two groups before operation or at 3 days and 3 months after operation (all P>0.05), but both were lower in the navigation group compared with the traditional group at the last follow-up (all P<0.05). The accuracies of placement of grade 0 and grade 0+1 screws were 92.0% (70/76) and 96.6% (73/76) in the navigation group, respectively, which were markedly higher than 88.7% (78/88) and 93.5% (82/88) in the traditional group (all P<0.05). The rates of adjacent facet joint invasion of A, B, and C degrees were 71.2% (54/76), 28.8% (22/76) and 0% (0/76) in the navigation group, respectively, while the invasion rates were 60.5% (53/88), 32.3% (28/88) and 7.3% (7/88) in the traditional group ( P<0.05). No screw loosening was noted in the navigation group, but the screw loosening rate was 9.1% (8/88) in the traditional group ( P<0.01). Conclusion:Compared with manual screw placement, O-arm combined with CT three-dimensional navigation system assisted screw placement for lower cervical fracture and dislocation has the advantages of shorter effective operation time, quicker screw placement, stronger screw holding force, better cervical stability, slighter postoperative pain, higher screw placement accuracy, and lower facet joint invasion and screw loosening rates.


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