Enhancement of the solubilities of polycyclic aromatic hydrocarbons by weak hydrogen bonds with water

Summary The thermodynamics of mobile order is applied to predict the aqueous solubility of liquid and solid aliphatic and polycyclic aromatic hydrocarbons. The solubility values are mainly determined by the magnitude of the hydrophobic effect. However, contrary to the solubilities of the alkanes, the solubilities of polycyclic aromatic hydrocarbons in water predicted in absence of solute-solvent hydrogen (H) bonds are systematically too low. This shows the contribution of weak specific interactions between the OH groups and the electrons of the aromatic substances. According to the theory, these interactions are characterized by a stability bility constant K_o which can be derived from solubility data. At 25°C, this constant amounts to 80 cm³/mol, the order of magnitude of which can be explained by the competition of these intermolecular bonds with the rather weak self-association bonds in the secondary chains of water.     

Numerical solution of minimax problems of optimal control,part 1

This paper contains general transformation techniques useful to convert minimax problems of optimal control into the Mayer-Bolza problem of the calculus of variations [Problem (P)]. We consider two types of minimax problems: minimax problems of Type (Q), in which the minimax function depends on the state and does not depend on the control; and minimax problems of Type (R), in which the minimax function depends on both the state and the control. Both Problem (Q) and Problem (R) can be reduced to Problem (P).For Problem (Q), we exploit the analogy with a bounded-state problem in combination with a transformation of the Jacobson type. This requires the proper augmentation of the state vectorx(t), the control vectoru(t), and the parameter vector , as well as the proper augmentation of the constraining relations. As a result of the transformation, the unknown minimax value of the performance index becomes a component of the parameter vector being optimized.For Problem (R), we exploit the analogy with a bounded-control problem in combination with a transformation of the Valentine type. This requires the proper augmentation of the control vectoru(t) and the parameter vector , as well as the proper augmentation of the constraining relations. As a result of the transformation, the unknown minimax value of the performance index becomes a component of the parameter vector being optimized.In a subsequent paper (Part 2), the transformation techniques presented here are employed in conjunction with the sequential gradient-restoration algorithm for solving optimal control problems on a digital computer; both the single-subarc approach and the multiple-subarc approach are discussed.This research was supported by the National Science Foundation, Grant No. ENG-79-18667, and by Wright-Patterson Air Force Base, Contract No. F33615-80-C3000. This paper is a condensation of the investigations reported in Refs. 1–7. The authors are indebted to E. M. Coker and E. M. Sims for analytical and computational assistance.     

Use of mobile phase 18-crown-6 to improve peak resolution between mono- and divalent metal and amine cations in ion chromatography

It is difficult to quantify NH4+ by ion chromatography in the presence of high concentrations of Na+ due to peak overlap. The Dionex IonPac CS15 column, which contains phosphonate, carboxylate, and 18-crown-6 functional groups, was originally developed to overcome this problem. We have found that the addition of 18-crown-6 to the eluent promotes improved peak resolution between Na+ and NH4+ even at concentrations as high as 60,000 to 1 using this column. Its use also improves the separation of alkali and alkaline earth metal and amine cations. Mobile phase 18-crown-6 increased the retention times of CH3NH3+, NH4+, and K+, and decreased the retention time of Sr2+. The retention times of Li+, Na+, Mg2+, Ca2+, (CH3)2NH2+, and (CH3)3NH+ were not affected. This method makes possible the direct analysis of ammonia from nitrogenase, the enzyme responsible for biological nitrogen fixation. The resolution of the NH4+ peak from the Na+ and Mg2+ peaks improved from zero resolution to values of 6.19 and 5.65, respectively. This technique considerably reduces the analysis time of NH4+ in the presence of high concentrations of Mg2+ and Na+ over traditional indophenol measurements.     

