超声波燃气表矩形流道的雷诺修正系数仿真研究

在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关.     

多元统计分析中一类矩阵迹函数最小化问题的有效算法

研究来源于多元统计分析中的一类矩阵迹函数最小化问题$\min c+ tr(AX)+\sum\limits_{j=1}^{m}tr(B_j X C_jX^{T}),\ \ {\rm s. t.} \ X^TX=I_p,$其中$c$为常数, $A\in R^{p\times n}\ (n\geq p)$, $B_j\in R^{n\times n}, C_j\in R^{p\times p}$为给定系数矩阵. 数值实验表明已有的Majorization算法虽可行, 但收敛速度缓慢且精度不高. 本文从黎曼流形的角度重新研究该问题, 基于Stiefel流形的几何性质, 构造一类黎曼非单调共轭梯度迭代求解算法, 并给出算法收敛性分析.数值实验和数值比较验证所提出的算法对于问题模型是高效可行的.     

The Fifty Percent Machines—A Short History of Influence Machines and an Elementary Theory of Their Efficiency: An Attempt

Presenting the devices invented by Toepler, Holtz, Wimshurst, and Wommelsdorf, the history of the influence machines, the progress made, and the remaining deficits are discussed. The theoretical considerations published in the literature lack generalizable statements on the efficiency. Based on R. W. Pohl's model (1927), an elementary analysis is made, with the result that the upper limit of the theoretically achievable efficiency of influence machines is only 50%.     

Formal proofs of operator identities by a single formal computation

A formal computation proving a new operator identity from known ones is, in principle, restricted by domains and codomains of linear operators involved, since not any two operators can be added or composed. Algebraically, identities can be modelled by noncommutative polynomials and such a formal computation proves that the polynomial corresponding to the new identity lies in the ideal generated by the polynomials corresponding to the known identities. In order to prove an operator identity, however, just proving membership of the polynomial in the ideal is not enough, since the ring of noncommutative polynomials ignores domains and codomains. We show that it suffices to additionally verify compatibility of this polynomial and of the generators of the ideal with the labelled quiver that encodes which polynomials can be realized as linear operators. Then, for every consistent representation of such a quiver in a linear category, there exists a computation in the category that proves the corresponding instance of the identity. Moreover, by assigning the same label to several edges of the quiver, the algebraic framework developed allows to model different versions of an operator by the same indeterminate in the noncommutative polynomials.     

The impact of insecticides containing deltamethrin and cyfluthrin on the composition of surface compounds in the larvae,females and males of Tenebrio molitor

This paper presents the effect of insecticides on the composition of the surface compounds of one of the most harmful insects, Tenebrio molitor, by analysis using GC–MS. As a result of the use of insecticides, the composition of the chemical compounds on the surface of insects changes, depending on the insecticides used. The most numerous groups of the marked compounds were fatty acids, alkanes, esters and sterols. The content of the identified compounds in the larvae increased at both 24 and 48 h after the application of insecticides, in comparison with the control samples. The content of identified compounds in the samples taken from the females increased 24, 48 and 72 h after the application of insecticides in comparison with the control samples. By contrast, in samples prepared from males, the content of identified compounds decreased 24 h after the application of insecticides, compared with the control samples. The highest content of chemical compounds was for fatty acids and alkanes after the use of insecticides. The content of fatty acids after the application of the insecticide with deltamethrin was 62.1 ± 3.3–466.9 ± 5.9 μg/g, and after the application of the insecticide with cyfluthrin was 49.9 ± 1.9–458.3 ± 4.2 μg/g. However, the content of alkanes after the use of deltamethrin was 115.6 ± 4.2–4672.0 ± 32.1 μg/g, and after the use of cyfluthrin was 189.4 ± 3.8–3975.0 ± 10.2 μg/g.     

LC-MS-based multi-omics analysis of brain tissue for the evaluation of the anti-ischemic stroke potential of Tribulus terrestris L. fruit extract in MCAO rats

This study aimed to investigate the chemical composition of Tribulus terrestris L. fruit (TT) extract named TT15 and its protective effect against ischemic stroke (IS) as well as corresponding mechanisms. The chemical composition of TT15 was analyzed by liquid chromatography-mass spectrometry (LC-MS), and the compound identification was conducted via searching the in-house database. The LC-MS-based multi-omics approach was applied to search the differential metabolites and differential proteins in rat brain tissue and to explore the biomarker and molecular mechanism of TT15 against middle cerebral artery occlusion (MCAO). A total of 20 compounds were identified from TT15, mainly including alkaloids, flavonoids, phenols, quinones, and esters. These 20 compounds significantly affected the metabolism of 44 metabolites and the expression of 51 proteins. Joint pathway analysis showed that these metabolites and proteins were mainly involved in the response to elevated platelet cytosolic Ca²⁺ and platelet activation, which inferred that TT15 may exert a protective effect against cerebral ischemic injury via regulating platelet function. This study provides useful information for further exploration of the mechanisms of TT extract against IS.     

Het(aryl)isatin to het(aryl)aminoindoline scaffold hopping: A route to selective inhibitors of matrix metalloproteinases

Matrix metalloproteinases (MMPs) are a large family of zinc-dependent endoproteases known to exert multiple regulatory roles in tumor progression. A variety of chemical classes have been explored for targeting individual MMP isoforms. In the present study, we further developed our isatin based scaffold BB0223107 capable of binding to and inactivating MMP-2 in a zinc-independent manner (Agamennone et al., 2016). Forty four new compounds were synthesized based on the modified BB0223107. All compounds were tested in enzyme inhibition assays against MMP-2, ?8 and ?13. SAR studies demonstrated that 5-het(aryl)-3-aminoindolin-2-ones (37–39) were active toward MMP-2 and MMP-13. The most potent compounds 33 and 37 displayed an IC₅₀ of 3 µM against MMP-13 and showed a negligible activity toward MMP-8; almost all new compounds were inactive toward MMP-8. Replacement of the isatin ring with a biaryl system (compound 33) did not decrease the potency against MMP-13 but reduced the selectivity. Structure-based computational studies were carried out to rationalize the inhibitory activity data. The analysis of binding geometries confirmed that all fragments occupied the S1′ site in the three enzymes while no ligand was able to bind the catalytic zinc ion. To the best of our knowledge, this is the first example of 3-aminoindolin-2-one-based MMP inhibitors that, based on the computer modeling study, do not coordinate the zinc ion. Thus, the het(aryl)-3-aminoindolin-2-one derivatives emerge as a drug-like and promising chemotype that, along with the hetaryl variations, represents an alternative and thrifty tool for chemical space exploration aimed at MMP inhibitor design.     

Comparison study of exchange-correlation functionals on prediction of ground states and structural properties

Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote.