The Complex Structure of the Pharmacological Drug–Disease Network

The complexity of drug–disease interactions is a process that has been explained in terms of the need for new drugs and the increasing cost of drug development, among other factors. Over the last years, diverse approaches have been explored to understand drug–disease relationships. Here, we construct a bipartite graph in terms of active ingredients and diseases based on thoroughly classified data from a recognized pharmacological website. We find that the connectivities between drugs (outgoing links) and diseases (incoming links) follow approximately a stretched-exponential function with different fitting parameters; for drugs, it is between exponential and power law functions, while for diseases, the behavior is purely exponential. The network projections, onto either drugs or diseases, reveal that the co-ocurrence of drugs (diseases) in common target diseases (drugs) lead to the appearance of connected components, which varies as the threshold number of common target diseases (drugs) is increased. The corresponding projections built from randomized versions of the original bipartite networks are considered to evaluate the differences. The heterogeneity of association at group level between active ingredients and diseases is evaluated in terms of the Shannon entropy and algorithmic complexity, revealing that higher levels of diversity are present for diseases compared to drugs. Finally, the robustness of the original bipartite network is evaluated in terms of most-connected nodes removal (direct attack) and random removal (random failures).     

天然水体铜络合容量的测定与调查

天然水体中存在的络合配位体与受纳的重金属污染物能产生一定的络合反应 ,改变重金属的形态 ,可以减低对水生动植物的毒性。通常可以用络合容量 (Complexcapacity)来表示天然水体的这一特性 ,它实际上表示水体中络合配位体 (有机的或无机的 )含量的多少 ,通过测定络合容量 ,可以了解水体对重金属的自净能力 ,对研究重金属在纳污水体中的迁移有实际意义。文章用铜标准溶液滴定待测水样 ,结合在线富集 FAAS测试技术 ,求得天然水体中有机和无机配体的络合容量和条件稳定常数 ,并对常量干扰因素的影响进行了检验。结果表明 ,水体pH 5 0～ 9 0范围内 ,对络合容量测定无显著干扰。Cl-,SO2 -4,HCO-3 以及OH-可与Cu2 形成各种无机络合态铜 ,样品回收率为 98 0 % ,测定络合容量的相对标准偏差为 4 9% ,条件稳定常数的相对标准偏差为 8 4 %。此外 ,还调查了济南卧虎山水库络合容量的水平和垂向分布特征 ,并探讨了络合容量与水质指标化学需氧量、叶绿素a的相关关系 ,水样pH太低 ,有机络合态铜解离 ,宜造成结果偏低。     

The Complex Bateman Equation

The general solution to the complex Bateman equation is constructed. It is given in implicit form in terms of a functional relationship for the unknown function. The known solution of the usual Bateman equation is recovered as a special case.     

基于IERT的非线性全光谱复杂水体定量分析算法研究

水是一种有限的资源,对农业、工业乃至人类的生存都是必不可少的,良好的水环境是可持续发展的重要保障。对水质信息的科学监测,是实现水资源优化配置与高效利用的基础。联合国环境署（UNEP）与世界卫生组织（WHO）指出,应当加强发展中国家的水质监测网络,包括数据质量的保证和分析能力的提高。光谱法作为一种新兴的水质分析方法,相比传统的化学水质监测方法,具有“响应速度快、多参数同步、绿色无污染”的特点。传统单波长、多波长的线性模型依赖于水体对特定波长的吸收特征,不适用于多组分混合溶液且普适性较差。因此,提出了一种基于IERT的非线性全光谱定量分析算法,建立适用于多组分混合溶液浓度预测模型,达到利用全光谱信息来预测浓度信息的目的。利用实验室配置的COD,BOD₅和TOC多组分混合溶液与NO₃-N、浊度、色度多组分混合溶液作为实验样本,使用光谱仪采集样本的光谱曲线,通过全光谱数据进行浓度预测实验,结果显示,对于COD,BOD₅和TOC多组分混合溶液,本算法对于三种组分的决定系数（R2）分别为0.999 3,0.991 4和0.999 3,均方根误差（RMSE）分别为0.024 4,0.057 7和0.000 4;对于NO₃-N、浊度、色度多组分混合溶液,决定系数（R2）分别为0.983 4,0.868 4和0.981 0,均方根误差（RMSE）分别为0.100 5,0.326 4和0.120 2。通过对比本算法与偏最小二乘（PLS）、支持向量机回归（SVR）、决策树（DT）、极端随机树（ERT）对于同一组数据的实验结果,表明：在两组多组分混合溶液的实验中,本算法对于其中各组分的决定系数（R2）均为最优,相比于其他对比算法均方根误差（RMSE）均有大幅减少。本算法可利用光谱信息对多组分混合溶液进行定量分析,在计算时间相当的情况下,可有效的提高浓度预测精度,减少定量分析的均方根误差,可为光谱法水质监测提供一种新的有效途径。     

Complex oscillator and Painlevé IV equation

Supersymmetric quantum mechanics is a powerful tool for generating exactly solvable potentials departing from a given initial one. In this article the first- and second-order supersymmetric transformations will be used to obtain new exactly solvable potentials departing from the complex oscillator. The corresponding Hamiltonians turn out to be ruled by polynomial Heisenberg algebras. By applying a mechanism to reduce to second the order of these algebras, the connection with the Painlevé IV equation is achieved, thus giving place to new solutions for the Painlevé IV equation.     

