电阻式核磁共振测量的最新进展

电阻式核磁共振(RDNMR)测量是1988年由德国马普所的von Klitzing研究小组针对GaAs二维电子气中少量核自旋的探测而提出的一种具有超高灵敏度的实验技术. 目前, RDNMR已经成为研究单层或双层GaAs二维电子气核自旋和电子自旋特性的重要手段. 由于为实现电阻式核磁共振测量所建立的动态核极化方法强烈依赖于GaAs特有的材料属性, 至今这一技术一直没有扩展应用到其他半导体低维系统中. 最近,本研究小组发展了一种动态核极化新方法,成功实现了对典型窄带半导体锑化铟(InSb) 二维电子气的电阻式核磁共振测量.本文在介绍电阻式核磁共振测量工作原理及已建立的典型动态核极化方法的基础上,着重讨论所提出的动态核极化新方法的机理、 实验结果以及对今后研究的展望.     

Fictitious domain methods for two‐phase flow energy balance computations in nuclear components

This paper is dedicated to the numerical simulation of nuclear components (cores and steam generators) by fictitious domain methods. The fictitious domain approach consists in immersing the physical domain under study in a Cartesian domain, called the fictitious domain, and in performing the numerical resolution on this fictitious domain. The calculation times are then efficiently reduced by the use of fast solvers. In counterpart, one has to handle with an immersed boundary, generally non‐aligned with the Cartesian mesh, which can be non‐trivial. The two fictitious domain methods compared here on industrial simulations and developed by Ramière et al. deal with an approximate immersed interface directly derived from the uniform Cartesian mesh. All the usual immersed boundary conditions (Dirichlet, Robin, Neumann), possibly mixed, are handled through a unique formulation of the fictitious problem. This kind of approximation leads to first‐order methods in space that exhibit a good ratio of the precision of the approximate solution over the CPU time, which is very important for industrial simulations. After a brief recall of the fictitious domain method with spread interface (Ramière et al., CMAME 2007) and the fictitious domain method with immersed jumps (Ramière et al., JCP 2008), we will focus on the numerical results provided by these methods applied to the energy balance equation in a steam generator. The advantages and drawbacks of each method will be pointed out. Generally speaking, the two methods confirm their very good efficiency in terms of precision, convergence, and calculation time in an industrial context. Copyright © 2011 John Wiley & Sons, Ltd.     

基于咔唑-靛红双-硫代碳酰腙衍生物的NMR研究

采用多种核磁共振（NMR）技术（包括¹H NMR、¹³C NMR、¹H-¹H COSY、¹H-¹³C HSQC、¹H-¹³C HMBC），对基于咔唑-靛红双-硫代碳酰腙新型衍生物2，即1-[（3Z）-2-氧代吲哚-3-亚基]-5-[（9-己基-3-咔唑基）亚基]硫代碳酰腙的¹H和¹³C NMR信号进行了全归属，确定了其结构．     

Study of indoor radon and thoron progeny levels in surrounding areas of Nalbari, Assam, India

With the growing understanding of the role of radon and its daughter products as major sources of radiation exposure, the importance of large number of estimation of radon concentration in various parts of the country is realized. Inhalation of radon, thoron and their decay products is the major source of the total radioactive dose received by the human population from natural radiation. The indoor radon and thoron progeny levels in Nalbari area of Assam are studied by using the LR-115 (type II) Solid State Nuclear Track Detector in Plastic Twin Chamber dosimeter. Radon and thoron progeny levels in different types of dwellings for one full calendar year are presented in this paper. For Assam Type (A.T.) houses, indoor radon progeny concentrations vary from 0.17 to 0.64 mWL with an annual geometric mean of 0.27 mWL and that for Reinforced Cement Concrete (R.C.C.) houses vary from 0.22 mWL to 0.60 mWL with the annual geometric mean of 0.37 mWL. The thoron progeny levels in A.T. houses also vary from 0.01 to of 0.05 mWL with an annual geometric mean of 0.02 mWL and that for R.C.C. houses vary from 0.02 to 0.08 mWL with the annual geometric mean of 0.04 mWL.      

Assessment of DFT functionals with fluorine–fluorine coupling constants†

Density functional theory (DFT) calculations of nuclear magnetic resonance (NMR) spin–spin coupling constants (SSCCs) provide an important contribution for understanding experimentally observed values. It is known that calculated SSCCs using DFT methods correlate well with those experimentally measured. Unlike most of SSCCs, in fluorine compounds, fluorine–fluorine SSCC J_FF shows that the Fermi contact (FC) term is not dominant, particularly for J_FF in polyfluorinated organic molecules. In order to devise a DFT approach that would correctly reproduce the variation of SSCCs within a series of fluorine compounds, we test several DFT-based approaches, using different exchange and correlation functionals. Isotropic contributions to NMR fluorine–fluorine coupling constants (FC, spin-dipolar, SD, paramagnetic spin-orbit, PSO, and diamagnetic spin-orbit, DSO) have been calculated. Results show that DFT methods give appropriate values for ⁿJ_FF (n = 4 to 7), while for geminal and vicinal J_FF present large deviations from experimental values. For the latter SSCCs (²J_FF and ³J_FF), the four contributions (FC, SD, PSO and DSO) are analysed as a function of the local and nonlocal exchange in 1,1- and 1,2-difluoroethylene. Although FC term is not dominant for these SSCCs, the variation of this contribution with exchange is remarkable. On the other hand, SD and PSO contributions can be suitably computed without and with exact exchange, respectively.     

