Evaluation of Multicenter Electronic Attraction, Electric Field and Electric Field Gradient Integrals with Screened and Nonscreened Coulomb Potentials over Integer and Noninteger n Slater Orbitals

By the use of complete orthonormal sets of -exponential-type orbitals, where ( = 1, 0, –1, –2,...) the multicenter electronic attraction (EA), electric field (EF) and electric field gradient (EFG) integrals of nonscreened and Yukawa-like screened Coulomb potentials are expressed through the two-center overlap integrals with the same screening constants and the auxiliary functions introduced in our previous paper (I.I. Guseinov, J. Phys. B, 3 (1970) 1399). The recurrence relations for auxiliary functions are useful for the calculation of multicenter EA, EF and EFG integrals for arbitrary integer and noninteger values of principal quantum numbers, screening constants, and location of slater-type orbitals. The convergence of the series is tested by calculating concrete cases.     

桑白皮中21种无机元素的测定及其质量评价

为准确了解不同产区桑白皮中多种元素分布及含量情况,用65%硝酸溶液对其样品进行微波消解处理,后采用电感耦合等离子体质谱（ICP-MS/MS）法测定桑白皮样品中21种元素的含量。得到21种元素的线性关系良好,R2 > 0.999,方法学考察试验的RSD均小于3%,加样回收率在91.32%~108.84%之间,RSD均小于4%;Al、Ga、Sr、Ba相比而言含量较大,且不同产区的特异性较明显;主成分分析中17批样品得到4个主成分,累计方差贡献率达 87.380%,确定V、Co、Al、Li、As、Se、Pb、U、Zn、Cr、Cd、Ga、Ba、Cs、Ni等15种元素为桑白皮药材的特征元素;相关性分析可知,元素间的相关性较强, P≤0.05的元素与主成分分析的特征元素基本一致。参照2020年版《中国药典》中对中药材中有害元素的限量规定,发现桑白皮样品中Pb、Cd、As、Cu有害元素的含量均未超过限量要求。ICP-MS/MS能准确快速测定桑白皮中21种元素含量情况,这对评价不同产区桑白皮质量,完善桑白皮质量标准具有一定参考价值。     

Chemometric Analysis of Urinary Volatile Organic Compounds to Monitor the Efficacy of Pitavastatin Treatments on Mammary Tumor Progression over Time

Volatile organic compounds (VOCs) in urine are potential biomarkers of breast cancer. Previously, our group has investigated breast cancer through analysis of VOCs in mouse urine and identified a panel of VOCs with the ability to monitor tumor progression. However, an unanswered question is whether VOCs can be exploited similarly to monitor the efficacy of antitumor treatments over time. Herein, subsets of tumor-bearing mice were treated with pitavastatin at high (8 mg/kg) and low (4 mg/kg) concentrations, and urine was analyzed through solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry (GC-MS). Previous investigations using X-ray and micro-CT analysis indicated pitavastatin administered at 8 mg/kg had a protective effect against mammary tumors, whereas 4 mg/kg treatments did not inhibit tumor-induced damage. VOCs from mice treated with pitavastatin were compared to the previously analyzed healthy controls and tumor-bearing mice using chemometric analyses, which revealed that mice treated with pitavastatin at high concentrations were significantly different than tumor-bearing untreated mice in the direction of healthy controls. Mice treated with low concentrations demonstrated significant differences relative to healthy controls and were reflective of tumor-bearing untreated mice. These results show that urinary VOCs can accurately and noninvasively predict the efficacy of pitavastatin treatments over time.     

信息不对称条件下激励方案的选择与比较研究

基于委托－代理理论的Mirrlees-Holmstrom模型,对信息不对称条件下激励方案的设计和选择作了分析和比较,结果表明,不同激励方案的激励效果取决于不确定性的相关系数,提出了在管理实践中还要结合方案的可操作性以及确定相应的激励机制。     

有监督主成分回归法在近红外光谱定量分析中的应用研究

介绍了运用有监督主成分回归法建立近红外光谱定量分析模型的原理和方法.利用该方法先进行近红外光谱定量分析建模的波长信息选择,达到降低光谱数据维数的目的,然后建立数学模型,并用其分析预测集样品.文中以66个小麦样品为实验材料,随机选择其中40个样品建立小麦样品中蛋白质含量的近红外光谱定量分析模型,首先优选出4个波长点:4 632,4 636,5 994,5 997 cm-1,利用这4个波长点处光谱信息建立主成分回归模型预测26个样品的蛋白质含量,其结果与凯氏定氮法分析结果的相关系数为0.991,平均相对误差为1.5%.该方法从大量光谱数据中筛选出最重要的部分波长信息,实现了"少而精"的波长点选择,对建立抗共线性信息干扰的光谱定量分析模型,同时对指导专用近红外分析仪器设计中波长点的选择等方面都有一定的意义.     

