基于咔唑-三嗪并吲哚的N-酰腙衍生物的NMR数据归属

N-酰腙类化合物在极性溶剂中存在着E/cis和E/trans两种异构体,本文利用元素分析、红外光谱、1D和2D核磁共振（NMR）波谱（包括¹H NMR、¹³C NMR、¹H-¹H COSY、¹H-¹³C HSQC、¹H-¹³C HMBC和NOESY）等技术,对基于咔唑-三嗪并吲哚的新型N-酰腙衍生物3,即2-（5H-[1,2,4]三嗪[5,6-b]吲哚-3-硫基）-N'-（9-乙基咔唑-3-亚甲基）乙酰肼的两种异构体（E/cis和E/trans）的¹H和¹³C NMR信号进行了全归属,测量了其偶合常数（J值）及两种异构体的含量,确定了其空间结构.     

The contribution of 2N photon absorption in C(γ,2N) reactions for Eγ = 150–400 MeV

The ¹²C(γ,pn) and ¹²C(γ,pp) reactions have been studied using tagged photons of energy E_γ = 150–400 MeV. Recoil momentum distributions are compared to the results of Monte Carlo calculations based on a two-nucleon photon absorption model and two different phase space models. The ¹²C(γ,pn) data at low missing energy are consistent with absorption on 1p² and 1s1p nucleon pairs.     

Constraint on nuclear symmetry energy imposed by f-mode oscillation of neutron stars

Due to improvements in the sensitivity of gravitational wave (GW) detectors, the detection of GWs originating from the fundamental quasi-normal mode (f-mode) of neutron stars has become possible. The future detection of GWs originating from the f-mode of neutron stars will provide a potential way to improve our understanding of the nature of nuclear matter inside neutron stars. In this work, we investigate the constraint imposed by the f-mode oscillation of neutron stars on the symmetry energy of nuclear matter using Bayesian analysis and parametric EOS. It is shown that if the frequency of the f-mode of a neutron star of known mass is observed precisely, the symmetry energy at twice the saturation density (E_sym(2ρ₀)) of nuclear matter can be constrained within a relatively narrow range. For example, when all the following parameters are within the given intervals: 220 ≤ K₀ ≤ 260 MeV, 28 ≤ E_sym(ρ₀) ≤ 36 MeV, 30 ≤ L ≤ 90 MeV, −800 ≤ J₀ ≤ 400 MeV, − 400 ≤ K_sym ≤ 100 MeV, −200 ≤ J_sym ≤ 800 MeV, E_sym(2ρ₀) will be constrained to within ${48.8}_{-5.5}^{+6.6}$ MeV if the f-mode frequency of a canonical neutron star (1.4 M_⊙) is observed to be 1.720 kHz with a 1% relative error. Furthermore, if only f-mode frequency detection is available, i.e. there is no stellar mass measurement, a precisely detected f-mode frequency can also impose an accurate constraint on the symmetry energy. For example, given the same parameter space and the same assumed observed f-mode frequency mentioned above, and assuming that the stellar mass is in the range of 1.2–2.0 M_⊙, E_sym(2ρ₀) will be constrained to within ${49.5}_{-6.8}^{+8.1}\,\mathrm{MeV}$. In addition, it is shown that a higher slope of 69 ≤ L ≤ 143 MeV will give a higher posterior distribution of E_sym(2ρ₀), ${53.8}_{-6.4}^{+7.0}\,\mathrm{MeV}$.     

