Influence of substituent groups at the 3‐position on the mass spectral fragmentation pathways of cephalosporins

The structural fragment ions of nine cephalosporins were studied by electrospray ionization quadrapole trap mass spectrometry (Q‐Trap MSⁿ) in positive mode. The influence of substituent groups in the 3‐position on fragmentation pathway B, an α‐cleavage between the C7? C8 single bond, coupled with a [2,4]‐trans‐Diels‐Alder cleavage simultaneously within the six‐membered heterocyclic ring, was also investigated. It was found that when the substituent groups were methyl, chloride, vinyl, or propenyl, fragmentations belonging to pathway B were detected; however, when the substituents were heteroatoms such as O, N, or S, pathway B fragmentation was not detected. This suggested that the [M–R₃]⁺ ion, which was produced by the bond cleavage within the substituent group at the 3‐position, had a key influence on fragmentation pathway B. This could be attributed to the strong electronegativity of the heteroatoms (O, N, S) that favors the production of the [M–R₃]⁺ ion. Moreover, having the positive charge of the [M–R₃]⁺ ion localized on the nitrogen atom in the 1‐position changed the electron density distribution of the heterocyclic structure, which prohibits a [2,4]‐reverse‐Diels‐Alder fragmentation and as a result fragmentation pathway B could not occur. The influence of the substituent group in the 3‐position was determined by the intensity ratio (e/d) of ions produced by fragmentation pathway A, a [2,2]‐trans‐Diels‐Alder cleavage within the quaternary lactam ring, including the breaking of the amide bond and the C6? C7 single bond (ion d), and fragmentation pathway B (ion e). The results indicate that the electronegativity of the substituent group was a key influencing factor of pathway B fragmentation intensity, because the intensity ratio (e/d) is higher for a chlorine atom, a vinyl, or a propenyl group than that of a methyl group. This study provided some theoretical basis for the identification of cephalosporin antibiotics and structural analysis of related substances in drugs. Copyright © 2010 John Wiley & Sons, Ltd.     

Reel-to-reel fabrication of meter-long YBCO coated conductor

YBa₂Cu₃O_7?δ (YBCO) superconductors were coated on the CeO₂/YSZ/Y₂O₃ buffered Ni-5at%W tapes by a reel-to-reel pulsed laser deposition (PLD). The process of a multi-layer deposition of YBCO film was explored. X-ray diffraction texture measurements showed good both in-plane and out of plane crystalline orientations in YBCO films. The average values calculated at a full width at half maximum (FWHM) of the peaks from phi-scans (φ) and omega (ω) scans for one meter-long YBCO tape were 7.49° and 4.71°, respectively. The critical current (I_c) was over 200 A/cm-width at 77 K and under self-field for meter-long YBCO tape. The critical transition temperature of the YBCO tape was typically as 90.1 K with 0.5 K transition widths.     

一种软X射线多层膜界面粗糙度的计算方法

提出一个利用多层膜小角X射线衍射谱衍射峰积分强度计算多层膜界面粗糙度的公式。用磁控溅射技术制备Mo／Si多层膜，用波长为0．154nm的硬X射线测量样品在小掠入射角区的衍射曲线，分别用本文公式和反射率曲线拟合方法计算了样品的界面粗糙度。实验结果表明：由本文公式获得的界面粗糙度近似于拟合方法获得的界面粗糙度，它们略等于多层膜界面实际粗糙度。     

Scattering of gaussian beam by a ferrite cylinder

The scattering of a Gaussian beam by a ferrite cylinder is analyzed using two methods. The spatial pictures in the amplitude of the total Gaussian beam near the cylinder resulting from the two methods are both clarified and compared. The scattering by a ferrite cylinder coating a dielectric sleeve is also presented.     

Model for processive movement of myosin V and myosin VI

Myosin V and myosin VI are two classes of two-headed molecular motors of the myosin superfamily that move processively along helical actin filaments in opposite directions. Here we present a hand-over-hand model for their processive movements. In the model, the moving direction of a dimeric molecular motor is automatically determined by the relative orientation between its two heads at free state and its head‘s binding orientation on track filament.This determines that myosin V moves toward the barbed end and myosin VI moves toward the pointed end of actin.During the moving period in one step, one head remains bound to actin for myosin V whereas two heads are detached for myosin VI: the moving manner is determined by the length of neck domain. This naturally explains the similar dynamic behaviours but opposite moving directions of myosin VI and mutant myosin V (the neck of which is truncated to only one-sixth of the native length). Because of different moving manners, myosin VI and mutant myosin V exhibit significantly broader step-size distribution than native myosin V. However, all the three motors give the same mean step size of -36nm (the pseudo-repeat of actin helix). All these theoretical results are in agreement with previous experimental ones.     

同步辐射讲座第一讲 同步辐射XAFS实验站及其应用

介绍了北京和合肥同步辐射XAFS实验站的性能参数和结构, 及在物理，化学，材料和生命科学等研究领域的应用，便于国内广大用户更好地利用其开展高质量的研究工作。     

Patterned nucleation control in vacuum deposition of organic molecules

We report a generally applicable method to pattern organic molecules on mesoscopic scales. In our method, organic molecular beam deposition was conducted on substrate surfaces prepatterned with materials to which the organic molecules have larger binding energies in comparison to the substrate. Fully uniform nucleation control at these predefined locations can be achieved by an appropriate selection of the growth parameters including temperature and deposition rate. The physical mechanisms involved are studied by Monte Carlo simulations and stand in good agreement with the experimental findings.     

Study on measurement of linear electro-optic coefficient of a minute irregular octahedron cBN wafer

The cubic boron nitride (cBN) is a kind of artificial electro-optic (EO) crystal, and we have not found any relative reports so far. Because the artificial synthetic cBN wafers are very small and hard, the wafers cannot be cut into rectangular slabs. The polarizer-sample-λ/4 retardation plate (compensator)-analyzer (PSCA) transverse EO modulator has to be adjusted to the minute irregular octahedron of cBN wafers. When the applied voltage is along [1 1 1] direction of the wafer, due to refraction, the angle between the incident beam direction and the (1 1 1) plane (top or bottom plane) of the wafer should be 25.4°, and the angle between the polarization direction of the polarizer and the plane of incidence should be 50.8° by calculation, respectively. The half-wave voltage of the cBN sample was obtained for the first time, by means of detection of the output optic signals from the modulator with and without an applied electric field on the sample, respectively. Furthermore, the linear EO coefficient was obtained, . The analysis of the experimental resulting error was carried out.     

耦合时空混沌的模糊混沌神经网络鲁棒自适应控制

将模糊逻辑系统和混沌神经网络结合起来,利用模糊逻辑系统的逼近能力和混沌神经网络的时空混沌行为,对模型未知的耦合时空混沌系统提出了一种模糊混沌神经网络自适应控制方案;同时考虑系统扰动、未建模动态特性和建模误差的影响,设计自适应补偿器,增强时空混沌系统控制的鲁棒性;并用Laypunov方法证明了该方案的稳定性;仿真验证了方案的有效性和鲁棒性。