The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied.Three different alignment methods were used to get the models of the comparative molecular field...The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied.Three different alignment methods were used to get the models of the comparative molecular field analysis(CoMFA),the comparative molecular similarity indices analysis(CoMSIA),and the hologram quantitative structure?activity relationship(HQSAR).The statistical results from the established models show believable predictivity based on the cross-validated value(q2>0.5) and the non-validated value(r2>0.9),The analysis on contour maps of CoMFA and CoMSIA models suggests that hydrophobic and hydrogen-bond acceptor fields are important factors that affect the AT1 antagonistic activity of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives besides the steric and electrostatic fields,The structural modification information from different atom contributions in the HQSAR model is in agreement with that in the 3D-QSAR models.展开更多
The C-C method was adopted to analyze the nonlinear characteristics of masseter electromyography （EMG） signals and the chaotic degree by the largest Lyapunov exponent （LLE） of different genders and sides. First, t...The C-C method was adopted to analyze the nonlinear characteristics of masseter electromyography （EMG） signals and the chaotic degree by the largest Lyapunov exponent （LLE） of different genders and sides. First, the embedding dimension and the delay time were obtained through this method, then the phase space was reconstructed to resume the chaotie attractor and determine the LLE. The result shows that the trajectory of attractor is denser than Chen＇s attractor, and the LLE is positive, which means that not only the signal has the character of chaos, but also the chaotic degree of masseter EMG is relatively high. According to the value of the LLE, the chaotic degree of men＇s masseter EMG is higher than that of women＇s; when the dentition is normal, the chaotic degree of two sides is almost the same. Then, a conclusion can be deduced that if the LLE of both sides are in great difference, the unilateral mastication is likely to exist, which means that the nonlinear characteristics of masseter EMG can be applied to predict the unilateral mastication.展开更多
基金Project(20876180) supported by the National Natural Science Foundation of China
文摘The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied.Three different alignment methods were used to get the models of the comparative molecular field analysis(CoMFA),the comparative molecular similarity indices analysis(CoMSIA),and the hologram quantitative structure?activity relationship(HQSAR).The statistical results from the established models show believable predictivity based on the cross-validated value(q2>0.5) and the non-validated value(r2>0.9),The analysis on contour maps of CoMFA and CoMSIA models suggests that hydrophobic and hydrogen-bond acceptor fields are important factors that affect the AT1 antagonistic activity of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives besides the steric and electrostatic fields,The structural modification information from different atom contributions in the HQSAR model is in agreement with that in the 3D-QSAR models.
文摘The C-C method was adopted to analyze the nonlinear characteristics of masseter electromyography （EMG） signals and the chaotic degree by the largest Lyapunov exponent （LLE） of different genders and sides. First, the embedding dimension and the delay time were obtained through this method, then the phase space was reconstructed to resume the chaotie attractor and determine the LLE. The result shows that the trajectory of attractor is denser than Chen＇s attractor, and the LLE is positive, which means that not only the signal has the character of chaos, but also the chaotic degree of masseter EMG is relatively high. According to the value of the LLE, the chaotic degree of men＇s masseter EMG is higher than that of women＇s; when the dentition is normal, the chaotic degree of two sides is almost the same. Then, a conclusion can be deduced that if the LLE of both sides are in great difference, the unilateral mastication is likely to exist, which means that the nonlinear characteristics of masseter EMG can be applied to predict the unilateral mastication.
