The Interstitial Carbon of the Nitrogenase FeMo Cofactor is Far Better Stabilized than Previously Assumed

The first quantum-mechanical calculations of all relevant potential constants in both the iron-molybdenum cofactor and the iron-vanadium cofactor of nitrogenase suggest that the carbide is bound to the center of the enzyme much more strongly than hitherto assumed. Previous studies seemed to indicate a dummy function of the interstitial carbon, with a weak force constant (ca. 0.32 N cm⁻¹). Our new investigations confirm a different picture: the central carbon atom binds the iron-sulfur cluster through six covalent C−Fe bonds. With a potential constant of more than 1.3 N cm⁻¹, the interstitial carbon also appears to be dynamically persistent. According to our investigations, the values for the elasticity within the iron-sulfur cluster have to be corrected too. These new details on the mechano-chemical properties of the FeMo cofactor will be important for elucidating the catalytic cycle of nitrogen fixation. By implementing our new algorithm in the freely available COMPLIANCE program, the dependence on the coordinates during the calculation of Hesse matrices is eliminated completely.     

带1-范数约束的分裂可行问题的投影算法

本文主要研究带1-范数约束的分裂可行问题的求解算法.用一种交替投影算法,求得了问题的解,提出松弛交替投影算法,改进了直接往闭凸集上投影这一不足,并证明了该算法的收敛性.     

粘性解框架下的完全耦合正倒向随机系统最优控制问题的验证定理

研究了完全耦合正倒向随机控制系统的最优控制问题.得到了粘性解框架下的,控制变量同时出现在正倒向随机系统的漂移项和扩散项中的最优控制问题的验证定理.还讨论了验证定理在构造随机最优反馈控制中的应用.     

Substituting CF2 for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Intrinsic structural features and energetics of nucleotides containing variously fluorinated sugars as potential building blocks of DNA duplexes and quadruplexes are explored systematically using the modern methods of density functional theory (DFT) and quantum chemical topology (QCT). Our results suggest that fluorination at the 2′‐β or 2′‐α,β positions somewhat stabilizes in vacuo the AI relative to the BI conformations. In contrast, substitution of the CF₂ group for the O4′ atom (O4′‐CF₂ modification) leads to a preference of the BI relative to AI DNA‐like conformers. All the studied modifications result in a noticeable increase in the stability of the glycosidic bond [estimated by the relaxed force constants (RFC) approach], with particularly encouraging results for the O4′‐CF₂ derivative. Consequently, the O4′‐CF₂ modified systems are suggested and explored as promising scaffolds for the development of duplex and quadruplex structures with reduced propensity to form abasic lesions and to undergo DNA damage.     

An explicit algorithm for monotone variational inequalities

We introduce a fully explicit method for solving monotone variational inequalities in Hilbert spaces, where orthogonal projections onto the feasible set are replaced by projections onto suitable hyperplanes. We prove weak convergence of the whole generated sequence to a solution of the problem, under only the assumptions of continuity and monotonicity of the operator and existence of solutions.     

On a mutualism model with feedback controls

We propose and study a mutualism model with feedback controls. By applying a new differential inequality, we show that the conditions which ensure the permanence of the system are the same as that of the model without feedback controls, which means that the feedback control variables have no influence on the persistent property of the system. Our results not only improve but also complement some existing ones.     

Permanence of a delayed discrete mutualism model with feedback controls

This paper discusses a two species discrete model of mutualism with delays and feedback controls. Sufficient conditions are obtained for the permanence of the system. The results show that feedback control variables have no influence on the persistence property of the system.     

自愿性披露内部控制鉴证报告的影响因素——基于2008年沪市A股数据的实证研究

对2008年我国沪市854家A股上市公司自愿披露内部控制鉴证报告的影响因素进行实证研究.研究发现:公司规模、行业门类、当前状态、股权集中度对公司自愿披露内部控制鉴证报告具有显著影响;股票种类、上市时间、盈利能力、董事会规模、审计意见对公司自愿披露内部控制鉴证报告的影响次之;而公司成长性、融资计划以及是否违规对公司自愿披露内部控制鉴证报告的影响较弱.     

AN EXTRAGRADIENT METHOD FOR RELAXED COCOERCIVE VARIATIONAL INEQUALITY AND EQUILIBRIUM PROBLEMS

The purpose of this paper is to investigate the problem of finding the common element of the set of common fixed points of a countable family of nonexpansive mappings, the set of an equilibrium problem and the set of solutions of the variational inequality prob- lem for a relaxed cocoercive and Lipschitz continuous mapping in Hilbert spaces. Then, we show that the sequence converges strongly to a common element of the above three sets under some parameter controlling conditions, which are connected with Yao, Liou, Yao[17], Takahashi[12] and many others.     

Stackelberg–Nash exact controllability for the Kuramoto–Sivashinsky equation

This paper deals with a hierarchical control problem for the Kuramoto–Sivashinsky equation following a Stackelberg–Nash strategy. We assume that there is a main control, called the leader, and two secondary controls, called the followers. The leader tries to drive the solution to a prescribed target and the followers intend to be a Nash equilibrium for given functionals. It is known that this problem is equivalent to a null controllability result for an optimality system consisting of three non-linear equations. One of the novelties is a new Carleman estimate for a fourth-order equation with right-hand sides in Sobolev spaces of negative order, which allows to relax some geometric conditions for the observation sets for the followers.