Solving nonnegative sparsity-constrained optimization via DC quadratic-piecewise-linear approximations

Journal of Global Optimization - In this paper, we propose a novel algorithm that is based on quadratic-piecewise-linear approximations of DC functions to solve nonnegative sparsity-constrained...     

Epoxy-based azo molecular glasses with four-arm architecture: Preparation,characterization and holographic recording

A series of epoxy-based azo molecular glasses with four-arm architecture was synthesized, characterized and applied to holographic recording.     

Infinitely many non-radial solutions for fractional Nirenberg problem

In this paper, the prescribed \(\sigma \)-curvature problem

$$\begin{aligned} P_{\sigma }^{g_0} u={\tilde{K}}(x)u^{\frac{N+2\sigma }{N-2\sigma }}, x\in {\mathbb {S}}^N,u>0 \end{aligned}$$

is considered. When \({\tilde{K}}(x)\) is some axis symmetric function on \({\mathbb {S}}^N\), by using singular perturbation method, it is proved that this problem possesses infinitely many non-radial solutions for \(0<\sigma \le 1\) and \(N> 2\sigma +2\).

     

Electronic structures of low-lying Bu excited states in trans-oligoenes: Pariser-Parr-Pople and ab initio calculations

Two lowest-lying excited singlets with B(u) symmetry of all-trans-oligoenes, the well-known ionic 1(1)B(u)(+) state as well as the "hidden" ionic-covalent-mixed 1(1)B(u)(-) state, are calculated within both the Pariser-Parr-Pople (PPP) model at full configuration interaction (FCI) level and ab initio methods. The vertical excitation energies as well as wavefunctions from PPP-FCI calculations are found to be in good agreement with those from high-level multi-reference methods, such as multi-reference complete active space self-consistent field (CASSCF) with second order perturbative corrections (CASPT2), multi-reference M?ller-Plesset perturbation theory (MRMP), and complete active space valence bond theory (CASVB). The oscillator strengths from PPP calculation are in good agreement with spectroscopy experiments. The relatively small oscillator strength of 1(1)B(u)(-) is due to the approximate electron-hole symmetry of this state. In addition, the bond lengths in both states are found to show remarkable relativity with the bond orders calculated with ground state geometries, which suggests a possible strategy for initial guess in geometry optimization of excited states.     

关于求解带线性互补约束的数学规划问题正则方法的一个注记

本文主要研究在某些较弱条件下求解带线性互补约束的数学规划问题(MPLCC)正则方法的收敛性.若衡约束规划线性独立约束规范条件(MPEC-LICQ)在由正则方法产生的点列的聚点处成立,且迭代点列满足二阶必要条件,同时,若比在文[7]中渐近弱非退化条件Ⅰ更弱的渐近弱非退化条件Ⅱ在聚点处也成立,那么所有这些聚点都是B-稳定点.此外,在弱MPEC-LICQ,二阶必要条件及渐近弱退化条件Ⅱ下,我们仍能证明通过正则方法所得的聚点都是B-稳定点.     

人工神经网络在配煤过程状态建模中的应用研究

本文详细介绍了人工神经网络应用于状态建模的方法．对神经网络应用中的一些难点提出了切实可行且有效的解决措施，并举例作了应用示范．同时还介绍了神经网络方法应用于优化动力配煤的情况，并就神经网络方法在优化动力配煤中的进一步应用作了展望．     

翘嘴鳜铜锌超氧化物歧化酶基因的分子克隆与原核表达

运用RT-PCR和RACE-PCR技术克隆了翘嘴鳜(Siniperca chuatsi)铜锌超氧化物歧化酶(命名为ScCu/Zn-SOD)基因,该基因的cDNA序列全长为804bp,开放阅读框为465bp,编码154个氨基酸。氨基酸序列中含2个Cu/Zn-SOD标签序列、7个铜锌金属结合位点、2个半胱氨酸位点和1个N-糖基化位点;其与胞内Cu/Zn-SOD(icCu/Zn-SOD)和胞外Cu/Zn-SOD(ecCu/Zn-SOD)氨基酸序列的同源性分别为60.13%~92.21%和33.77%~42.21%。在系统进化树中,ScCu/Zn-SOD与其它物种的icCu/Zn-SOD聚成一支。ScCu/Zn-SOD的蛋白晶体结构主要由2个α螺旋和8个β折叠组成,呈β折叠构象,通过结合1个Cu2+和1个Zn2+构成其酶活性中心。ScCu/Zn-SOD的mRNA在翘嘴鳜肌肉、鳃、肝脏和肾脏等组织中均有表达,且鳃中的相对表达量最高。将该基因编码蛋白序列与pET-30a表达载体重组,热激转入大肠杆菌BL21(DE3)感受态细胞中诱导表达,SDS-PAGE检测发现诱导后菌液的超声上清中有可溶性重组蛋白表达。     

Photochemical properties of carotenoids: what can we get from the VB model?

Photo-isomerization and anti-oxidation of carotenoids have been studied for many years be-cause of their diverse roles in photobiology, photochemistry and photomedicine[1—6]. The experi-mental works revealed that the changes in the geometry between S0 (the ground state) and T1 (the first triplet state) states are very important for the two processes. Meanwhile, theoretical studies have also been carried out to investigate these processes. The polyenes have usually been used as the models for…