成都市三环地区地基土壤氡含量测量

对成都市三环地区地基土壤中氡含量进行了检测,掌握了区域性氡含量的分布状况,探讨了整个成都市待建地坪基础中的放射性水平,并佐以对成都市地质构造的浅析,为今后城市化进程中的新建、扩建建筑的地下防氡设计提供依据,以最终提升市民的生活环境质量。     

(p, ρ, T) properties, and apparent molar volumes V? of ZnBr2 in methanol at T = (298.15 to 398.15) K and pressures up to p = 40 MPa

The (p, ρ, T) properties of pure methanol, the (p, ρ, T) properties and apparent molar volumes V_? of ZnBr₂ in methanol at T = (298.15 to 398.15) K and pressures up to p = 40 MPa are reported, and apparent molar volumes have been evaluated. The experimental (p, ρ, T, m) values were described by an equation of state. For the solutions the experiments were carried out at molalities m = (0.05772, 0.37852, 0.71585 and 1.95061) mol · kg⁻¹ of zinc bromide.     

突破学生学习有机化学思维障碍的教学实践研究

通过对目前在校的高三学生进行前期调查找到学生学习有机化学的思维障碍,针对学生的思维障碍进行了高二有机化学模块整体教学设计,并进行了具体的课堂实施。以2节针对不同层次学生的区级公开课“醛”为例,研究教师的教学行为和学生表现之间的相关性,通过前测和后测的对比证实有针对性的教学设计及实施能突破学生的思维障碍,为进一步研究有机化学教学的有效性提供参考。     

Is the DPT tautomerization of the long A·G Watson–Crick DNA base mispair a source of the adenine and guanine mutagenic tautomers? A QM and QTAIM response to the biologically important question

Herein, we first address the question posed in the title by establishing the tautomerization trajectory via the double proton transfer of the adenine·guanine (A·G) DNA base mispair formed by the canonical tautomers of the A and G bases into the A*·G* DNA base mispair, involving mutagenic tautomers, with the use of the quantum‐mechanical calculations and quantum theory of atoms in molecules (QTAIM). It was detected that the A·G ? A*·G* tautomerization proceeds through the asynchronous concerted mechanism. It was revealed that the A·G base mispair is stabilized by the N6H···O6 (5.68) and N1H···N1 (6.51) hydrogen bonds (H‐bonds) and the N2H···HC2 dihydrogen bond (DH‐bond) (0.68 kcal·mol^?1), whereas the A*·G* base mispair—by the O6H···N6 (10.88), N1H···N1 (7.01) and C2H···N2 H‐bonds (0.42 kcal·mol^?1). The N2H···HC2 DH‐bond smoothly and without bifurcation transforms into the C2H···N2 H‐bond at the IRC = ?10.07 Bohr in the course of the A·G ? A*·G* tautomerization. Using the sweeps of the energies of the intermolecular H‐bonds, it was observed that the N6H···O6 H‐bond is anticooperative to the two others—N1H···N1 and N2H···HC2 in the A·G base mispair, while the latters are significantly cooperative, mutually strengthening each other. In opposite, all three O6H···N6, N1H···N1, and C2H···N2 H‐bonds are cooperative in the A*·G* base mispair. All in all, we established the dynamical instability of the А*·G* base mispair with a short lifetime (4.83·10^?14 s), enabling it not to be deemed feasible source of the A* and G* mutagenic tautomers of the DNA bases. The small lifetime of the А*·G* base mispair is predetermined by the negative value of the Gibbs free energy for the A*·G* → A·G transition. Moreover, all of the six low‐frequency intermolecular vibrations cannot develop during this lifetime that additionally confirms the aforementioned results. Thus, the A*·G* base mispair cannot be considered as a source of the mutagenic tautomers of the DNA bases, as the A·G base mispair dissociates during DNA replication exceptionally into the A and G monomers in the canonical tautomeric form. © 2013 Wiley Periodicals, Inc.     

化学与社会课程授课方式探讨

重点讲述了北京科技大学“化学与社会”课程课堂讲授方式的改革与实践,并与传统授课模式的效果进行了比较,提出在教学大纲范畴内,以“教无定法”为思想宗旨,使得大学化学课堂的授课方式呈现多样性,并在实践中取得了很好的教学效果.     

