基于辅助视觉飞机空中加油对接优化过程仿真

研究飞机空中加油对接过程控制,提高对接准确性.飞机空中加油过程处在全程高速运动中,由于受油机在加油时处在前方大型加油机的尾流中受到强烈扰动,端口对接处在动态变化,传统的对接方法需要准确判断高速移动端口的准确位置,一旦尾流中受到强烈扰动,导致颠簸,对接误差距离计算较大.提出辅助视觉的飞机空中加油对接过程控制方法.统计飞机空中加油辅助视觉图像出现共现的频率,计算对应图像在所有图像中的共现度,通过运算获取对应图像的权重,实现关键帧图像定位,运用图像中心点空间位置,建立近距空中加油时的尾流流场对受油飞机的气动影响的数学模型,完成飞机空中加油接口的定位.实验结果表明,利用改进算法进行飞机空中加油对接过程控制,在飞机飞行震动较大的情况下,对接控制的准确性高于传统算法.     

应用改进型遗传算法进行药物分子对接设计

文章建立了一种约束优化的演化模型,并构造出求解此模型的多种群空间收缩遗传算法,将信息熵概念引入进化过程,控制各种群寻优搜索时解空间的收缩。该算法用种群的多样性避免遗传进化的早熟现象,并以空间收缩尺度作为停机判椐,有效地控制了算法的收敛。利用基于小种群的多种群进化策略,在保证种群多样性的前提下,极大程度地减少了计算量,提高了计算效率。数值算例表明,熵的介入增强了随机搜索类进化算法的寻优目的性,使收敛过程平稳且迅速。算例表明此算法能有效的应用于药物分子对接设计。     

ADRC Law of Spacecraft Rendezvous and Docking in Final Approach Phase

This article addresses the high-precision coordinated control problem of spacecraft autonomous rendezvous and docking, which couple the relative position and attitude in the final approach phase. The coupled dynamics equations of the tracking-target spacecrafts is derived by using dual quaternions. Then, a cascade Active Disturbance Rejection Controller is proposed, by which the extended state observer and nonlinear error feedback law is designed, the virtual value on which the actual control volume tracking is calculated to ensure the finite time convergence of the relative position and attitude tracking errors in spite of parametric uncertainties and external disturbances. Finally, numerical simulations are performed to demonstrate that the proposed approaches, which can avoid the coupling effect and restrain the interference, can track the target spacecraft in a relatively short period of time, and the control precision can satisfy the requirements of docking.     

基于图论的化学分子数据挖掘研究

近年来,人们提出了很多频繁图模式挖掘的算法。首先分析了贪婪搜索策略,然后对各种不同的图数据挖掘的方法进行比较。受购物篮分析的影响,基于ILP方法引起了人们的重视。如何修改各种不同的图数据挖掘方法以适用化学分子数据的挖掘是人们研究的热点问题。因为化学分子不仅是标准的图结构,而且它有典型的频繁环和链结构,还有一些频繁出现的代表原子类型的结点,所以在这个领域有一些特殊问题需要考虑。     

Unravel four hairpins!

DNA machines consisting of consecutive hairpins, which we have previously described, have various potential applications in DNA computation. In the present study, a 288-base DNA machine containing four consecutive hairpins was successfully constructed by ligation and PCR. PAGE and fluorescence spectroscopy experiments verified that all four hairpins were successfully opened by four opener oligomers, and that hairpin opening was dependent on the proper openers added in the correct order. Quantitative analysis of the final results by fluorescence spectroscopy indicated that all four hairpins were open in about 1/4 to 1/3 of the DNA machines.     

可满足问题的分子信标计算模型

分子信标（Molecular Beacon）是一种发夹状的荧光探针,它可以特异地和那些与分子信标的环（Loop）互补的核酸靶序列杂交,具有单个碱基错配的检测能力．肽核酸（Peptide Nucleic Acid）是人工合成的核酸（DNA）的类似物．PNA骨架为酰胺键,与DNA补链杂交更稳定,可以阻止聚合酶延伸反应．文中将可满足问题的约束变量编码于分子信标的环部识别区,通过分子信标与使得给定范式为真的变量的PNA补链杂交,再利用PNA链可以阻止聚合酶延伸反应的性质,用限制性内切酶EcoRI降解对应于非解的分子信标,最后通过加热表面使分子信标构形发生变化,产生荧光读解．提出的可满足问题的分子信标计算模型具有可靠性高、无需观察和记录计算的中间结果、读解简单等优点．     

