近红外“3R”法双谱自适应去噪

针对近红外透射和吸收双光谱提出一种自适应的去噪方法。同步采集样品的近红外透射谱和吸收谱,在相同分解原则下总体经验模态法分解两组光谱,得到单组分特征模态分量。计算特征模态分量与原透射谱、吸收谱之间相关性,以及两组特征模态分量之间相关性,相关性最小模态分量初判为噪声分量。分析该分量在光谱中点处自相关性,若中点处很大,其他点几乎为零或很小,可以判断该分量为噪声。这种基于模态分量相关性的噪声判别方法称为“3R”法则。剔除噪声分量,重构光谱信号,循环上述分解过程,直到不满足“3R”法则,降噪过程结束。构造理想光谱,叠加噪声,“3R”法降噪效果优于EMD和EEMD低通滤波器,略逊于小波分解。真实光谱实验中,经过上述方法降噪处理过的玉米叶片光谱采用3层BP神经网络建立与叶绿素之间预测模型,“3R”法处理模型具有最大校正相关系数和预测相关系数,最小校正标准差和预测标准差。在四种降噪方法中,“3R”法对光谱谱峰位置和峰高的影响最小。实验表明,“3R”双谱去噪方法无需预设迭代次数,不用考虑分解层数,没有基函数,是自适应的,该方法适合近红外光谱去噪。     

Analysis of the decay B0→χclπ0 with light-cone QCD sum rules

In this article,we calculate the contribution from the nonfactorizable soft hadronic matrix element to the decay B~0→χc1~π~0 with the light-cone quantum chromo-dynamic(QCD) sum rules.The numerical results show that its contribution is rather large and should not be neglected.The total amplitudes lead to a branching fraction which is in agreement with the experimental data marginally.     

水相Reformatsky反应研究进展

近30年来,在水介质中形成碳-碳键一直是有机合成的研究热点.本文综述了水相中Reformatsky反应的研究进展,并对反应机理和应用作了简要的阐述.     

Adsorption of sodium ions and hydrated sodium ions on a hydrophobic graphite surface via cation-π interactions

Using density functional theory computation, we show that sodium ions and hydrated sodium ions can be strongly adsorbed onto a hydrophobic graphite surface via cation-π interactions. The key to this cation-π interaction is the coupling of the delocalized π states of graphite and the empty orbitals of sodium ions. This finding implies that the property of the graphite surface is extremely dependent on the existence of the ions on the surface, suggesting that the hydrophobic property of the graphite surface may be affected by the existence of the sodium ions.     

Scalar Hidden-Charm Tetraquark States with QCD Sum Rules

In this article, we study the masses and pole residues of the pseudoscalar-diquark-pseudoscalar-antidiquark type and vector-diquark-vector-antidiquark type scalar hidden-charm cud(cus) tetraquark states with QCD sum rules by taking into account the contributions of the vacuum condensates up to dimension-10 in the operator product expansion.The predicted masses can be confronted with the experimental data in the future. Possible decays of those tetraquark states are also discussed.     

铈γ→α相变的室温动态特性

通过试样组件尺寸匹配设计的被动围压SHPB实验,获得了99.8%纯铈在1.7GPa静水压内的、包含γ?α相变和逆相变过渡区的室温动态静水压-体应变连续曲线。研究显示:室温铈γ→α相变是具有明显滞后现象的一级相变,而非以往研究认为的体积跃变的一级相变;相变过渡区的静水压范围是0.8~1.3GPa。逆相变过渡区的静水压范围是0.6~1.1GPa;逆相变过渡区的静水压-体应变曲线滞后于相变过渡区的静水压-体应变曲线0.15GPa静水压;在相变和逆相变过渡区内,静水压-体应变曲线按照约4.2GPa体积模量的线性关系演化;演化机制为γ和α两相均匀混合、静水压驱动两相组份转化。基于该演化机制,构建了描述相变前后和相变过程的静水压-体应变响应的三段线性模型。     

Effects of 5f-elements on electronic structures and spectroscopic properties of gold superatom model

5f-elements encaged in a gold superatomic cluster are capable of giving rise to unique optical properties due to their hyperactive valence electrons and great radial components of 5f/6d orbitals. Herein, we review our first-principles studies on electronic structures and spectroscopic properties of a series of actinide-embedded gold superatomic clusters with different dimensions. The three-dimensional(3D) and two-dimensional(2D) superatom clusters possess the 18-electron configuration of 1S21P61D10 and 10-electron configuration of 1S21P41D4, respectively. Importantly, their electronic absorption spectra can also be effectively explained by the superatom orbitals. Specifically, the charge transfer(CT) transitions involved in surface-enhance Raman spectroscopy(SERS) spectra for 3D and 2D structures are both from the filled 1D orbitals, providing the enhancement factors of the order of ～ 104 at 488 nm and ～ 105 at 456 nm, respectively. This work implies that the superatomic orbital transitions involved in 5f-elements can not only lead to a remarkable spectroscopic performance, but also a new direction for optical design in the future.     

叶绿素荧光技术对受Cu~(2+)胁迫藻类暗适应时间的研究

利用叶绿素荧光技术,对受相同浓度Cu2+胁迫的蛋白核小球藻、斜生栅藻、铜绿微囊藻的最佳暗适应时间进行研究.通过对三种供试藻在光照和暗适应时间分别为30s、1min、3min、5min、10min和20min条件下的光合荧光参量进行测定,以光化学淬灭参量值为主要参考依据,结合t检验方法对暗适应时间进行显著性差异分析,结果表明:暗适应条件下三种供试藻的潜在最大量子效率值略有增加,实际量子效率值基本保持不变;蛋白核小球藻和斜生栅藻的光化学淬灭参量值和非光化学淬灭参量值随暗适应时间的延长显著增加;铜绿微囊藻光化学淬灭参量值在光照1min时达到最大,无需进行暗适应,这可能与蓝藻在暗适应时发生状态转换有关;藻类不是暗适应时间越长越好,蛋白核小球藻和斜生栅藻的最佳暗适应时间分别为5min和10min.这将为采用叶绿素荧光技术进一步研究毒物对藻类的胁迫机理提供可靠依据.     

3D shape measurement of larger complex objects based on fringe cycle correction

The grating fringe on the reference plane is broadened in the intersecting axis system because of oblique-angle projection. In order to solve this problem, we study the theoretical model of the temporal phase unwrapping method based on the fringe cycle correction. We also study the 3D shape measurement theoretical model of the larger complex objects after considering the coordinate deviation and lens distortion. Experimental results demonstrate that the fringe cycle on the reference plane can be corrected to a constant value, the lens distortion can be corrected, and 3D shape of larger complex objects can be accurately measured.