1.Predicting interactions between perfluoroalkyl substances and placental transporters base on molecular docking
Dan CAI ; Yi ZHANG ; Suqin TAN
Journal of Environmental and Occupational Medicine 2025;42(8):954-961
Background The affinity between placental transporters and perfluoroalkyl substances (PFAS) could affect the placental transport and toxicity of PFAS, while the study on the interaction between PFAS and placental transporters is limited. Objective To explore interactions between PFAS and placental transporters using molecular docking, and to provide a theoretical basis for PFAS toxicity prediction and fetal health risk assessment. Methods Fifteen PFAS compounds, each conformationally sampled and energy-minimized, and 16 placental transporters, represented by their 3D structures, were imported into a molecular docking software (MOE 20140901). For each PFAS, 30 distinct conformations were generated and docked into the active pockets of the transporters using a semi-flexible docking mode. Docking poses were primarily scored and ranked based on their calculated binding free energy (ΔG, kcal·mol−1), with additional consideration given to hydrogen bonding interactions and the ligand's root mean square deviation (RMSD) at the binding site; the top 20 poses for each complex were subsequently output. Optimal binding configurations were identified as those exhibiting a relatively low binding free energy (ΔG ranging from −3 to −10 kcal·mol−1), well-defined hydrogen bonds, and an RMSD ≤ 2.0 Å. The binding capabilities of the PFAS to the placental transporters were then evaluated based on these optimal docking results. Results The PFAS could bind to the placental transporters, with structural specificity. For example, the binding capabilities increased as the carbon chain length of PFAS increased, and it was also higher for PFOS alternatives than for PFOS. Besides, the binding capabilities of sulfonic PFAS with the same carbon chain length was also stronger than that of carboxylic PFAS. For example, the binding capabilities of PFOS (C8) to 15 placental transporters was higher than that of PFOA (C8), except for glucose transporter 1 (PFOS vs. PFOA: −4.14 vs. −4.14). Further, PFAS might be bound to the placental transporter through hydrogen, ionic, and hydrophobic interactions. Conclusion PFAS are able to bind the placental transporters, and its toxicity and exposure risk can’t be ignored.
2.Effects of Left Ventricular Assist and Aortic Graft Angle on Aortic Valve: A Hemodynamic Study
Yufeng SUN ; Yizhou KANG ; Zhenxia MU ; Suqin HUANG ; Bin GAO
Journal of Medical Biomechanics 2023;38(1):E129-E134
Objective To investigate the effect of left ventricular assist device (LVAD) and aortic graft angle on hemodynamics of aortic valve. Methods Three models of aorta and aortic valve with 45°, 60° and 90° anastomosis angles between LVAD and aorta were constructed, and an in vitro pulsating table was built for in vitro experiments. Using particle image velocimetry (PIV) system, three moments in the cardiac cycle ( T1 systolic peak, T rapid closure, T3 diastolic peak), were selected to study the hemodynamic state of aortic valve. Results Velocity vector, vorticity and viscous shear stress were used to evaluate the effect of LVAD anastomosis angle on hemodynamics of aortic valve. During the period of rapid valve closure, with the increase of graft angle, the blood flow velocity near the valve wall, the average vorticity and the maximum viscous shear stress all increased. Conclusions When the graft angle is lower, the impact velocity of blood on the valve is smaller, and the shear force on the valve decreases, so that the valve is in a better hemodynamic environment. This study provides references for the selection of anastomotic angles in clinical operations.
3.A study and analysis of eye lens dose levels of medical staff during interventional cardiology procedures
Suqin QI ; Lingjian LIU ; Jin GUO ; Xun SUN ; Zhiwei PAN ; Ansheng LIU
Chinese Journal of Radiological Health 2023;32(5):532-537
Objective To analyze the eye lens equivalent dose levels of doctors during interventional cardiology procedures and identify related influential factors. Methods Twenty interventional specialists were selected from a cardiovascular specialty hospital. The cumulative equivalent doses to their eye lens during operations were monitored, and equipment-related parameters (fluoroscopy time, dose area product value [DAP], and entrance skin dose[ESD]), operation types, and operators’ positions were recorded. Results The annual equivalent doses to the eye lens of seven doctors exceeded 20 mSv. There was a linear correlation between the weekly number of operations and the equivalent dose to the eye lens (R2 = 0.457, P = 0.001). The mean eye lens equivalent dose per operation was 17.1 μSv, showing linear correlations with fluoroscopy time, DAP values, and ESD values (R2 = 0.427, 0.206, and 0.237, respectively, P < 0.05). The fluoroscopy time, DAP value, ESD value, and eye lens equivalent dose during percutaneous coronary intervention (PCI) were significantly higher than those during coronary angiography (t = −3.226, −3.108, −3.061, and −2.667, respectively, P < 0.03). Conclusion The annual equivalent doses to the eye lens are relatively high in interventional radiologists, some of whom may have values higher than the latest dose limit (20 mSv) suggested by the International Commission on Radiological Protection. Attention should be paid to operators performing PCI, and the workload optimization is necessary in practical operations to avoid unnecessary fluoroscopy time and reduce the eye lens doses of the operators.
