非齐次动力学方程的一种精细积分单步方法

针对非齐次动力学方程■,结合精细积分法和微分求积法,利用同阶的显式龙格-库塔法对计算过程中待求的v_(k+i/s)(i=1,2,…,s)进行预估,提出了一种避免状态矩阵求逆的高效精细积分单步方法。该方法采用精细积分法计算e~(Ht),而Duhamel积分项采用s级s阶的时域微分求积法,计算格式统一且易于编程,可灵活实现变阶变步长。仿真结果表明,与其他单步法及预估校正-辛时间子域法进行数值比较,该方法具有高精度、高效率及良好的稳定性,在求解大规模动力系统时间响应问题中具有较大的优势。     

Stereodivergent Desymmetrization of Simple Dicarboxylates via Branch-Selective Pd/Cu Catalyzed Allylic Substitution

Asymmetric desymmetrization has been demonstrated to be a powerful strategy for building stereocenters in asymmetric synthesis. Herein, a Pd/Cu catalyzed asymmetric desymmetrization reaction with a simple geminal dicarboxylate is reported. A wide scope of imino esters bearing an aryl or heteroaromatic group were compatible with this bimetallic catalytic system. The reactions proceeded smoothly, giving the desired products in good yields with high to excellent regio-, diastereo-, and enantioselectivity (up to 20 : 1 branched:linear, >20 : 1 dr, >99 % ee). Notably, the reaction favored branched selectivity, which is unusual for the Pd-catalyzed allylic alkylation reaction. In addition, the standard product could be easily transformed to other valuable molecules such as chiral allylic alcohols, carbamates, and organic boron compounds. Furthermore, DFT calculations were conducted to explain the origin of the branched selectivity.     

High Uptake of ReO4− and CO2 Conversion by a Radiation‐Resistant Thorium–Nickle [Th48Ni6] Nanocage‐Based Metal–Organic Framework

Assembled from [Th₄₈Ni₆] nanocages, the first transition‐metal (TM)‐thorium metal–organic framework (MOF, 1 ) has been synthesized and structurally characterized. 1 exhibits high solvent and acid/base stability, and resistance to 400 kGy β irradiation. Notably, 1 captures ReO₄^? (an analogue of radioactive ⁹⁹TcO₄^?, a key species in nuclear wastes) with a maximum capacity of 807 mg g^?1, falling among the largest values known to date. Furthermore, 1 can enrich methylene blue (MB) and can also serve as an effective and recyclable catalyst for CO₂ fixation with epoxides; there is no significant loss of catalytic activity after 10 cycles. Theoretical studies with nucleus‐independent chemical shifts and natural bond orbital analysis reveal that the [Th₆O₈] clusters in 1 have a unique stable electronic structure with (d–p)π aromaticity, partially rationalising 1 ′s stability.     

黏弹性接触界面端附近的奇异应力场

研究蠕变加载条件下线黏弹性材料接触界面端附近的奇异应力场问题.考虑接触界面的摩擦,假设界面端的滑移方向不改变,相对滑移量微小,且其与位移同量级,由此线性化局部边界条件,根据对应原理得到Laplace变换域中的界面端应力场,导出时域中奇异应力场的卷积积分表达式.对卷积积分核函数进行数值反演,考虑接触材料的两类组合,一是持久模量具有量级上的差异,另一是持久模量接近相同.算例结果证实核函数可以用准弹性法求得的解析式较准确地近似.在此基础上,利用积分中值定理,并引入各应力分量的修正系数,得到黏弹性奇异应力场的简化式.结合核函数的数值反演结果分析修正系数表达式的取值范围,得到如下结论,若两相接触材料的持久模量相差很大,可以采用准弹性解的解析式较准确地描述界面端的奇异应力场;一般情况下,应力场不存在统一的奇异值和应力强度系数,当采用类似于准弹性解的表达式近似给出黏弹性应力场时,可以估计此近似描述的误差限.文中最后采用有限元分析黏弹性板端部嵌入部位的应力场,算例包括了黏弹性板与弹性金属支承、黏弹性板与黏弹性垫层所形成的滑移接触界面端,利用黏弹性有限元的数值结果验证理论分析所得结论的有效性.      

