Could chroman-4-one derivative be a better inhibitor of PTR1? – Reason for the identified disparity in its inhibitory potency in Trypanosoma brucei and Leishmania major

Most notable Kinetoplastids are of the genus Trypanosoma and Leishmania, affecting several millions of humans in Africa and Latin America. Current therapeutic options are limited by several drawbacks, hence the need to develop more efficacious inhibitors. An investigation to decipher the mechanism behind greater inhibitory potency of a chroman-4-one derivative (compound 1) in Trypanosoma brucei pteridine reductase 1 (TbPTR1) and Leishmania major pteridine reductase 1 (LmPTR1) was performed. Estimation of ΔG_bind revealed that compound 1 had a greater binding affinity in TbPTR1 with a ΔG_bind value of −49.0507 Kcal/mol than −29.2292 Kcal/mol in LmPTR1. The ΔGbind in TbPTR1 were predominantly contributed by “strong” electrostatic energy compared to the “weak” van der Waals in LmPTR1. In addition to this, the NADPH cofactor contributed significantly to the total energy of TbPTR1. A characteristic weak aromatic π interaction common in PTR1 was more prominent in TbPTR1 than LmPTR1. The consistent occurrence of high-affinity conventional hydrogen bond interactions as well as a steady interaction of crucial active site residues like Arg14/Arg17, Ser95/Ser111, Phe97/Phe113 in TbPTR1/LmPTR1 with chroman-4-one moiety equally revealed the important role the moiety played in the activity of compound 1. Overall, the structural and conformational analysis of the active site residues in TbPTR1 revealed them to be more rigid than LmPTR1. This could be the mechanism of interaction TbPTR1 employs in exerting a greater potency than LmPTR1. These findings will further give insight that will be assistive in modifying compound 1 for better potency and the design of novel inhibitors of PTR1.     

An M/G/1 Retrial Queueing System with Two-Phase Service and Preemptive Resume

An M/G/1 retrial queueing system with additional phase of service and possible preemptive resume service discipline is considered. For an arbitrarily distributed retrial time distribution, the necessary and sufficient condition for the system stability is obtained, assuming that only the customer at the head of the orbit has priority access to the server. The steady-state distributions of the server state and the number of customers in the orbit are obtained along with other performance measures. The effects of various parameters on the system performance are analysed numerically. A general decomposition law for this retrial queueing system is established.     

Schwinger boson mapping of SO(8) fermion model

The Schwinger representation of the SO(8) fermion pair algebra in terms ofd and quasispin vector (u, s, v) bosons is used in deriving a microscopic boson coherent state having both particle-hole and pair excitations. The coherent state is the exact boson image of the HFB variational solution. We can study the shape phase transition and pairing behaviour of the nuclear ground states using the coherent states.     

部分相干电磁光束在湍流介质中传输的偏振变化

 从推广的惠更斯-菲涅尔原理出发，推导出了部分相干电磁光束的偏振态在湍流介质中传输的表达式。并以电磁高斯-谢尔模型(EGSM)光束为例，研究了湍流对电磁高斯-谢尔模型光束偏振态的影响。研究结果表明，对于轴上点，湍流介质的折射率结构常数越大，偏振度趋于最大值的速度越快，达到的最大值越小；光斑越大，偏振度达到最大值的位置离光源越远，在光斑增大的过程中，偏振度所达到的极大值会先增大后减小，最后保持与光源相同的偏振度不变。对于轴外点，一个固定的z，光的偏振度随着离轴距离的增大而逐渐下降，并最终等于零。折射率结构常数越大，偏振度随离轴距离的增大而下降得越缓慢；光斑越大，偏振度随离轴距离的增大下降得越快。     

机载稳瞄控制系统模型及仿真分析

瞄准线高精度稳定是机载光电稳瞄系统的主要指标和关键技术。根据四框架稳瞄系统的工作原理，以手动跟踪模式为主要研究对象，建立了稳瞄伺服控制系统模型。考虑到直升机扰动特点，对线扰动、角速率扰动、摩擦力矩、弹性力矩等各种扰动因素也建立相应的数学模型，同时在各种扰动因素作用下利用Matlab对机载高精度稳瞄系统的手动跟踪控制模式进行了仿真设计分析和理论研究，设计出适合的控制器。此模型在实际系统中获得验证，对稳瞄伺服控制系统的设计具有参考意义。     

Dominant modes of submerged thin cylindrical shells

The relationship between the dominant mode of the submerged thin cylindrical shell and the flexural wave velocity is investigated. The natural frequency corresponding to the vibration mode is obtained as the solution of characteristic equation of thin cylindrical shell. However, it is difficult to estimate the dominant mode, especially if two or more vibration modes are involved. To estimate the dominant mode of a thin shell in vacuo, the concept of “modified bending stiffness” has been introduced. In this paper, the concept of modified bending stiffness is extended to estimate the dominant mode of a submerged thin cylindrical shell. The dominant mode of a submerged thin cylindrical shell is theoretically discriminated from the other mode based on the smallness of the modified bending stiffness of the submerged shell. The validity of our theory is confirmed by a good agreement between theoretical and experimental results on flexural wave velocity.     

《光谱学与光谱分析》2007年征订启事

The authors achieved the temporal coherent control in an Er^3＋ doped telluride glass, one kind of disordered solids. The upconversion at 670 nm was modulated and the dephasing time was simulated as 300 fs. Moreover, the photon echo signal gave the dephasing time due to the phonon interaction. The agreement between the two data indicates that the interaction between the wavepacket and the phonon leads to the fast disappearance of wavepackets interference, which is helpful for the tech- nique to be applied to the disordered solids.     

一种新的奇偶非线性相干态的位相统计性质

根据Pegg-Barnett位相定义, 计算了一种新的奇偶非线性相干态的位相概率分布函数, 利用数值计算方法研究了它们的位相统计性质. 数值计算结果表明：新的奇偶非线性相干态的位相特性与通常奇偶相干态的位相特性截然不同.