4.Assessment of quality of life in patients with chronic Keshan disease and analysis of its influencing factors
Ping LI ; Lulu SUN ; SuQin YU ; Jian HE ; Jianye KANG ; Ping WANG ; Jianyun SHAO ; Xiaoyan CHEN ; Yanling WANG ; Yun WANG ; Li SU
Chinese Journal of Endemiology 2020;39(8):557-561
Objective:To evaluate the quality of life of patients with chronic Keshan disease, and to explore related influencing factors, in order to provide a theoretical basis for improving the quality of life of patients with chronic Keshan disease.Methods:According to the standard of "Diagnosis of Keshan Disease" (WS/T 210-2011), 110 patients with chronic Keshan disease treated in the Jingchuan People's Hospital, Pingliang City, Gansu Province were selected as the research subjects, and demographic and disease data of the patients were collected by questionnaire survey; the quality of life of patients was assessed by the Minnesota living with heart failure questionnaire (MLHFQ); and correlation analysis was used to analyze and explore the influencing factors of patients' MLHFQ score.Results:Among the 110 patients with chronic Keshan disease, 66 were males and 44 were females, aged (60.93 ± 8.22) years; the education level was mainly junior high school or below, accounting for 92.73% (102/110); average annual family income was 20 700 yuan; the cardio-thoracic ratio of the patient was 0.64 ± 0.09; the ejection fraction (EF) was (36.71 ± 7.55)%; the labor ability classification was mainly based on simple activities, accounting for 60.91% (67/110); and the cardiac function classification was mainly Grade Ⅲ, accounting for 67.27% (74/110). The total MLHFQ scores of chronic Keshan patients were (69.17 ± 16.14) points, and the scores of physical, emotional and other fields were (26.32 ± 6.70), (15.86 ± 4.96) and (26.94 ± 6.10) points, respectively. The total MLHFQ scores had statistically significant differences among patients with different education level, cardio-thoracic ratio, EF, labor ability classification, cardiac function classification and annual family income ( F=7.121, 6.236, 4.515, 3.427, 5.418, Z=2.346 , P < 0.05). The results of correlation analysis showed that educational level and labor ability classification were negatively correlated with scores in physical field and other fields ( r=- 0.302, - 0.206, - 0.343, - 0.285, P < 0.01), and annual family income was negatively correlated with scores in emotional field ( r=- 0.263, P < 0.01). The cardiac function classification was positively correlated with scores in physical and other fields ( r=0.233, 0.210, P < 0.05). Conclusions:The quality of life of patients with chronic Keshan disease is poor. The quality of life of patients is affected by their educational level, annual family income, labor ability classification, cardiac function classification, etc.
5.Analysis of postoperative pain in laparoscopic transabdominal preperitoneal and Lichtenstein repair of adult recurrent inguinal hernia
Huiming LIU ; Qing TIAN ; Yilei YUAN ; Suqin YU ; Honghua DING ; Yang WANG ; Honglei GAO ; Zuocheng SUN
Chinese Journal of Postgraduates of Medicine 2017;40(4):325-328
Objective To investigate the causes and prevention of postoperative pain of laparoscopic transabdominal preperitoneal (TAPP) and Lichtensteinrepair in the treatment of adult recurrent inguinal hernia.Methods Sixty adult recurrent inguinal hernia patients were enrolled in this study.They were divided into TAPP group and Lichtenstein group by random digits table,with 30 cases in each group.At 6 h Mter operation,the pain degree was evaluated by visual analogue scale (VAS) and compared between two groups.The level of VAS in TAPP group was (3.76 ± 1.47) scores,in Lichtenstein group was (6.36 ± 1.54) scores,and there was significant difference (t =-5.978,P =0.000).In TAPP group,pain was mainly moderate (17 cases,56.67%) and mild (11 cases,36.67%).In Lichtenstein group,pain was mainly moderate (14 cases,46.66%) and severe (13 cases,43.33%).Postoperative follow-up ranged from 6 to 48 months.No chronic pain appeared in TAPP group.There were 4 cases with chronic pain in Lichtenstein group,and the incidence rate of chronic pain was 13.3%.Conclusions The operation of TAPP in the treatment of recurrent inguinal hernia in adult patients has the advantage of shorter operation time,less postoperative pain,faster postoperative recovery,and can effectively reduce the incidence of postoperative pain.