一种面向AUV水下对接的双目视觉测距方法

水下对接技术是AUV的研究前沿和关键技术;AUV要实现水下对接,就必须实时准确地获取相对于对接目标的距离信息;根据水下对接中成像的特点,提出了一种基于纹理控制的金字塔互相关双目视觉测距算法,在实验室模拟海洋环境中进行圆形对接目标的测距实验,结果表明该算法能够精确地提取对接目标并实时给出有效的距离信息;进一步通过实验定量地说明了本算法中各项技术对于提高实时性的贡献;上述实验初步证明了本算法对于AUV水下对接的适用性。     

Molecular modeling optimization of anticoagulant pyridine derivatives

Intravascular clotting remains a major health problem in the United States, the most prominent being deep vein thrombosis, pulmonary embolism and thromboembolic stroke. Previous reports on the use of pyridine derivatives in cardiovascular drug development encourage us to pursue new types of compounds based on a pyridine scaffold. Eleven pyridine derivatives (oximes, semicarbazones, N-oxides) previously synthesized in our laboratories were tested as anticoagulants on pooled normal plasma using the prothrombin time (PT) protocol. The best anticoagulant within the oxime series was compound AF4, within the oxime N-oxide series was compound AF4-N-oxide, and within the semicarbazone series, compound MD1-30Y. We also used a molecular modeling approach to guide our efforts, and found that there was good correlation between coagulation data and computational energy scores. Molecular docking was performed to target the active site of thrombin with the DOCK v5.2 package. The results of molecular modeling indicate that improvement in anticoagulant activities can be expected by functionalization at the three-position of the pyridine ring and by N-oxide formation. Results reported here prove the suitability of DOCK in the lead optimization process.     

Exploring the Molecular Interactions of 7,8-Dihydroxyflavone and Its Derivatives with TrkB and VEGFR2 Proteins

7,8-Dihydroxyflavone (7,8-DHF) is a TrkB receptor agonist, and treatment with this flavonoid derivative brings about an enhanced TrkB phosphorylation and promotes downstream cellular signalling. Flavonoids are also known to exert an inhibitory effect on the vascular endothelial growth factor receptor (VEGFR) family of tyrosine kinase receptors. VEGFR2 is one of the important receptors involved in the regulation of vasculogenesis and angiogenesis and has also been implicated to exhibit various neuroprotective roles. Its upregulation and uncontrolled activity is associated with a range of pathological conditions such as age-related macular degeneration and various proliferative disorders. In this study, we investigated molecular interactions of 7,8-DHF and its derivatives with both the TrkB receptor as well as VEGFR2. Using a combination of molecular docking and computational mapping tools involving molecular dynamics approaches we have elucidated additional residues and binding energies involved in 7,8-DHF interactions with the TrkB Ig2 domain and VEGFR2. Our investigations have revealed for the first time that 7,8-DHF has dual biochemical action and its treatment may have divergent effects on the TrkB via its extracellular Ig2 domain and on the VEGFR2 receptor through the intracellular kinase domain. Contrary to its agonistic effects on the TrkB receptor, 7,8-DHF was found to downregulate VEGFR2 phosphorylation both in 661W photoreceptor cells and in retinal tissue.     

Repositioning of Thiourea-Containing Drugs as Tyrosinase Inhibitors

Tyrosinase catalyzes two distinct sequential reactions in melanin biosynthesis: The hydroxylation of tyrosine to dihydroxyphenylalanine (DOPA) and the oxidation of DOPA to dopaquinone. Developing functional modulators of tyrosinase is important for therapeutic and cosmetic purposes. Given the abundance of thiourea moiety in known tyrosinase inhibitors, we studied other thiourea-containing drugs as potential tyrosinase inhibitors. The thiourea-containing drugs in clinical use were retrieved and tested for their ability to inhibit tyrosinase. We observed that methimazole, thiouracil, methylthiouracil, propylthiouracil, ambazone, and thioacetazone inhibited mushroom tyrosinase. Except for methimazole, there was limited information regarding the activity of other drugs against tyrosinase. Both thioacetazone and ambazone significantly inhibited tyrosinase, with IC₅₀ of 14 and 15 μM, respectively. Ambazone decreased melanin content without causing cellular toxicity at 20 μM in B16F10 cells. The activity of ambazone was stronger than that of kojic acid both in enzyme and melanin content assays. Kinetics of enzyme inhibition assigned the thiourea-containg drugs as non-competitive inhibitors. The complex models by docking simulation suggested that the intermolecular hydrogen bond via the nitrogen of thiourea and the contacts via thione were equally important for interacting with tyrosinase. These data were consistent with the results of enzyme assays with the analogues of thiourea.