On weighting two criteria with a parameter in combinatorial optimization problems

Two criteria in a combinatorial problem are often combined in a weighted sum objective using a weighting parameter between 0 and 1. For special problem types, e.g., when one of the criteria is a bottleneck value, efficient algorithms are known that solve for a given value of the weighting parameter.     

三网融合给广播电视网络带来的机遇与挑战

阐述了三网融合的起源和意义,介绍了三网融合的路径,分析了三网融合给广播电视网络带来的机遇和挑战,并提出相应策略。     

A model of product line design and introduction sequence with reservation utility

Cannibalization is a major concern for a firm when designing a product line. In addition, external options from outside the firm’s product line may also play a significant role. In this paper, we investigate the impact of external options, represented by reservation utility, on product line design and introduction sequence. We find that: (a) heterogeneous reservation utility defines the relative attractiveness of segments and corresponding product line; (b) reservation utility makes it more favorable to introduce products sequentially rather than simultaneously; (c) aggregating segments is an effective way to mitigate cannibalization when it becomes too difficult to manage with different values of reservation utility across multiple segments; and (d) introducing products in a non-monotone order of quality can improve profit from simultaneous introduction when the value of reservation utility of a middle segment is particularly high.     

Tunable Probes with Direct Fluorescence Signals for the Constitutive and Immunoproteasome

Electrophiles are commonly used for the inhibition of proteases. Notably, inhibitors of the proteasome, a central determinant of cellular survival and a target of several FDA‐approved drugs, are mainly characterized by the reactivity of their electrophilic head groups. We aimed to tune the inhibitory strength of peptidic sulfonate esters by varying the leaving groups. Indeed, proteasome inhibition correlated well with the pK_a of the leaving group. The use of fluorophores as leaving groups enabled us to design probes that release a stoichiometric fluorescence signal upon reaction, thereby directly linking proteasome inactivation to the readout. This principle could be applicable to other sulfonyl fluoride based inhibitors and allows the design of sensitive probes for enzymatic studies.     

The completeness of the sines and cosines in the space of integrable functions

The paper addresses the completeness of sines and cosines with non-integer indices in the space of Lebesgue-integrable functions. The criteria for the variation from the integer value have been found such that sine and cosine systems are complete.     

缆机起重作业驾驶员的操作行为可靠性研究

缆机是大坝浇筑过程中的主要运输设备之一,缆机驾驶员操作水平直接关系缆机起重作业安全.为有效提高缆机起重作业驾驶员操作行为可靠性,预防起重作业安全事故,针对缆机起重作业周期性多维运动的特点,分解驾驶员操作流程;剖析操作行为失误,建立驾驶员行为模式;从时间角度量化操作流程,计算缆机驾驶员操作行为响应失误概率;构建操作行为可靠性分析模型,定量表达操作行为可靠性,分析人因失误对缆机起重作业安全事故的影响.结果表明,吊具与吊罐对接、混凝土卸料等作业过程的缆机驾驶员操作行为可靠性低,需加强安全培训,严格考核制度,从根本上提高缆机驾驶员操作行为的可靠性,以期提升缆机生产效率,实现预防安全事故的目标.     

Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package

Alchemical free energy (AFE) calculations based on molecular dynamics (MD) simulations are key tools in both improving our understanding of a wide variety of biological processes and accelerating the design and optimization of therapeutics for numerous diseases. Computing power and theory have, however, long been insufficient to enable AFE calculations to be routinely applied in early stage drug discovery. One of the major difficulties in performing AFE calculations is the length of time required for calculations to converge to an ensemble average. CPU implementations of MD‐based free energy algorithms can effectively only reach tens of nanoseconds per day for systems on the order of 50,000 atoms, even running on massively parallel supercomputers. Therefore, converged free energy calculations on large numbers of potential lead compounds are often untenable, preventing researchers from gaining crucial insight into molecular recognition, potential druggability and other crucial areas of interest. Graphics Processing Units (GPUs) can help address this. We present here a seamless GPU implementation, within the PMEMD module of the AMBER molecular dynamics package, of thermodynamic integration (TI) capable of reaching speeds of >140 ns/day for a 44,907‐atom system, with accuracy equivalent to the existing CPU implementation in AMBER. The implementation described here is currently part of the AMBER 18 beta code and will be an integral part of the upcoming version 18 release of AMBER. © 2018 Wiley Periodicals, Inc.     

针对连续变化法测定络合物稳定常数实验中可能出现的设计缺陷的讨论

连续变化法测定络合物组成和稳定常数是大学化学中的经典学生实验。但针对1：2和1：3的络合反应，实验教科书的设计中可能出现数据点过少也就是溶液配制过少的问题。如果按照要求配制溶液，由于没有完全反应的混合溶液，而其他混合溶液给出的数据又都呈良好的线性，就缺少了用来估算曲线的数据点，结果是，将没有足够的数据对稳定常数进行估算。对这种可能出现的数据点过少的实验设计的原因、结果和解决方法进行了探讨。