6.Clinical comparative analysis of Laparoscopic transabdominal preperitoneal repair and path tension -free ;hernioplasty in the treatment of recurrent inguinal hernia in adults
Huiming LIU ; Qing TIAN ; Yilei YUAN ; Suqin YU ; Honghua DING ; Yang WANG ; Honglei GAO ; Zuocheng SUN
Chinese Journal of Primary Medicine and Pharmacy 2017;24(3):351-354
Objective To compare the clinical efficacy of laparoscopic repair of laparoscopic transabdominal preperitoneal(TAPP)and Lichtenstein tension-free repair herniorrhaphy in the treatment of recurrent inguinal hernia in adults,and to explore the clinical advantages of TAPP in the treatment of recurrent inguinal hernia.Methods A retrospective analysis was conducted in 54 adult patients with recurrent inguinal hernia from December 2010 to January 2015.The patients were randomly divided into TAPP group and Lichtenstein group.The operation time,intraoperative bleeding volume,postoperative hospitalization time,cost of hospitalization,postoperative complications,early postoperative pain and the recurrence of hernia were compared between the two groups.Results All patients were successfully completed surgery.The operation time of TAPP group (47.2 ±9.4)min was significantly shorter than (73.1 ±10.4)min of Lichtenstein group (t=-2.503,P=0.034).The median amount of bleeding during operation of TAPP group was 40(15 -110)ml,which was significantly less than 73(11 -130)ml in Lichtenstein group (t=-6.018,P=0.000). Postoperative hospital stay of TAPP group[(6.5 ±1.4)d]was shorter than (8.2 ±1.6)d of the Lichtenstein group (t=-2.613,P=0.028).Early postoperative pain score of TAPP group[(1.8 ±1.2)points]was better than (2.9 ± 1.4)points in Lichtenstein group (t=-7.006,P=0.000),the difference was statistically significant.However,the hospitalization cost of TAPP group[(8 842.8 ±415.2)yuan]was higher than (6 676.9 ±327.6)yuan of the Lichtenstein group,the difference was statistically significant(t=6.782,P<0.05).In TAPP group,2 cases had complications after operation,which were less than 5 cases of Lichtenstein group.Postoperative follow up ranged from 6 to 48 months,1 case of recurrence in Lichtenstein group,the recurrence rate was 3.8%.There was no recurrence in the TAPP group.Conclusion TAPP has the advantages of short operation time,less bleeding,rapid postoperative recovery,less postoperative pain and so on.It can be used as a recommended procedure for the treatment of recurrent inguinal hernia in adults.
7.Glycyrrhetinic acid inhibits the apoptosis of gastric mucosa cells in gastric ulcer rats
Junbo SUN ; Lu ZHAO ; Suqin SHI ; Zhenyuan KOU ; Aijuan LIU ; Tingting FU
Chinese Traditional Patent Medicine 2017;39(3):462-466
AIM To explore the effects of glycyrrhetinic acid on the gastric ulcer rats infected by Helicobacter pylori (Hp) and its action mechanism.METHODS Gastric ulcer rat models were induced by acetic acid stress and then followed by Hp infection.After treatment with low and high doses of glycyrrhetinic acid,the ulcer index,gastric acid and proteinase activities in gastric ulcer rats were analyzed.The effects of glycyrrhetinic acid on the expressions of BCL2 and Caspase-3,the GSK3β activity in gastric mucosa and gastric epithelial cells,and the cell apoptosis level were then detected.RESULTS Glycyrrhetinic acid reduced the ulcer index,gastric acid and proteinase activities in rats.Besides,the expression of BCL2 was significantly up-regulated by glycyrrhetinic acid in gastric mucosa and gastric epithelial cells,whereas the expression of Caspase-3,level of cell apoptosis,and GSK3β activity were significantly reduced.After the treatment with GSK3 β activator LY294002,the level of BCL2 was down-regulated,Caspase-3 expression was increased,and the level of cell apoptosis was enhanced.CONCLUSION Glycyrrhetinic acid promotes the healing of gastric ulcer infected by Hp via regulating GSK3β activity and inhibiting apoptosis of gastric epithelial cells.