Structural properties of diamond fine particles and clusters prepared by detonation and decomposition of TNT

The thermal parameter B for three different particle sizes of diamond samples (bulk powder 1–4 μm, fine particle 144–195 Å and cluster 55–61 Å) was determined by the grazing incidence X-ray diffraction method. The values of B were found to be in the range 0.50–0.70 Å² for particles in the size range 195–55 Å and 0.27 Å² for 1–4 μm. All of them are larger than that of diamond bulk. A clear size dependence of B, increasing with decreasing particle size, was found. By analysing X-ray diffraction data at several temperatures the magnitude of B was found to be due to B_S (static part) instead of B_T (dynamic part). The average B_S values obtained were 0.04 Å², 0.19 Å² and 0.27 Å² for bulk powder, fine particle and cluster samples respectively. Ultrahigh resolution transmission electron microscope (TEM) observation confirmed the presence of strain, distortion, roughness and dislocation lines in many particles. TEM images of particles indicate that the clusters were not spherical in shape; they were mostly cubiform and some were truncated prism-like polyhedral. The present study reveals that the B_S component is responsible for the large B value in diamond fine particles and clusters. No clear surface local atomic distortion was found in the particles.     

Systematic study of α decay half-lives for even–even nuclei within a deformed two-potential approach

In this work, we systematically study the α decay half-lives of 196 even–even nuclei using a two-potential approach improved by considering nuclear deformation. The results show that the accuracy of this model has been improved after considering nuclear deformation. In addition, we extend this model to predict the α decay half-lives of Z = 118 and 120 isotopes by inputting the α decay energies extracted from the Weizsacker–Skyrme-type (WS-type) mass model, a simple nuclear mass formula, relativistic continuum Hartree–Bogoliubov theory and Duflo-Zuker-19 (DZ19) mass model. It is useful for identifying the new superheavy elements or isotopes for future experiments. Finally, the predicted α decay energies and half-lives of Z = 118 and 120 isotopes are analyzed, and the shell structure of superheavy nuclei is discussed. It shows that the shell effect is obvious at N = 184, while the shell effect at N = 178 depends on the nuclear mass model.     

3S1–3D1 coupled channel ΛcN interactions:chiral effective field theory versus lattice QCD

We study the lattice QCD Λ_cN phase shifts for the ³S₁-³D₁ coupled channel using both the leading order covariant chiral effective theory and the next-to-leading order non-relativistic chiral effective field theory(ChEFT).We show that although it is possible to describe simultaneously the ³S₁ and ³D₁ phase shifts and the inelasticity η₁,the fitted energy range is quite small,only up to E<...     

卢立康唑的波谱学特征和结构确证

用红外吸收光谱、紫外吸收光谱、核磁共振（NMR）波谱（包含¹H NMR、¹³C NMR、DEPT135、¹H-¹H COSY、¹H-¹³C HMQC和¹H-¹³C HMBC）、质谱、差示扫描量热分析、X-射线粉末衍射和元素分析等方法对卢立康唑进行了结构分析.对卢立康唑所有的¹H和¹³C NMR信号进行了归属,并通过多种谱学技术确证了卢立康唑的结构.     

Two-proton radioactivity of exotic nuclei beyond proton drip-line

To search for new candidates of the true and simultaneous two-proton(2 p) radioactivity, the 2 p decay energies(Q2 p) are extracted by the Weizs?cker–Skyrme-4(WS4) model, the finite-range droplet model(FRDM), the Koura–Tachibana–Uno–Yamada(KTUY) model and the Hartree–Fock–Bogoliubov mean-field model with the BSk29 Skyrme interaction(HFB29). Then, the 2 p radioactivity half-lives are calculated within the generalized liquid drop model by inputting the four types of Q2 pvalues. By the energy and half-life constraints, it is found that the probable 2 p decay candidates are the nuclei beyond the proton-drip line in the region of Z≤50 based on the WS4 and KTUY mass models. For the FRDM mass model, the probable 2 p decay candidates are found in the region of Z≤44. However, the 2p-decaying candidates are predicted in the region of Z≤58 by the HFB29 mass model. It means that the probable 2 p decay candidates of Z50 are only predicted by the HFB29 mass model. Finally, the competition between the true 2p radioactivity and α-decay for the nuclei above the N=Z=50 shell closures is discussed. It is shown that ~(101)Te,~(111)Ba and ~(114)Ce prefer to 2p radioactivity and the dominant decay mode of ~(107)Xe and ~(116)Ce is α-decay.     