Ab initio potential energy surface and vibration–rotation energy levels of germanium dicarbide,GeC2

The accurate ground‐state potential energy surface of germanium dicarbide, GeC₂, has been determined from ab initio calculations using the coupled‐cluster approach. The core–electron correlation, higher‐order valence‐electron correlation, and scalar relativistic effects were taken into account. The potential energy surface of GeC₂ was shown to be extraordinarily flat near the T‐shaped equilibrium configuration. The potential energy barrier to the linear CCGe configuration was predicted to be 1218 cm⁻¹. The vibration–rotation energy levels of some GeC₂ isotopologues were calculated using a variational method. The vibrational bending mode ν₃ was found to be highly anharmonic, with the fundamental wavenumber being only 58 cm⁻¹. Vibrational progressions due to this mode were predicted for the , , and states of GeC₂. © 2018 Wiley Periodicals, Inc.     

Regression curves for vibration transmission across junctions of heavyweight walls and floors based on finite element methods and wave theory

Sound insulation prediction models in European and International Standards use the vibration reduction index to calculate flanking transmission across junctions of walls and floors. These standards contain empirical relationships between the ratio of mass per unit areas for the walls/floors that form the junction and a frequency-independent vibration reduction index. However, calculations using wave theory show that there is a stronger relationship between the ratio of characteristic moment impedances and the transmission loss from which the vibration reduction index can subsequently be calculated. In addition, the assumption of frequency-independent vibration reduction indices has been shown to be incorrect due to in-plane wave generation at the junction. Therefore numerical experiments with FEM, SFEM and wave theory have been used to develop new regression curves between these variables for the low-, mid- and high-frequency ranges. The junctions considered were L-, T- and X-junctions formed from heavyweight walls and floors. These new relationships have been implemented in the prediction models and they tend to improve the agreement between the measured and predicted airborne and impact sound insulation.     

Octupole deformation for Ba isotopes in a reflection-asymmetric relativistic mean-field approach

The potential energy surfaces of even-even 142-156Ba are investigated in the constrained reflectionasymmetric relativistic mean-field approach with parameter set PK1. It is shown that for the ground states, 142Ba is near spherical,156Ba well quadrupole-deformed, and in between 144-154Ba octupole deformed. In particular, the nuclei 148,150Ba with N=92, 94 have the largest octupole deformations. By including the octupole degree of freedom, energy gaps N = 88, N = 94 and Z = 56 near Fermi surfaces for the singleparticle levels in 148Ba with β2 ～ 0.26 and β3 ～ 0.17 are found. Furthermore, the performance of the octupole deformation driving pairs （ν2f7/2, ν1i13/2） and （π2d5/2, π1h11/2） is demonstrated by analyzing the singleparticle levels near Fermi surfaces in 148Ba.     

ZnO薄膜微结构变化对光电特性的影响

使用脉冲激光淀积(PLD)技术在n型Si衬底上沉积氧化锌(ZnO)薄膜,在O2气氛下对样品进行了500℃(Sample1,S1),600℃(Sample2,S2),700℃(Sample3,S3)和800℃(Sample4,S4)退火,随后进行了X射线衍射(XRD)谱,椭偏光折射率,热激电流(TSC)和电容-电压(C-V)的测量。研究发现:S1中晶界的电子陷阱由高浓度的深能级杂质(Zni)提供的电子填充,该能级位于ET=EC-0.24±0.08eV。S3中出现与中性施主(D0)有关的深能级中心,其ET=EC-0.13±0.03eV,推测D0的出现与高温氧气条件退火下晶界处形成的复合体缺陷有关。XRD和椭偏光折射率测量结果表明:氧气对ZnO薄膜微结构的修饰是改变ZnO/Si结构光电特性的主要因素。     

基于相位分析的时间平均数字全息测振研究

传统的时间平均全息术通过对再现像光强分布的测量来实现振幅分布的检测,由于噪音影响往往得不到满意的结果.第一类零阶贝塞尔函数相位只有0和π两个取值,所以利用再现光场的相位可以确定振幅分布.理论分析发现,以往的讨论忽略了照明光之间位移引起的相位变化,研究通过叠加一个相位因子对此进行了修正,并利用贝塞尔函数平方的相位特点提出了消除该相位因子的办法.实验结果表明,该相位因子确实存在并影响测量,用本文所提出的方法可以很好地消除该相位因子的影响,使利用时间平均数字全息再现光场的相位检测振动物体的振幅分布变得方便和准确.