Highly Efficient Trityl-Nitroxide Biradicals for Biomolecular High-Field Dynamic Nuclear Polarization

Dynamic nuclear polarization (DNP) is a powerful method to enhance the sensitivity of solid-state magnetic nuclear resonance (ssNMR) spectroscopy. However, its biomolecular applications at high magnetic fields (preferably>14 T) have so far been limited by the intrinsically low efficiency of polarizing agents and sample preparation aspects. Herein, we report a new class of trityl-nitroxide biradicals, dubbed SNAPols that combine high DNP efficiency with greatly enhanced hydrophilicity. SNAPol-1, the best compound in the series, shows DNP enhancement factors at 18.8 T of more than 100 in small molecules and globular proteins and also exhibits strong DNP enhancements in membrane proteins and cellular preparations. By integrating optimal sensitivity and high resolution, we expect widespread applications of this new polarizing agent in high-field DNP/ssNMR spectroscopy, especially for complex biomolecules.     

Spectrophotometric Study of Catechol Oxidation by Aerial O2 in Alkaline Aqueous Solutions Containing Mg(II) Ions.

Electronic absorption spectroscopy was employed to study the aerial oxidation of catechol (1,2-benzenediol) in alkaline aqueous solution containing an excess of Mg(II) ions. Graphical analysis by the matrix method of UV spectra recorded at regular time intervals gave a good fit for two absorbing species in solution. Based on this result and our earlier ESR spectroscopic investigations we concluded that two main absorbing species in this system are Mg(II)-spin stabilized o-benzosemiquinone anion radical and C-C dimer formed by the nucleophilic attack of catecholate anion on o-benzoquinone. Although the formation of 1,2,4-benzenetriol during the catechol oxidation has been detected in some ESR studies its presence was not indicated by this analysis probably because of the low and/or stable steady state concentration throughout the experiment.     

Polymorphism of Amino Acid‐Based Dendrons: From Organogels to Microcrystals

There is a delicate balance for a low‐weight molecule to behave as a gelator or crystal. The synthesis of two novel amino acid‐based naphthalene‐dendrons, Nap ‐ G1 and Nap ‐ G2 is described. Both dendrons display polymorphic properties in organic solvents. Nap ‐ G1 developed a fibrous network with β‐sheet architecture in cyclohexane but exhibited a spherulitic network in mixed solvents (chloroform/petroleum ether 1:5, v/v). On the other hand, Nap ‐ G2 acted as an efficient organogelator in chloroform but formed crystalline fibers in relatively high polarity solvents (such as acetone and methanol). Combinations of characterizations have been employed to study the polymorphism.     

Simulation of plasma doping process by using the localized molecular dynamics method

Plasma doping is the candidate for semiconductor doping. Accurate simulation of the doping technology is needed for the advanced integrated circuit manufacturing. In this paper, the plasma doping process simulation is performed by using the localized molecular dynamics method. Models that involve the statistics of the implanted compositions, angles and energies are developed. The effect of the model on simulation results is studied. The simulation results about the doping concentration profile are supported by experimental data.     

遗传算法用于多组分拉曼光谱定量分析的研究

拉曼光谱是一种分子散射光谱,利用物质的特征拉曼光谱,可实现对其结构、成分、浓度等的检测.多组分物质拉曼光谱的定量分析是一个有待深入研究的课题.采用遗传算法程序对10组分的混合矿石样品的拟合拉曼光谱数据进行了分析,对同一条件下算法多次计算的结果和不同条件下算法的表现进行了讨论,分析了算法设计和基本参数的不同对算法收敛速度以及对计算结果的精确性和稳定性的影响,验证了遗传算法用于多组分样品拉曼光谱数据分析的可行性、有效性和精确性.     

A new-style phased array transducer for HIFU

Considering the complexity of common phased array, and relatively slow mechanical scanning of the single transducer, a new-style transducer that has a changeable focus and a simple control system is needed. The sector phased array transducer, which has many advantages including easy fabrication, movable focus, and a simple control system, can reach the desired requirements. This paper has demonstrated its feasibility by the computation of acoustic field in (y, z) plane. The 24-element phased array, of which the length of the focal region is about 10 mm, and the maximum lateral diameter is about 1.5 mm, can accomplish the adjustment of the focus position. The maximum lateral displacement is 1.5 mm, and the treatment area is about 9 multiples of the single transducer, and only six power amplifiers are needed.     

A Note on Isomorphic Groups and Nonhomeomorphic Spaces

Given a Tychonov space X we can construct another space Y with the same group of homeomorphisms such that X and Y are, in some sense, "almost arbitrarily different".     

衍射光学元件用于激光谐振腔模式选择的理论研究

本文介绍了一种用于激光谐振腔模式选择的新方法。采用衍射光学元件替代传统的球面反射镜,运用衍射的角谱理论,分析了这种衍射反射镜的模式选择作用。结果表明,适当选取反射镜的口径及谐振腔的腔长时,谐振腔对基模和TEM01模的衍射损耗之比为1:430。     

Local smoothing property and Strichartz inequality for Schrödinger equations with potentials superquadratic at infinity

We study smoothing properties for time-dependent Schrödinger equations , , with potentials which satisfy V(x)=O(|x|^m) at infinity, m?2. We show that the solution u(t,x) is 1/m times differentiable with respect to x at almost all , and explain that this is the result of the fact that the sojourn time of classical particles with energy λ in arbitrary compact set is less than CTλ^−1/m during [0,T] when λ is very large. We also show Strichartz's inequality with derivative loss for such potentials and give its application to nonlinear Schrödinger equations.     

On a Problem of Karpilovsky

Let G be a finite elementary group. Let ⁿ (G) denote the nth power of the augmentation ideal (G) of the integral group ring G. In this paper, we give an explicit basis of the quotient group Q_n(G) = ⁿ(G)/ⁿ⁺¹ (G) and compute the order of Qⁿ (G).2000 Mathematics Subject Classification: 16S34, 20C05