Comparative analysis of CR-39 sensitivity for different sets of measurable track parameters

In the present paper the sensitivity V of plastic nuclear track detectors CR-39 to the space radiation, accelerated heavy ions in wide LET range and α-particles is studied. Different approaches for V evaluation are considered and compared. Main attention is given to the method that is appropriate for the measurement of short range heavy secondaries of space radiation. Finally, the experimental verification of the designed V function is carried out via simulation of the secondaries with low energy α-particles in the vicinity of the Bragg peak.     

Super strong nuclear force caused by migrating K? mesons - Revival of the Heitler-London-Heisenberg scheme in kaonic nuclear clusters

We have studied the structure of K⁻pp comprehensively by solving this threebody system in a variational method, starting from the Ansatz that the Λ(1405) resonance (≡Λ^*) is a K⁻p bound state. The structure of K⁻pp reveals a molecular feature, namely, the K⁻ in Λ^* as an “atomic center” plays a key role in producing strong covalent bonding with the other proton. We point out that strongly bound $\bar{K}$ nuclear systems are formed by “super strong” nuclear force due to migrating real bosonic particles $\bar{K}$ a la Heitler-London-Heisenberg, whereas the normal nuclear force is caused by mediating virtual mesons. We have shown that the elementary process, p + p → K⁺ + Λ^* + p, which occurs in a short impact parameter and with a large momentum transfer, leads to unusually large self-trapping of Λ^* by the involved proton, since the Λ^*-p system exists as a compact doorway state propagating to K⁻pp.     

Characteristic X-ray detector: In-situ imaging of radioactive contaminant distributions

The characteristic X-ray detector (CXRD), a CsI(Tl) scintillator with a 50-mm diameter, is a directional X-ray sensor that measures characteristic X-rays from radioactive material, such as ¹³⁷Cs, and identifies the direction of radioactive contamination. We evaluated a CXRD and visualized the distribution of radioactivity in the contaminated area near the Fukushima Dai-ichi nuclear power station, where the ambient dose equivalent rate was 2.1 μSv/h at 1 m above ground level. We found a good correlation between the characteristic X-ray fluxes and the distribution of radioactive contaminants with a 0.823 Pearson product–moment correlation coefficient.     

Glycoconjugated Metallohelices have Improved Nuclear Delivery and Suppress Tumour Growth In Vivo

Monosaccharides are added to the hydrophilic face of a self‐assembled asymmetric Fe^II metallohelix, using CuAAC chemistry. The sixteen resulting architectures are water‐stable and optically pure, and exhibit improved antiproliferative selectivity against colon cancer cells (HCT116 p53^+/+) with respect to the non‐cancerous ARPE‐19 cell line. While the most selective compound is a glucose‐appended enantiomer, its cellular entry is not mainly glucose transporter‐mediated. Glucose conjugation nevertheless increases nuclear delivery ca 2.5‐fold, and a non‐destructive interaction with DNA is indicated. Addition of the glucose units affects the binding orientation of the metallohelix to naked DNA, but does not substantially alter the overall affinity. In a mouse model, the glucose conjugated compound was far better tolerated, and tumour growth delays for the parent compound (2.6 d) were improved to 4.3 d; performance as good as cisplatin but with the advantage of no weight loss in the subjects.     

Dioxygen Reactivity of Copper(I)/Manganese(II)-Porphyrin Assemblies: Mechanistic Studies and Cooperative Activation of O2

The oxidation of transition metals such as manganese and copper by dioxygen (O₂) is of great interest to chemists and biochemists for fundamental and practical reasons. In this report, the O₂ reactivities of 1:1 and 1:2 mixtures of [(TPP)Mn^II] (1; TPP: Tetraphenylporphyrin) and [(tmpa)Cu^I(MeCN)]⁺ (2; TMPA: Tris(2-pyridylmethyl)amine) in 2-methyltetrahydrofuran (MeTHF) are described. Variable-temperature (−110 °C to room temperature) absorption spectroscopic measurements support that, at low temperature, oxygenation of the (TPP)Mn/Cu mixtures leads to rapid formation of a cupric superoxo intermediate, [(tmpa)Cu^II(O₂^•–)]⁺ (3), independent of the presence of the manganese porphyrin complex (1). Complex 3 subsequently reacts with 1 to form a heterobinuclear μ-peroxo species, [(tmpa)Cu^II–(O₂^2–)–Mn^III(TPP)]⁺ (4; λ_max = 443 nm), which thermally converts to a μ-oxo complex, [(tmpa)Cu^II–O–Mn^III(TPP)]⁺ (5; λ_max = 434 and 466 nm), confirmed by electrospray ionization mass spectrometry and nuclear magnetic resonance spectroscopy. In the 1:2 (TPP)Mn/Cu mixture, 4 is subsequently attacked by a second equivalent of 3, giving a bis-μ-peroxo species, i.e., [(tmpa)Cu^II−(O₂²⁻)−Mn^IV(TPP)−(O₂²⁻)−Cu^II(tmpa)]²⁺ (7; λ_max = 420 nm and δ_pyrrolic = −44.90 ppm). The final decomposition product of the (TPP)Mn/Cu/O₂ chemistry in MeTHF is [(TPP)Mn^III(MeTHF)₂]⁺ (6), whose X-ray structure is also presented and compared to literature analogs.