大脑血液动力学现象中的能量编码

神经信息的编码与解码是神经科学中的核心研究内容,同时又极具挑战性.传统的编码理论都具有各自的局限性,很难从脑的全局运行方式上给出有效的理论.而由于能量是一个标量具有可叠加性,因此能量编码理论可以从神经元活动的能量特征出发来研究脑功能的全局神经编码问题,取得了一系列的研究成果.本研究以王-张神经元能量计算模型为基础,构建了一个多层次结构的神经网络,通过计算机数值模拟得到了神经网络的能量消耗和血液中葡萄糖供能的变化情况.计算结果显示,和网络的神经活动达到峰值的时间相比,血液中葡萄糖的供能达到峰值的时间延迟了约5.6s.从定量的角度再现了功能性核磁共振(fMRI)中的血液动力学现象:大脑某个脑区的神经元集群被激活以后经过5~7 s的延迟,脑血流的变化才会大幅增加.模拟结果表明先前发表的由王-张神经元模型所揭示的负能量机制在控制大脑的血液动力学现象中起着核心的作用,预测了刺激条件下大脑的能量代谢与血流之间变化的本质是由神经元在发放动作电位过程中正、负能量之间的非平衡、不匹配性质所决定的.本文的研究结果为今后进一步探究血液动力学现象的生理学机制提供了新的研究方向,在神经网络的建模与计算方面给出了一个新的视角和研究方法.      

THE MODIFIED TRIPLES ALGORITHM FOR FLUSH AIR DATA SENSING SYSTEM APPLIED TO THE VEHICLE WITH BLUNT FORE-BODIES1)

针对传统的用于钝头体飞行器的嵌入式大气数据传感系统的经典三点式算法对测压孔配置约束性严格的特点,对经典三点式算法进行了改进及验证。首先,对于经典三点式算法及改进算法进行了论述;其次,针对不同测压孔配置对算法精度的影响进行了系统的评估;最后,对于传统的经典三点式算法与改进三点式算法的优劣进行了比较。结论为：(1)改进的三点式算法对于测压孔的配置敏感性变差,即对测压孔约束很宽松,可用测压孔数增加,从而使得算法的适用性更强;(2)改进的三点式算法的精度与三点式算法相当,但是需要对测压孔进行系统选取及对比验证。     

EXPERIMENTAL RESEARCH ON FAILURE AND ENERGY DISSIPATION CHRACTERISTICS OF THE SANDSTONE1)

通过三轴卸荷试验,探究了不同路径下卸荷速率对砂岩力学特性及破坏过程中的能量耗散的影响。试验结果表明在全过程应力-应变曲线的弹性阶段,轴向变形起主导作用,弹塑性阶段,环向应变的增加值大于轴向应变增加值。在围压卸荷阶段,卸荷速率越小,卸荷阶段的应变折合柔度越大,此时岩样的变形不充分,呈现明显的脆性破坏。恒主应力差路径下的耗散能大于恒轴压路径下的耗散能的35%,卸荷速率越大,岩样的弹性应变能越小。     

A cell-permeable green fluorescent probe for dsDNA

The sensitive and selective detection of nucleic acids is important for basic research and many applied fields. Herein, a novel green DEAB-TO-1 was designed and synthesized. DEAB-TO-1 shows significant fluorescence enhancement (800-fold) when bound to ctDNA and a distinct selectivity for dsDNA over RNA (5.9 times). Moreover, the limit of detection is 0.57 ng/mL. It is live-cell-permeant DNA intecalator, indicating a promising candidate for nucleus-specific imaging and a good counter-stain compatibility with other dyes.     

Multifunctional land‐use value mapping and space type classification: A case study of Puge County,China

Land exhibits diverse functions under the combined influence of natural and human forces. A production–living–ecology functional classification system was constructed by integrating land, ecosystem, and landscape functions. The land functional value was calculated by systematically integrating ecosystem service value assessments. The primary and secondary functions, as well as combinations of different land‐use types, were determined using vertical and horizontal comparison methods. The production–living–ecology ranges were then delineated in Puge County, which is a typical mountain county in China. The production–living–ecology functions identified were well connected with the current land‐use types. The “production–living–ecology” space in Puge County showed obvious multifunctionality and agglomeration. The function identification system proposed in this paper integrated multiple methods, overcame the difficulty of direct quantitative identification of land functions. The methods used to map and quantify land function will enhance our ability to understand and model land system changes and adequately inform policies and planning. Summary for Managers

• The function valuation method constructed in this paper could be used to reflect the multifunctionality and importance of land use and provide guidance and a quantitative basis for regional development planning.
• The spatial classification results provided in this paper could offer a valuable reference for the land management department to scientifically formulate land use planning.
• Under the goal of creating a group‐type urban development pattern and constructing an ecological protection pattern in Puge County, the hotspot analysis results of this paper can provide decision‐making tools and alternative spatial plans.