8.Characterization and identification of three kinds of wood class medicine by fourier ;transform infrared spectroscopy
Lei QU ; Guijun ZHANG ; Suqin SUN ; Jingjuan WANG ; Yang LIU ; Jing ZHENG ; Yizhen GUO ; Yanan WU
International Journal of Traditional Chinese Medicine 2016;38(5):428-432
Objective Using infrared spectroscopy to analyze three kinds of lignum Chinese medicine to provide a theoretical basis for the establishment of medicinal overall quality evaluation system. Methods Functional groups identification, Fourier Transform-infrared spectroscopy(FT-IR) and the second derivative infrared spectroscopy (SD-IR) could be applicable to analyze and identify the overall chemical composition of three kinds of lignum Chinese medicine. Results The main chemical components of Aquilariae Lignum Resinatum (ALR), Dalbergiae Odoriferae Lignum (DOL) and Sappan Lignum (SL) were cellulose, lignin and aromatics. The main chemical compositions of Sappan Lignum (SL) were cellulose, lignin and aromatics. The differences in FT-IR and SD-IR of DOL and SL indicated that they had different aromatic compounds. Conclusion Infrared spectroscopy can be used as a simple and accurate quality control method of three kinds of lignum Chinese medicine.
9.Artemisinin attenuates intestinal epithelial barrier damage induced by LPS
Junbo SUN ; Lu ZHAO ; Suqin SHI ; Zhenyuan KOU ; Aijuan LIU ; Tingting FU
Chinese Journal of Pathophysiology 2016;32(7):1285-1290
[ ABSTRACT] AIM:To investigate the effect of artemisinin on lipopolysaccharide ( LPS)-induced intestinal epi-thelial barrier damage in IEC-6 cells and its molecular mechanism.METHODS:Cultured IEC-6 cells were divided to 5 groups:control group, LPS (100 mg/L) group and LPS +Artemisinin (30, 50 and 100μmol/L) groups.The cytotoxici-ty was detected by MTT assay.The releases of TNF-α, IL-1βand IL-6 in the IEC-6 cells were measured by ELISA.The transepithelial electrical resistance ( TER) was detected by electrical resistance tester, and the horseradish peroxidase (HRP) flux permeability were analyzed by a microplate reader.The expression of tight junction proteins, ZO-1, claudin-1 and occludin, and the expression of TLR4/MyD88/NF-κB at mRNA and protein levels were determined by RT-qPCR and Western blot.RESULTS:Artemisinin alone (up to 100 μmol/L) or in combination with LPS (100 mg/L) was not toxic to IEC-6 cells.Compared with control group, the releases of TNF-α, IL-1βand IL-6 in the culture supernatant of IEC-6 cells significantly increased after treatment with LPS.The expression of TLR4/MyD88/NF-κB was activated by LPS.LPS down-regulated the protein expression of ZO-1, claudin-1 and occludin.However, artemisinin treatment decreased the re-leases of TNF-α, IL-1βand IL-6 in the culture supernatant of IEC-6 cells.The expression of TLR4/MyD88/NF-κB at mR-NA and protein levels was gradually reduced after treatment with artemisinin.In addition, artemisinin upregulated the pro-tein expression of ZO-1, claudin-1 and occludin significantly (P<0.01) in a dose-dependent manner.CONCLUSION:Artemisinin attenuates LPS-induced intestinal epithelial barrier damage by inhibiting TLR4/MyD88/NF-κB activation in the IEC-6 cells.
10.Rapid analysis of astragalus and its extracts by infraredspectroscopy
Yizhen GUO ; Wenjing PANG ; Suqin SUN ; Jingjuan WANG ; Haozhong WU ; Yao XIAO ; Lina LU ; Li XIANG ; Yanfang YANG
International Journal of Traditional Chinese Medicine 2015;(5):431-434
Objective To provide effective reference for quality analysis of the chemical composition and extraction of astragalus separation process by comparing the extract of astragalus and it’s IR spectra. Methods The saponins and flavonoids in astragalus were firstly extracted by the method of circumfluence with ethanol as solvent and the residue of ethanol-extraction was then used to extract polysaccharides by distilled water. Fourier transform infrared spectroscopy (IR) combined with second derivative infrared spectroscopy was applied to quickly identify astragalus herbs powder, water extraction of astragalus, astragalus alcohol extraction and water extraction of the residue of ethanol-extraction. Results The powder and 70% ethanol extract, 80% ethanol extract were around at 1 735 cm-1 (carbonyl stretching vibration absorption peak) has a weak, broad absorption, while the absorption peak was less obvious in boiling water extraction. So the maln components of astragalus water extraction are polysaccharides and also contaln a small amount of water-insoluble flavonoids. Alcohol extraction malnly contalns saponins and flavonoids, and flavonoid extract volume increases with increasing alcohol concentration in a certaln range.Conclusion This method can be a quick and easy identification for astragalus and it’s extraction for its chemical composition class, and provide the basis for further research quality.

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