Urinary tract infections (UTIs) are common infections caused by normal skin or rectum bacteria that get into the urethra and infect the urinary tract. Although the infection can affect various parts of the tract, blad...Urinary tract infections (UTIs) are common infections caused by normal skin or rectum bacteria that get into the urethra and infect the urinary tract. Although the infection can affect various parts of the tract, bladder infections are the most prevalent kind. Uropathogenic Escherichia Coli (UPEC) is the most common pathogen associated with UTI development. Therefore, inhibiting the UPEC protein target (PDB ID: 8BVD) appears to be a promising therapeutic strategy. Therefore, in this study, molecular docking and dynamics were conducted to examine the antibacterial activity of Aloe barbadensis miller against UPEC bacteria. The Aloe barbadensis miller natural compounds licochalcone A, palmidin B and palmidin C were downloaded from PubChem with amoxicillin, which was used as a control drug and studied against the target molecule. The potential parameters examined were the docking scores, absorption, distribution, metabolism, excretion, toxicity (ADMET), bioavailability, root mean square deviation (RMSD), root mean square fluctuation (RMSF), hydrogen bonding, radius of gyration, and potential energy of the system. Docking scores showed that all ligands demonstrated an admirable candidature as an inhibitor to 8BVD molecule, and the score hierarchy is licochalcone A (-6.4 kcal/mol), palmidin C (-6.1 kcal/mol), palmidin B (-6.0 kcal/mol), and amoxicillin (-5.9 kcal/mol). All ligands appeared to have good drug-like properties and oral bioavailability. Molecular dynamic studies showed that all ligands exhibited an excellent nominee as inhibitors in their vicinity at 20 ns. However, there is a relatively high fluctuation of palmidin B compared with other compounds, which seems to be more stable. This work suggests that the selected phytoconstituents could be used as inhibitors of the 8BVD protein in the fight against UTIs. However, further investigation on the clinical and experimental validation of UTI treatment’s specific mechanisms and effects is still welcomed.展开更多
L波段数字航空通信系统(L band digital aeronautical communication system,LDACS)是未来航空宽带通信重要的基础设施之一,针对LDACS信号容易受到相邻波道大功率测距仪(distance measuring equipment,DME)信号干扰的问题,提出了联合正...L波段数字航空通信系统(L band digital aeronautical communication system,LDACS)是未来航空宽带通信重要的基础设施之一,针对LDACS信号容易受到相邻波道大功率测距仪(distance measuring equipment,DME)信号干扰的问题,提出了联合正交投影干扰抑制与单快拍稀疏分解的波达方向(direction of arrival,DOA)估计方法。通过子空间投影抑制DME干扰,然后使用单快拍数据构建伪协方差矩阵,对伪协方差矩阵求高阶幂,之后进行奇异值分解,并利用约束条件求解稀疏解得到期望信号来向的估计值。所提方法使用高阶伪协方差矩阵降低了噪声影响,仅用单快拍就可以准确估计LDACS信号的入射方向。仿真结果表明,改进单快拍高级幂(improved single snapshot high order power,ISS-HOP)L1-SVD算法的估计精度优于ISS-HOP-MUSIC算法。该方法可以有效抑制DME干扰,提高OFDM接收机性能。展开更多
针对L波段数字航空通信系统(L-band digital aeronautic communication system,LDACS)可用频谱资源有限且易受大功率测距仪(distance measuring equipment,DME)信号干扰的问题,提出一种基于降维循环谱和残差神经网络的频谱感知方法。首...针对L波段数字航空通信系统(L-band digital aeronautic communication system,LDACS)可用频谱资源有限且易受大功率测距仪(distance measuring equipment,DME)信号干扰的问题,提出一种基于降维循环谱和残差神经网络的频谱感知方法。首先理论推导分析了DME信号的循环谱特征;然后利用Fisher判别率(Fisher discriminant rate,FDR)提取循环频率能量最大的向量,通过主成分分析(principal component analysis,PCA)进行预处理特征增强;最后给出数据处理后的循环谱向量与卷积神经网络相结合的实现过程,实现了DME信号的有效检测。仿真结果表明,该方法对噪声不敏感,当信噪比不低于-15 dB时,平均检测概率大于90%。当信噪比不低于-14 dB,检测概率接近100%。展开更多
文摘Urinary tract infections (UTIs) are common infections caused by normal skin or rectum bacteria that get into the urethra and infect the urinary tract. Although the infection can affect various parts of the tract, bladder infections are the most prevalent kind. Uropathogenic Escherichia Coli (UPEC) is the most common pathogen associated with UTI development. Therefore, inhibiting the UPEC protein target (PDB ID: 8BVD) appears to be a promising therapeutic strategy. Therefore, in this study, molecular docking and dynamics were conducted to examine the antibacterial activity of Aloe barbadensis miller against UPEC bacteria. The Aloe barbadensis miller natural compounds licochalcone A, palmidin B and palmidin C were downloaded from PubChem with amoxicillin, which was used as a control drug and studied against the target molecule. The potential parameters examined were the docking scores, absorption, distribution, metabolism, excretion, toxicity (ADMET), bioavailability, root mean square deviation (RMSD), root mean square fluctuation (RMSF), hydrogen bonding, radius of gyration, and potential energy of the system. Docking scores showed that all ligands demonstrated an admirable candidature as an inhibitor to 8BVD molecule, and the score hierarchy is licochalcone A (-6.4 kcal/mol), palmidin C (-6.1 kcal/mol), palmidin B (-6.0 kcal/mol), and amoxicillin (-5.9 kcal/mol). All ligands appeared to have good drug-like properties and oral bioavailability. Molecular dynamic studies showed that all ligands exhibited an excellent nominee as inhibitors in their vicinity at 20 ns. However, there is a relatively high fluctuation of palmidin B compared with other compounds, which seems to be more stable. This work suggests that the selected phytoconstituents could be used as inhibitors of the 8BVD protein in the fight against UTIs. However, further investigation on the clinical and experimental validation of UTI treatment’s specific mechanisms and effects is still welcomed.
文摘L波段数字航空通信系统(L band digital aeronautical communication system,LDACS)是未来航空宽带通信重要的基础设施之一,针对LDACS信号容易受到相邻波道大功率测距仪(distance measuring equipment,DME)信号干扰的问题,提出了联合正交投影干扰抑制与单快拍稀疏分解的波达方向(direction of arrival,DOA)估计方法。通过子空间投影抑制DME干扰,然后使用单快拍数据构建伪协方差矩阵,对伪协方差矩阵求高阶幂,之后进行奇异值分解,并利用约束条件求解稀疏解得到期望信号来向的估计值。所提方法使用高阶伪协方差矩阵降低了噪声影响,仅用单快拍就可以准确估计LDACS信号的入射方向。仿真结果表明,改进单快拍高级幂(improved single snapshot high order power,ISS-HOP)L1-SVD算法的估计精度优于ISS-HOP-MUSIC算法。该方法可以有效抑制DME干扰,提高OFDM接收机性能。