The role of β-cyclodextrin and hydroxypropyl β-cyclodextrin in the secondary chemical equilibria associated to the separation of β-carbolines by HPLC

The use of cyclodextrins (CDs) in HPLC as mobile phase additives provides a flexible alternative for the separation of chemically related compounds because these separations can be performed on conventional columns and are economically advantageous over the use of chiral stationary phases. The present paper describes the influence of the presence of β-cyclodextrin (β-CD) and 2-hydroxypropyl-β-cyclodextrin (HPβ-CD) on the separation of the β-carboline alkaloids norharmane, harmane and harmine. The nature of the stationary phase (reverse phases C₁ and C₁₈) affects the chromatographic separations and also the stability of the inclusion complexes that are developed. The changes in the proportion of the organic solvents at constant concentration of CDs (3 mM for β-CD and 15 mM for HPβ-CD) modify the retention factors (k′) for all alkaloids studied. The nature of the organic solvent in the mobile phase also changes the chromatographic parameters. The logarithm of the capacity factor (k′) is linearly increased with the proportion of water in the hydro-organic mobile phase (ethanolic or methanolic) but the slopes obtained vary depending on the CD added to the mobile phase. The role of competitive equilibria, i.e., chromatographic distribution and inclusion complexes formation is discussed. This paper was presented at XIIIth International Cyclodextrin Symposium. Torino, Italy, May, 14–17, 2006     

Hierarchical multicast techniques and scalability in mobile Ad Hoc networks

Many potential applications of Mobile Ad Hoc Networks (MANETs) involve group communications among the nodes. Multicasting is an useful operation that facilitates group communications. Efficient and scalable multicast routing in MANETs is a difficult issue. In addition to the conventional multicast routing algorithms, recent protocols have adopted the following new approaches: overlays, backbone-based, and stateless. In this paper, we study these approaches from the protocol state management point of view, and compare their scalability behaviors.To enhance performance and enable scalability, we have proposed a framework for hierarchical multicasting in MANET environments. Two classes of hierarchical multicasting approaches, termed as domain-based and overlay-driven, are proposed. We have considered a variety of approaches that are suitable for different scenarios such as multicast group sizes and number of groups. Results obtained through simulations demonstrate enhanced performance and scalability of the proposed techniques.     

移动代理技术及工业管理应用

本文详细介绍了移动代理的定义、移动代理的构成、代理的移动方式及移动代理的安全性问题，由于目前移动代理技术的飞速发展，已经在很多的领域得到了应用，本文分析了如何应用移动代理技术服务于工业管理。     

移动通信业务套餐设计原则探讨

针对当前移动通信行业业务套餐设计中存在的问题(如缺乏充分市场细分、没有突出品牌概念、停滞于恶性竞争状态、影响企业整体形象)。以广东移动通信市场为例进行了分析，提出了遵循双赢、有效区隔、协调平衡和注重品牌等4个基本原则。     

Discontinuous Galerkin methods on graphics processing units for nonlinear hyperbolic conservation laws

We present a novel implementation of the modal DG method for hyperbolic conservation laws in two dimensions on graphics processing units (GPUs) using NVIDIA's Compute Unified Device Architecture. Both flexible and highly accurate, DG methods accommodate parallel architectures well as their discontinuous nature produces element‐local approximations. High‐performance scientific computing suits GPUs well, as these powerful, massively parallel, cost‐effective devices have recently included support for double‐precision floating‐point numbers. Computed examples for Euler equations over unstructured triangle meshes demonstrate the effectiveness of our implementation on an NVIDIA GTX 580 device. Profiling of our method reveals performance comparable with an existing nodal DG‐GPU implementation for linear problems. Copyright © 2014 John Wiley & Sons, Ltd.     

Progressive filling partitioning and mapping algorithm for Spark based on allocation fitness degree

The job execution mechanism of Spark was analyzed,task efficiency model and Shuffle model were established,then allocation fitness degree (AFD) was defined and the optimization goal was put forward.On the basis of the model definition,the progressive filling partitioning and mapping algorithm (PFPM) was proposed.PFPM established the data distribution scheme adapting Reducers’ computing ability to decrease synchronous latency during Shuffle process and increase cluster the computing efficiency.The experiments demonstrate that PFPM could improve the rationality of workload distribution in Shuffle and optimize the execution efficiency of Spark.     

二元DNA Hamming码的设计及分析

DNA计算作为一种新的计算模式,有着强大的计算能力。实验表明,有效的编码可以提高DNA计算的可靠性,从而保证DNA计算的成功率。二元Hamming码是一类达到Hamming界的好码,也是仅有的两类完全码中的一类。文中基于纠错码编码理论给出了二元DNA Hamming码的设计过程,并进一步分析了所设计的二元DNA Hamming码的性质及其优点。