盐酸贝西沙星的波谱学数据与结构确证

盐酸贝西沙星是一种新型的氟喹诺酮类抗菌药物,对盐酸贝西沙星的紫外吸收光谱（UV）、红外吸收光谱（IR）、质谱（MS）、核磁共振（NMR）波谱（包括¹H NMR、¹³C NMR、DEPT、HSQC、HMBC、COSY和NOESY）数据进行了解析,对其所有的¹H和¹³C NMR信号进行了归属,通过多种波谱学技术确证了盐酸贝西沙星的结构.     

Bacillus subtilis转录因子CtsR蛋白中clpC操纵子结合区域的NMR研究

革兰氏阳性菌枯草芽孢杆菌（Bacillus subtilis）响应热刺激时,精氨酸激酶McsB磷酸化转录因子CtsR蛋白中clpC操纵子结合区域的Arg62（R）位点,使得CtsR与clpC操纵子解离,从而启动clpC相关基因的转录过程,以表达细菌应对热刺激所需的蛋白.本文以CtsR蛋白中结合clpC操纵子的区域（KRGGGG）为研究对象,通过对¹H NMR、¹H-¹H COSY、¹H-¹H TOCSY、¹H-¹⁵N HSQC和¹H-¹³C HSQC等谱图的综合分析,对其¹H、¹³C以及¹⁵N的化学位移进行归属,为该片段与clpC操纵子相互作用,以及精氨酸磷酸化调控机制的研究提供基础.     

二氢沉香呋喃倍半萜的2D NMR研究

利用¹H-¹³C相关(¹H-¹³C COSY)谱对1β-乙酰氧基-2β(α-甲基丁酰氧基)-6α-羟基-8β,9α-二苯甲酰氧基-β-二氢沉香呋喃(A),和1β-乙酰氧基-2β(α-甲基丁酰氧基)-6α-羟基-8β(β-呋喃甲酰氧基)-9α-苯甲酰氧基-β-二氢沉香呋喃(B)的¹³C NMR谱化学位移进行了全指定,利用¹H-¹H远程相关(¹H-¹H COSYLR)谱确定了化合物A和B中6-Ha和7-He,8-He和9-He的弱偶合,以及7-He和9-He的弱W型远程偶合.     

Effect of the adiabatic process on the absorption in heavy-ion scattering

We have succeeded in obtaining the optical model potential for ¹²C---¹²C scattering at low incident energies (10 MeV E_cm 20 MeV), by applying the adiabatic approximation to the coupled channels equation. As for this potential inelastic channels of single and mutual excitations of ¹²C^*(2⁺, 4.43 MeV) make a contribution to the real part and not to the imaginary part.     

Inelastic neutrino scattering on C and O above the particle emission threshold

Recently a new formalism has been developed to described nuclear electromagnetic response within the continuum RPA theory. This model is extended in order to calculate cross sections for weak interactions in nuclei, in particular for inelastic neutrino scattering. The results of a numerical analysis are presented for ¹²C and ¹⁶O. We consider neutrino spectra like those generated in muon decay (relevant for terrestrial experiments) or in a supernova explosion. For the latter case we calculate neutral current cross sections for various neutrino-induced particle reactions on ¹²C and ¹⁶O, relevant for the ν-nucleosynthesis.     

Spin alignment in resonant C+O inelastic scattering

The spin alignment of the 3⁻ state (6.13 MeV) of ¹⁶O from inelastic scattering of ¹²C+¹⁶O has been measured in the energy region of known resonances around E_cm=20 MeV. The result, that the population of the m=±3 magnetic substates is enhanced on four resonances at 19.7, 20.5, 22.0 and 22.6 MeV, indicates the dominance of the aligned configuration on these resonances.     

