In Silico Investigation of Potential Applications of Gamma Carbonic Anhydrases as Catalysts of CO2 Biomineralization Processes: A Visit to the Thermophilic Bacteria Persephonella hydrogeniphila,Persephonella marina,Thermosulfidibacter takaii,and Thermus thermophilus

Carbonic anhydrases (CAs) have been identified as ideal catalysts for CO₂ sequestration. Here, we report the sequence and structural analyses as well as the molecular dynamics (MD) simulations of four γ-CAs from thermophilic bacteria. Three of these, Persephonella marina, Persephonella hydrogeniphila, and Thermosulfidibacter takaii originate from hydrothermal vents and one, Thermus thermophilus HB8, from hot springs. Protein sequences were retrieved and aligned with previously characterized γ-CAs, revealing differences in the catalytic pocket residues. Further analysis of the structures following homology modeling revealed a hydrophobic patch in the catalytic pocket, presumed important for CO₂ binding. Monitoring of proton shuttling residue His69 (P. marina γ-CA numbering) during MD simulations of P. hydrogeniphila and P. marina’s γ-CAs (γ-PhCA and γ-PmCA), showed a different behavior to that observed in the γ-CA of Escherichia coli, which periodically coordinates Zn²⁺. This work also involved the search for hotspot residues that contribute to interface stability. Some of these residues were further identified as key in protein communication via betweenness centrality metric of dynamic residue network analysis. T. takaii’s γ-CA showed marginally lower thermostability compared to the other three γ-CA proteins with an increase in conformations visited at high temperatures being observed. Hydrogen bond analysis revealed important interactions, some unique and others common in all γ-CAs, which contribute to interface formation and thermostability. The seemingly thermostable γ-CA from T. thermophilus strangely showed increased unsynchronized residue motions at 423 K. γ-PhCA and γ-PmCA were, however, preliminarily considered suitable as prospective thermostable CO₂ sequestration agents.     

Eight-node conforming straight-side quadrilateral element with high-order completeness (QH8-C1)

A new eight-node conforming quadrilateral element with high-order completeness, denoted as QH8-C1, is proposed in this article. First, expressions for the interpolation displacement function satisfying the requirements for high-order completeness in the global coordinate system are constructed. Second, the displacement function expression in global coordinates is transformed into isoparametric coordinates, and the relationships between the two series of coefficients for the two kinds of displacement function expressions are found. Third, the displacement function expression is modified to satisfy the requirements of nodal freedom and interelement boundary continuity. The key to the new element construction is the derivation of the linear relationship expressions among 12 coefficients of element displacement interpolation polynomials in the global and isoparametric coordinate systems. As a result, the relationship between quadratic completeness and interelement continuity is explicitly given, and a proof of the completeness and the continuity was conducted to theoretically guarantee the validity of the derivation results. Furthermore, in order to verify the correctness of the theoretical work, nine numerical examples were performed. The computation results from these examples demonstrate that QH8-C1 exhibited excellent performance, including high simulation accuracy, fast convergence, insensitivity to mesh distortion, and monotonic convergence.     

LPNN-based approach for LASSO problem via a sequence of regularized minimizations

In compressive sampling theory, the least absolute shrinkage and selection operator (LASSO) is a representative problem. Nevertheless, the non-differentiable constraint impedes the use of Lagrange programming neural networks (LPNNs). We present in this article the -LPNN model, a novel algorithm that tackles the LASSO minimization together with the underlying theory support. First, we design a sequence of smooth constrained optimization problems, by introducing a convenient differentiable approximation to the non-differentiable -norm constraint. Next, we prove that the optimal solutions of the regularized intermediate problems converge to the optimal sparse signal for the LASSO. Then, for every regularized problem from the sequence, the -LPNN dynamic model is derived, and the asymptotic stability of its equilibrium state is established as well. Finally, numerical simulations are carried out to compare the performance of the proposed -LPNN algorithm with both the LASSO-LPNN model and a standard digital method.     

A Modified Variational-Gradient Method for Quasilinear Equations

A modified variational-gradient method is proposed and substantiated for quasilinear operator equations in a Hilbert space.     

时滞系统控制问题块脉冲算子解的收敛性

本文给出了一种基于块脉冲算子的离散逼近格式.应用这种逼近格式,可以获得时滞非 线性最优控制问题的块脉冲级数解.本文证明了这种块脉冲级数解将收敛于这类问题的精 确解,并具有一阶收敛速度.     

Hammerstein系统参数的集员辨识

本文运用多输入多输出系统参数的集员辨识的结果讨论了Ｈａｍｍｅｒｓｔｅｉｎ系统参数的集员辨识．在系统动态噪声有界的假定下导出了Ｈａｍｍｅｒｓｔｅｉｎ系统参数的成员集是个椭球，并证明了在一定条件下椭球趋向于一点，文中还给出了仿真例子．     

一类Boltzmann & Darwin混合寻优策略的收敛特性研究

基于文［１］提出的求解组合最优化问题的Ｂｏｌｔｚｍａｎｎ＆Ｄａｒｗｉｎ混合寻优策略，本文进一步分析研究了Ｂｏｌｔｚｍａｎｎ＆Ｄａｒｗｉｎ混合寻优策略非时齐情形下的收敛特性，包括全局收敛性和收敛速度。结果表明，Ｂｏｌｔｚｍａｎｎ＆Ｄａｒｗｉｎ混合寻优策略的收敛特性优于模拟退火（ｓｉｍ－ｕｌａｔｅｄ ａｎｎｅａｌｉｎｇ）方法的收敛特性。     

宽线性共轭梯度算法及其在盲多用户检测中的应用

本文提出了一种宽线性共轭梯度算法，分析了算法在均值意义下的收敛性，并给出了算法稳定条件。仿真表明，新算法应用于码分多址系统多址干扰抑制时的性能优于Yin（2003）及Schober（2004）所提出的算法。