邻二氮杂苯-水复合物氢键相互作用的理论研究

用密度泛函理论B3LYP方法和MP2方法分别对邻二氮杂苯与水形成1∶1和1∶2复合物的基态氢键结构与相互作用能进行了理论计算,结果表明复合物之间存在较强的氢键N…H-O相互作用,在复合物中,水的H-O对称伸缩振动频率明显红移.同时,使用含时密度泛函理论方法计算了邻二氮杂苯单体及复合物的第一1(n,π)和1(π,π)激发态的垂直激发能.     

复合胶体的研究

本文研究了四种金包裹银的复合胶体的制备,并对其吸收光谱、形成机制以及表面增强拉曼光谱(SERS)活性进行了讨论.     

The Multi-field Complex Bateman Equation

The multi-field generalisation of the Bateman equation arises from considerations of the continuation of String and Brane equations to the case where the base space is of higher dimension than the target space. The complex extension of this equation possesses a remarkably large invariance group, and admits a very simple implicit form for its general solution, in addition to the special case of holomorphic and anti-holomorphic explicit solutions. A class of inequivalent Lagrangians for this equation is discovered.     

The Fractal Dimensions of Complex Networks

It is shown that many real complex networks share distinctive features, such as the small-world effect and the heterogeneous property of connectivity of vertices, which are different from random networks and regular lattices. Although these features capture the important characteristics of complex networks, their applicability depends on the style of networks. To unravel the universal characteristics many complex networks have in common, we study the fractal dimensions of complex networks using the method introduced by Shanker. We find that the average ＇density＇ （p（r ） ） of complex networks follows a better power-law function as a function of distance r with the exponent dl, which is defined as the fractal dimension, in some real complex networks. Furthermore, we study the relation between df and the shortcuts Nadd in small-world networks and the size N in regular lattices. Our present work provides a new perspective to understand the dependence of the fractal dimension df on the complex network structure.     

The Causal Interaction between Complex Subsystems

Information flow provides a natural measure for the causal interaction between dynamical events. This study extends our previous rigorous formalism of componentwise information flow to the bulk information flow between two complex subsystems of a large-dimensional parental system. Analytical formulas have been obtained in a closed form. Under a Gaussian assumption, their maximum likelihood estimators have also been obtained. These formulas have been validated using different subsystems with preset relations, and they yield causalities just as expected. On the contrary, the commonly used proxies for the characterization of subsystems, such as averages and principal components, generally do not work correctly. This study can help diagnose the emergence of patterns in complex systems and is expected to have applications in many real world problems in different disciplines such as climate science, fluid dynamics, neuroscience, financial economics, etc.     

Complex parametrizedW-algebras: The gl case

We define deformations of the Poisson bracket algebras of functions on manifolds = { + _i ^/ =1w _i ^-i |w _i C (S ¹)} of pseudodifferential symbols on the circle ( C), arising in the works of Rosly and Khesin-Zakharevich. These deformations have vertex operator algebraic (VOA) counterparts, which have (for =n integer) a quotient isomorphic to theW-algebraW _n associated by Fateev and Lukyanov to gl _n .The product operation of symbols defines a Lie-Poisson structure on _C L (Rosly, Khesin-Zakharevich); we show that this structure has also a VOA counterpart.     

Temperature Dependence for the Relative Raman Cross Section of the Ammonia/Water Complex

The Raman spectra of aqueous ammonia solutions have been obtained between -40 and 25 degrees C. The Raman spectrum of neat water was also obtained at 25 degrees C and is characterized by two broad peaks observed at 3200 and 3400 cm(-1). The spectrum due to water is subtracted to determine the NH(3) spectrum at all temperatures. In ammonia-water solutions, the spectrum shows three features at measured displacements of 3250, 3316, and 3400 cm(-1). The feature at 3316 cm(-1) is assigned to the Q branch of the symmetric stretch. The broad, weak features at 3250 and 3400 cm(-1), previously assigned to rotational bands, are assigned to combination bands. The NH(3) combination bands are assigned by comparing with sum frequency generation (SFG) experiments, monitoring changes with temperature, and analyzing the polarization data. The rotational structure of the Q band is also discussed. As the temperature is lowered from 25 to -40 degrees C, an increase in the Raman intensity is observed for all bands. The relative Raman scattering cross section is determined from the numerically integrated area of the NH(3) Q branch at each temperature. Copyright 2001 Academic Press.     

