Unique role of non-mercapto groups in thiol-pinning-mediated Ag growth on Au nanoparticles

Owing to the strong affinity of thiols to Au and Ag, they are often employed to modify the surfaces of nanoparticles (NPs). Recently, these strong ligand-interface interactions have been employed to control NP growth, and this technique has emerged as a unique modulation strategy for creating unconventional plasmonic hybrid nanostructures. In these systems, the roles of the non-mercapto components of the thiol molecules and their structures are still unknown. Therefore, we herein present our investigation into this phenomenon. Primary amino (–NH₂) groups in thiols are found to play a key role in regulating growth kinetics, i.e., in accelerating Ag deposition on Au NPs. The–NH₂ groups are thought to bring Ag ions to the particle surface by coordinating to them, and thereby assist their reduction. The effect of molecular structure is non-trivial and thus provides the possibility of selective thiol detection. Based on the dependence of kinetic modulation on the non-mercapto components and molecular structures of molecules, we demonstrate the highly sensitive and specific detection of cysteine (limit of detection: 6 nM) in a mixture of 19 natural amino acids based on Ag growth on Au nanospheres. In addition, based on this modulation effect, we reveal the entrapping of chiral thiols within the growth layer through their plasmonic circular dichroism (PCD) responses. We believe that thiol-based growth regulation has great potential for creating plasmonic nanostructures with novel functionalities.

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A relativistic extension of the complex scaling method using oscillator basis functions

We develop the complex scaling method within the relativistic framework by expanding the Dirac spinors in the complete set of eigensolutions of a harmonic oscillator potential, and present the theoretical formalism of describing the discrete bound and resonant states on the same footing. Based on a well established and frequently used model, we demonstrate the utility and applicability of the extended method and examine the stability of the results with respect to the variations of the parameters of the model. Satisfactory agreements are found for all the calculated results in comparison with some other calculations in references. Especially, the present calculation in the nonrelativistic limit gives a consistent result with that in the nonrelativistic calculation.     

3种本质安全评价方法在EDC过程中的应用研究

简要叙述ISI、i-safe和IBI 3种典型的本质安全评价方法,说明其含有的参数及指数的计算方法;然后使用这3种方法评价了直接氯化法、氧氯化法、改进的氧氯化法3个EDC生产流程.评价结果表明:不同方法评价相同的几个过程,得到的各过程安全性的高低是一致的:直接氯化法最高、氧氯化法次之、改进的氧氯化法安全性最差:评价同一个流程时,ISI法评价得到的数值最大,i-Safe法次之,IBI法最小.结合评价的过程从参数的个数及覆盖面的大小、参数取值的主观性程度、获取所需信息的难易程度和结果的灵敏性4方面比较和分析3种评价方法,最后总结得到3种方法中IBI法的优势最大.     

ADAPTIVE RANKS CLONE AND k‐NEAREST NEIGHBOR LIST–BASED IMMUNE MULTI‐OBJECTIVE OPTIMIZATION

Artificial immune systems (AIS) are computational systems inspired by the principles and processes of the vertebrate immune system. The AIS‐based algorithms typically exploit the immune system's characteristics of learning and adaptability to solve some complicated problems. Although, several AIS‐based algorithms have proposed to solve multi‐objective optimization problems (MOPs), little focus have been placed on the issues that adaptively use the online discovered solutions. Here, we proposed an adaptive selection scheme and an adaptive ranks clone scheme by the online discovered solutions in different ranks. Accordingly, the dynamic information of the online antibody population is efficiently exploited, which is beneficial to the search process. Furthermore, it has been widely approved that one‐off deletion could not obtain excellent diversity in the final population; therefore, a k‐nearest neighbor list (where k is the number of objectives) is established and maintained to eliminate the solutions in the archive population. The k‐nearest neighbors of each antibody are founded and stored in a list memory. Once an antibody with minimal product of k‐nearest neighbors is deleted, the neighborhood relations of the remaining antibodies in the list memory are updated. Finally, the proposed algorithm is tested on 10 well‐known and frequently used multi‐objective problems and two many‐objective problems with 4, 6, and 8 objectives. Compared with five other state‐of‐the‐art multi‐objective algorithms, namely NSGA‐II, SPEA2, IBEA, HYPE, and NNIA, our method achieves comparable results in terms of convergence, diversity metrics, and computational time.     

Stable local dimensionality reduction approaches

Dimensionality reduction is a big challenge in many areas. A large number of local approaches, stemming from statistics or geometry, have been developed. However, in practice these local approaches are often in lack of robustness, since in contrast to maximum variance unfolding (MVU), which explicitly unfolds the manifold, they merely characterize local geometry structure. Moreover, the eigenproblems that they encounter, are hard to solve. We propose a unified framework that explicitly unfolds the manifold and reformulate local approaches as the semi-definite programs instead of the above-mentioned eigenproblems. Three well-known algorithms, locally linear embedding (LLE), laplacian eigenmaps (LE) and local tangent space alignment (LTSA) are reinterpreted and improved within this framework. Several experiments are presented to demonstrate the potential of our framework and the improvements of these local algorithms.     

基于混合聚类的城市道路多时段控制研究*

多方案控制具有简单实用、可靠性好,稳定性高,性价比高等的优点,在城市交通控制中得到了广泛应用。本研究在利用指数平滑异同移动平均法对缺失交通数据进行修补的基础上,运用快速聚类与系统聚类相结合的混合聚类方法对交通数据进行分析,并以经典的Silhouttte评价指标作为聚类终止条件,同时兼顾/考虑了交通数据时序性,消除聚类结果中的三类“奇异点”,最后利用交通信号配时软件SYNCHRO制定了相应时段的控制方案。相关的案例分析显示,优化后的多时段控制方案可以更好地适应交通流的波动,车均延误减少9.79%,其中时序性考虑可以有效改善控制方案频繁切换对交通流的扰动,避免其负效应对混合聚类改善效果的影响。     

Simultaneous state estimation and parameter identification in linear fractional order systems using coloured measurement noise

In the present paper, the identification and estimation problem of a single-input–single-output (SISO) fractional order state-space system will be addressed. A SISO state-space model is considered in which parameters and also state variables should be estimated. The canonical fractional order state-space system will be transformed into a regression equation by using a linear transformation and a shift operator that are appropriate for identification. The identification method provided in this paper is based on a recursive identification algorithm that has the capability of identifying the parameters of fractional order state-space system recursively. Another subject that will be addressed in this paper is a novel fractional order Kalman filter suitable for the systems with coloured measurement noise. The promising performance of the proposed methods is verified using two stable fractional order systems.