利用1H和13C NMR研究α-取代萘的取代效应

本文研究了一些α-取代萘中不同取代基对萘环¹H和¹³C NMR化学位移的影响,发现随取代基电负性和取代基特性常数的不同,各个位上¹H和¹³C的化学位移变化范围不同,从而对化学位移与取代基电负性及取代基特性常数之间的规律性进行了探讨。实验结果表明,用¹H和¹³C NMR化学位移可鉴别萘衍生物的价键状态、化合物的结构及取代基的性质。     

Determination and analysis of the dispersive optical constants of the 5,5′,6,6′-tetraphenyl-2,2′-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)–DDQ complex thin film

The synthesis and optical properties of the 5,5′,6,6′-tetraphenyl-2,2′-bi([1,3]dithiolo [4,5-b] [1,4]dithiinylidene)–2,3-dichloro-5,6-dicyano-p-benzoquinone (DDQ) complex thin film were investigated by the optical characterization. The optical constants such as refractive index, extinction coefficient and absorption coefficient were determined using the transmittance T(λ) and reflectance R(λ) spectra and the refractive index dispersion was analyzed using single oscillator of Wemple–Didomenico model. The single oscillator energy E₀ and the dispersion energy E_d were calculated. The effect of temperature on refractive dispersion and optical band gap E_g is also discussed. As a result, the annealing temperatures have an important effect on refractive index of thin film.     

德拉沙星葡甲胺波谱学数据解析

本文采用元素分析、紫外吸收光谱、红外吸收光谱、质谱和核磁共振（NMR）波谱（包含¹H NMR、¹³C NMR、DEPT、¹H-¹H COSY、¹H-¹³C HSQC和¹H-¹³C HMBC）等方法对德拉沙星葡甲胺进行了结构分析,确证了德拉沙星葡甲胺的结构,分析了其IR谱图特征吸收峰对应的基团,对其¹H和¹³C NMR信号进行了完整归属.并通过差示扫描量热法、热重分析及粉末X-射线衍射分析对德拉沙星葡甲胺的晶型进行了初步研究.     

Favored α-decays of medium mass nuclei in density-dependent cluster model

We present a systematic calculation on α-decay half-lives of medium mass nuclei by the improved version of density-dependent cluster model, in which the nuclear potential between α-particle and daughter nucleus is obtained from the double-folding integral of the renormalized M3Y nucleon–nucleon interaction with the matter density distributions of α-particle and daughter nucleus, and the Coulomb potential is obtained from the double-folding integral of the proton–proton Coulomb interaction with the charge density distributions of α-particle and daughter nucleus. For the favored transitions from nuclear ground states, the theoretical partial half-lives of α-decay are in good agreement with experimental ones. On average, the density-dependent cluster model (DDCM) can reproduce the experimental α-decay half-lives of nuclei with Z=52–80 to within a factor of 3 or better. Therefore DDCM gives reliable and accurate results for favored α-decays in the medium mass region.     

Consistency of optimizing finite-time Carnot engines with the low-dissipation model in the two-level atomic heat engine

The efficiency at the maximum power (EMP) for finite-time Carnot engines established with the low-dissipation model, relies significantly on the assumption of the inverse proportion scaling of the irreversible entropy generation ΔS^(ir) on the operation time τ, i.e. ΔS^(ir) ∝ 1/τ. The optimal operation time of the finite-time isothermal process for EMP has to be within the valid regime of the inverse proportion scaling. Yet, such consistency was not tested due to the unknown coefficient of the 1/τ-scaling. In this paper, we reveal that the optimization of the finite-time two-level atomic Carnot engines with the low-dissipation model is consistent only in the regime of η_C < 2(1 − δ)/(1 + δ), where η_C is the Carnot efficiency, and δ is the compression ratio in energy level difference of the heat engine cycle. In the large-η_C regime, the operation time for EMP obtained with the low-dissipation model is not within the valid regime of the 1/τ-scaling, and the exact EMP of the engine is found to surpass the well-known bound η₊ = η_C/(2 − η_C).