Complex Padé approximant operators for wide-angle beam propagation

The conventional rational Hadley(m, n) approximant of wide-angle beam propagator based on real Padé approximant operators incorrectly propagates the evanescent modes. In order to overcome this problem, two complex Padé approximants of wide-angle beam propagator are presented in this paper. The complex propagators of the first approach are obtained by using the same recurrence formula from the scalar Helmholtz equation of the conventional approximant method with a different initial value while those of the second method derived from Hadley(m, n) approximant of a square-root operator that has been rotated in the complex plane. These resulting approaches allow more accurate approximations to the Helmholtz equation than the well-known real Padé approximant. Furthermore, our proposed complex Padé approximant operators give the evanescent modes the desired damping.     

钡-玫红酸络合物荧光光谱法测定钡餐在水中的溶解度

以荧光衍生光谱法研究了氯化钡与玫红酸形成络合物的荧光光谱,建立了钡离子的荧光光谱分析方法,在优化条件下:溶液pH=11.2,反应时间为5min,乙醇与水溶剂的比为15％.在2.5×10-11-5×10-5mol/L范围内,络合物的荧光强度与钡离子浓度存在两段线性关系,检出限为2.5×10-11mol/L.方法用于钡餐在水中溶解度的测定,结果与文献报道值一致.     

Investigation of WO4 2− - 3-Hydroxyflavone Complex in Water - Ethanolic Solution

By the application of the spectrophotometric methods the composition of the complex and by the pH-metric method the reaction of complex formation in 70% ethanol, were determined. It was found that a complex WO₃(C₁₅H₉O₃)₂ ^2- whose concentration stability constant β₂ ranged from 16.45 at pH 4.0 to 11.47 at pH 7.0, was formed. Conditions were investigated for the spectrophotometric determination of 3-hydroxyflavone by means of the reaction of complex formation. It was established that in 50% ethanol 3-hydroxyflavone can be determined with great accuracy in quantities from 0.05 to 0.30 mg/ml. All investigations were carried out at room temperature (20°C) and constant values of pH and ionic strength.     

Complex multiplication of exactly solvable Calabi–Yau varieties

We propose a conceptual framework that leads to an abstract characterization for the exact solvability of Calabi–Yau varieties in terms of abelian varieties with complex multiplication. The abelian manifolds are derived from the cohomology of the Calabi–Yau manifold, and the conformal field theoretic quantities of the underlying string emerge from the number theoretic structure induced on the varieties by the complex multiplication symmetry. The geometric structure that provides a conceptual interpretation of the relation between geometry and conformal field theory is discrete, and turns out to be given by the torsion points on the abelian varieties.     

The Electric Dipole Moment of the CO2–CO van der Waals Complex

Radiofrequency transitions withinK= 2 asymmetry doublets have been observed for the CO₂–CO van der Waals complex. A Stark effect measurement on theJ= 2,K= 2 transition provides an electric dipole moment of μ = 0.2493(1) D. Combining this result with the permanent moment of CO, μ_CO= 0.1098 D, gives a change of moment on complex formation of Δμ = 0.140 D. The sign of Δμ is such that the CO end of the complex is more positive than CO₂. The origin of Δμ should not be attributed to any single mechanism, and several different contributions to Δμ are discussed.     

辣椒碱与β-环糊精包合物的核磁共振研究

利用核磁共振方法研究了辣椒碱β-环糊精包合物的化学计量比、空间结构信息及其在水溶液中的自扩散系数. 通过测定不同浓度比的辣椒碱和β-环糊精混合溶液的 ¹H NMR数据,绘制Job's曲线,辣椒碱和β-环糊精的Job's曲线均在r=0.5处出现拐点. 同时测定了该包合物的2D ROESY和DOSY谱图,ROESY谱图中NOE交叉信号出现在辣椒碱的H-1~H-8和β-环糊精的H-3′、H-5′、H-6′之间,DOSY测得β-环糊精和辣椒碱形成包合物前后的表观自扩散系数. 结果表明,辣椒碱β-环糊精包合物的主客体分子的化学计量比为1∶1,辣椒碱分子的异丙基端从β-环糊精的宽口端进入疏水腔,其中H-1~H-8部分在空腔内部,包合物的自扩散系数为2.95×10^-10m²/s.     

Non‐Ideal Dust Structures in Cryogenic Complex Plasmas

The possibility of the formation of dust structures in cryogenic environment at 4.2‐77 K was proved experimentally in the previous researches of cryogenic complex (dusty) plasma [1–5]. It was revealed from the experiments, among others, that the dust structures with high concentration of dust particles can be formed, in which interparticle distance is comparable with particle size ‐ super dense dusty plasma structures. Such structures had exotic properties such as globular (spherical) form, free boundaries, etc. In the present work new results on the experimental investigations of new phenomenon of spheroidizing ‐ process of the dust structure transition to compact globular shape at cryogenic temperatures ‐ were presented. Possible nature of such phenomenon is discussed (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)