Sub-leading flow modes in PbPb collisions at sNN = 2.76 TeV from the HYDJET++ model

Recent LHC results on the appearance of sub-leading flow modes in PbPb collisions at 2.76 TeV, related to initial-state fluctuations, are analyzed and interpreted within the HYDJET++ model. Using the newly introduced Principal Component Analysis (PCA) method applied to two-particle azimuthal correlations extracted from the model calculations, the leading and sub-leading flow modes are studied as a function of the transverse momentum (p_T) over a wide centrality range. The leading modes of the elliptic (v₂⁽¹⁾) and triangular (v₃⁽¹⁾) flow calculated with the HYDJET++ model reproduce rather well the v₂{2} and v₃{2} coefficients measured experimentally using the two-particle correlations. Within the p_T ≤ 3 GeV/c range, where hydrodynamics dominates, the sub-leading flow effects are greatest at the highest p_T of around 3 GeV/c. The sub-leading elliptic flow mode (v₂⁽²⁾), which corresponds to the n = 2 harmonic, has a small non-zero value and slowly increases from central to peripheral collisions, while the sub-leading triangular flow mode (v₃⁽²⁾), which corresponds to the n = 3 harmonic, is even smaller and does not depend on centrality. For n = 2, the relative magnitude of the effect measured with respect to the leading flow mode shows a shallow minimum for semi-central collisions and increases for very central and for peripheral collisions. For the n = 3 case, there is no centrality dependence. The sub-leading flow mode results obtained from the HYDJET++ model are in rather good agreement with the experimental measurements of the CMS Collaboration.     

基于低阶矩阵最大特征值的复杂网络牵制混沌同步

虽已对复杂网络牵制同步需要牵制结点数量及牵制结点数量与耦合强度的关系进行了研究,然而快速计算牵制结点数量仍是大规模复杂网络面临的一个重要问题.研究发现了复杂网络耦合矩阵主子阵最大值递减规律,由此提出了快速计算复杂网络牵制结点数量的方法,揭示了不同的牵制策略与牵制结点数量之间的关系.数值仿真显示了在无标度网络和小世界网络上三种不同的牵制策略下,牵制结点数与主子阵最大特征值的变化规律;最后给出了一个在无标度网络上采用随机选择结点策略的牵制同步实例.     

渐进多焦点镜片的逐点定向曲率补偿优化设计

提出一种利用逐点定向曲率补偿法对渐进多焦点镜片初始模型进行整体优化以减小周边散光区（俗称盲区）的优化设计方法。推导出自由曲面任意方向法曲率的计算公式、确定主曲率和主方向的方法,求出镜片初始模型上各点的曲率差和最大曲率方向、最小曲率方向,通过迭加由不同曲率、不同轴向微小柱面构成的自由曲面,来实现逐点定向曲率补偿,使镜片各点的曲率差适当减小,从而减小散光。给出具体优化步骤和一个优化设计实例,并进行实际加工制作与检测。对比优化前后的光焦度和散光度的面形分布图。结果表明,逐点定向曲率补偿法能有效减小渐进多焦点镜片初始模型的最大散光并明显扩大视远区清晰视觉范围。     

各向同性钢材的断裂模型和屈服模型

基于钢材断裂前必先屈服的基本事实, 以钢材断裂面为屈服面后继扩大直至材料完整性(连续性）发生破坏为假设, 以已有的屈服模型的共同特征为切入点, 建议了各向同性钢材在主应力空间的二次函数型断裂模型和屈服模型. 根据不同钢材的特征应力值, 量化了各向同性钢材的二次函数型断裂模型和屈服模型. 依据不同钢材的特征应力值的相互关系, 建议的各向同性钢材的二次函数型断裂模型和屈服模型相应地描述为主应力空间的圆柱面、椭球面、抛物面和双曲面. 建议的各向同性钢材的二次函数型断裂模型和屈服模型较已有的强度模型更具一般性.     

定第二主点变焦光学系统

根据透镜组基点性质和透镜组可变焦原理 ,设计定第二主点变焦光学系统。该系统用于视力矫正 ,在变焦过程中 ,“眼镜片光心”相对于眼睛的位置保持不变 ,是一种新型的光学变焦系统。用它可对近视、远视、散光等非正视眼进行快捷、准确的验光。