1.Synthesis, characterization and molecular dynamics simulation of layered double hydroxides intercalated with aspartic acid
Yan SHEN ; Guoxiang PAN ; Bo XU ; Minhong XU
Journal of China Pharmaceutical University 2025;56(3):329-335
Traditional experimental methods are insufficient in the study of layered double hydroxides (LDHs) supramolecular structure and hydration expansion performance, and information on interlayer anionic arrangement and structural water molecules cannot be obtained. Aspartic acid intercalated magnesium aluminum hydrotalcite was synthesized using coprecipitation and ion exchange. The structure of hydrotalcite precursor and its aspartic acid composite materials was characterized by X-ray powder diffraction, differential thermal analysis, and infrared spectroscopy, and Materials Studio software was used to simulate the molecular dynamics of microstructure and hydration properties of LDHs intercalated with the aspartic acid drug. The prepared composite material had a regular layered structure and a single crystal phase. After intercalation with aspartic acid, the interlayer spacing increased from 0.84 nm to 1.13−1.17 nm; after intercalation, the thermal decomposition temperature of aspartic acid increased from 249 °C to 334 °C, greatly improving its thermal stability. The interlayer spacing of the intercalated hydrotalcite obtained from the experiment was close to the molecular dynamics simulation results when Nw=3−4. As more water molecules were inserted between the layers, the greater the interlayer distance became. Hydration energy increased gradually and tended to a certain value. The total number of hydrogen bonds increased gradually, the hydrogen bonds between laminates and anions decreased gradually, but the hydrogen bonds between laminates and water molecules increased gradually. The simulation results are close to the experimental results, which can lay a foundation for the design and synthesis of LDHs-based drug composites.
2.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
3.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
4.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
5.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
6.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
7.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
8.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
9.Construction and Validation of the Prediction Model for the First Cesarean Section Delivery in Multiparas
Xiaopeng XU ; Yawen ZHANG ; Minhong SHEN ; Qin HUANG
Journal of Practical Obstetrics and Gynecology 2024;40(8):657-663
Objective:To establish a predictive model of the first cesarean delivery in multiparous women based on the situation of two consecutive pregnancies.Methods:The data of patients with two consecutive deliv-eries of single live birth and the previous delivery was vaginal delivery in the First Affiliated Hospital of Soochow U-niversity during the second delivery time range from January 1,2018 to December 31,2021 were retrospectively analyzed.According to whether the second pregnancy occurred cesarean section,the patients were divided into two groups(vaginal delivery group and cesarean section group).Univariate,stepwise,and multiple Logistic re-gression analyses were used to screen the influencing factors of multipara's first cesarean section delivery,and the prediction model was established.R language was used to build the model's nomogram and calibration curve.The bootstrap resampling method was used for internal verification.After establishing the model,clinical data of patients with two consecutive births of single live birth between January 1,2022 and April 1,2023 were retrospec-tively collected for external verification of the model.Results:①A total of 2709 patients were included in this study for modeling,of which 6.31%(171/2709)underwent cesarean section for the first time.603 cases were included for external verification.②According to univariate,stepwise and multivariate Logistic regression analysis,all the variables affecting the first delivery by cesarean section were screened out,including:abnormal labor in previous labor,age of current delivery,assisted reproductive technology,hypertension disorder complicating pregnancy,pregnancy with thrombocytopenia,oligohydramnios,excessive amniotic fluid,macrosomia,fetal growth restriction,abnormal fetal position,fetal distress,all of the above variables P<0.05 and incorporated into the final prediction model.③The AUC of this model was 0.949(95%CI 0.928-0.969),and the calibration curve showed that the model intercept was 0 and the slope was 1.Hosmer-Lemeshow test had a P>0.05,indicating that the model had a high accuracy.④The AUC of external validation was 0.958,the slope of the calibration curve was 0.972,and the Hosmer-Lemeshow test had a P of 0.49.Conclusions:The prediction model of the first delivery by cesarean section during the second pregnancy has been established.The prediction efficiency of the model is good,and it can provide a tool for the individualized evaluation of menstrual women in clinical work.
10.Adverse outcomes of hypertensive disorders of pregnancy: development and validation of a predictive model
Fangcan SUN ; Bing HAN ; Youguo CHEN ; Yan GAO ; Minhong SHEN ; Wen ZHONG
Chinese Journal of Perinatal Medicine 2022;25(3):169-178
Objective:To develop and validate a predictive model for adverse outcomes in women with hypertensive disorders of pregnancy (HDP).Methods:We retrospectively analyzed the clinical data of patients diagnosed with HDP and delivered at the First Affiliated Hospital of Soochow University or Sichuan Provincial Maternity and Child Health Care Hospital between May 1, 2011, and April 30, 2019. These patients were categorized as the adverse outcome group or the control group with adverse outcomes within 48 h after admission. Univariate analysis, least absolute shrinkage, selection operator (LASSO), and multivariable logistic regression were employed to analyze factors influencing the adverse outcomes and develop a predictive model. The receiver operating characteristic (ROC) curve and calibration plot was used to assess the predictive performance. Bootstrapping was used for the internal validation and the retrospective dataset of patients with HDP from the First Affiliated Hospital of Soochow University from May 1, 2019, to April 30, 2020, for the external validation. A graphic nomogram was created through R software based on the model.Results:(1) Of the 2 978 HDP patients who were included in the development set, 356 were in the adverse outcome group, accounting for 12.0%; of the 233 patients who were included in the external validation set, 40 presented with adverse outcomes within 48 h after admission, accounting for 17.2%. (2) Nine optimal predictors were identified based on the LASSO regression analysis and multivariable logistic regression, consisting of gestational age on admission, routine prenatal care, number of symptoms, mean arterial pressure, platelet count, fibrinogen, albumin, serum urea, and serum creatinine, based on which the logistic predictive model was established. (3) The ROC curve for this predictive model achieved an area under the curve (AUC) of 0.878 (95% CI: 0.858-0.897), and the ideal cut-off value for predicted probability was 0.136, with a sensitivity of 0.778 (95% CI: 0.731-0.820) and specificity of 0.848(95% CI: 0.834-0.862). The model was well-calibrated as the Hosmer-Lemeshow test showed that P>0.05. The calibration plot of the model had a slope of 1 and an intercept of 0. (4) The model showed good consistency in the internal validation and had an AUC of 0.872 (95% CI: 0.807-0.937) in the external validation. The Hosmer-Lemeshow test showed that the P value was >0.05, and the calibration slope was 1.001. (5) A nomogram was constructed for convenient clinical use. Conclusion:A relatively accurate prediction model for adverse outcomes in HDP patients was established, which could be used as a valuable quantitative tool for assessing HDP-related complications.

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