复振型导数计算的移位多次模态加速法

本文研究了含粘性阻尼结构的复振型导数计算问题，将导数计算问题看成是一个简谐激振的响应计算问题，采用多次模态加速法和移位法，导出了复振型导数计算的移位多次模态加速法。该方法具有明确的数学和物理意义，可导出已有的各种计算方法。算例表明本方法计算复振型导数只需用很少几个模态即可保证精度，计算量大大减少。     

硼酸钾做润滑油添加剂的抗磨性能之研究

作者利用Shell-Seta四球试验机研究了白油中所含硼酸钾的抗磨特性,以及分散刘中性烷基苯磺酸钙对硼酸钾抗磨性能的影响,并且利用X-射线光电子能谱仪(XPS)和俄歇电子能谱仪(AES)考察了摩擦表面的元素组成及硼元素的价态。结果表明,含硼酸钾的白油能够在摩擦表面形成含硼酸钾的表面膜而具有较好的抗磨性,硼在摩擦表面膜中以硼酸钾的形式存在,分散剂烷基苯磺酸钙会影响硼酸钾沉积腆的形成及其与金属表面的结合强度而降低抗磨性能。     

条形平板中裂纹识别的遗传算法

研究条形平板中平行于上下边界的单一裂纹的识别问题。给出了当一声波入射这一条形平板时，裂纹参数与反射、透射系数之间的关系式，并应用遗传算法对裂纹进行了定量识别。计算结果表明本文给出的方法具有较好的识别精度。     

A STUDY ON SHIP VIBRATION USING FINITE ELEMENT METHOD

when the beam theory was used to calculate ship hull vibration,greater discrepancies were found between theoretical cal-culations and actual measurements especially at higher modes.Thusthe beam model cannot be considered as a practical one for higher-mode calculations.This paper presents the application of two-dimensional finite element model for the calculation of ship ver-tical vibration.Using the multi-element structural dynamic a-nalysis program DDJ(DL)developed by ourselves,the hull vibra-tion analysis of two ships(vessel A and vessel B)was carriedout on the Model-709 Computer made in the People’s Republic ofChina.The results of the calculation,when compared with actualmeasurements.show that the two-dimensional model is much moreefficient than the traditional beam model.The agreement be-tween the calculations and measurements has been improved greatly,and this discrepancy at the4th·and5th-modes has decreased towithin5%as compared to that of more than20%in the traditionalmodel.Furthermore.the mode     

Light‐Driven Reversible Alignment Switching of Liquid Crystals Enabled by Azo Thiol Grafted Gold Nanoparticles

Stimuli‐directed alignment control of liquid crystals (LCs) with desired molecular orientation is currently in the limelight for the development of smart functional materials and devices. Here, photoresponsive azo thiol (AzoSH) was grafted onto gold nanoparticles (GNPs). The resulting hybrid GNPs were able to homogeneously mix with a commercially available nematic LC host, as evidenced by Cryo‐TEM. Interestingly, the LC nanocomposites were found to undergo reversible alignment transition upon light irradiation as a consequence of the trans–cis photoisomerization of the azo groups on the GNP surface. LC molecules in either planar or bare glass cells were able to change their alignment to vertical upon UV irradiation, while the vertically aligned LC molecules returned to the planar or random orientation under visible irradiation. Neither the azo thiol molecules nor the unfunctionalized GNPs alone promoted the alignment of the LC molecules in the system upon light irradiation. The photoinduced vertical alignment without applied electric or magnetic field was very stable over time and with respect to temperature. Furthermore, an optically switchable device based on the photostimulated reversible alignment control of LCs was demonstrated.     

Reversing the Stereoselectivity of a Palladium‐Catalyzed O‐Glycosylation through an Inner‐Sphere or Outer‐Sphere Pathway

An efficient and concise method for the construction of various O‐glycosidic bonds by a palladium‐catalyzed reaction with a 3‐O‐picoloyl glucal has been developed. The stereochemistry of the anomeric center derives from either an inner‐sphere or outer‐sphere pathway. Harder nucleophiles, such as aliphatic alcohols and sodium phenoxides give β‐products, and α products result from using softer nucleophiles, such as phenol.     

Solvent‐dependent structural dynamics of 2(1H)‐pyridinone in light absorbing S4(ππ*) state

The B‐band resonance Raman spectra of 2(1H)‐pyridinone (NHP) in water and acetonitrile were obtained, and their intensity patterns were found to be significantly different. To explore the underlying excited state tautomeric reaction mechanisms of NHP in water and acetonitrile, the vibrational analysis was carried out for NHP, 2(1D)‐pyridinone (NDP), NHP–(H₂O)_n (n = 1, 2) clusters, and NDP–(D₂O)_n (n = 1, 2) clusters on the basis of the FT‐Raman experiments, the B3LYP/6‐311++G(d,p) computations using PCM solvent model, and the normal mode analysis. Good agreements between experimental and theoretically predicted frequencies and intensities in different surrounding environments enabled reliable assignments of Raman bands in both the FT‐Raman and the resonance Raman spectra. The results indicated that most of the B‐band resonance Raman spectra in H₂O was assignable to the fundamental, overtones, and combination bands of about ten vibration modes of ring‐type NHP–(H₂O)₂ cluster, while most of the B‐band resonance Raman spectra in CH₃CN was assigned to the fundamental, overtones, and combination bands of about eight vibration modes of linear‐type NHP–CH₃CN. The solvent effect of the excited state enol‐keto tautomeric reaction mechanisms was explored on the basis of the significant difference in the short‐time structural dynamics of NHP in H₂O and CH₃CN. The inter‐molecular and intra‐molecular ESPT reaction mechanisms were proposed respectively to explain the Franck–Condon region structural dynamics of NHP in H₂O and CH₃CN.Copyright © 2015 John Wiley & Sons, Ltd.     

Fast quantification of endogenous carbohydrates in plasma using hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry

Endogenous carbohydrates in biosamples are frequently highlighted as the most differential metabolites in many metabolomics studies. A simple, fast, simultaneous quantitative method for 16 endogenous carbohydrates in plasma has been developed using hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry. In order to quantify 16 endogenous carbohydrates in plasma, various conditions, including columns, chromatographic conditions, mass spectrometry conditions, and plasma preparation methods, were investigated. Different conditions in this quantified analysis were performed and optimized. The reproducibility, precision, recovery, matrix effect, and stability of the method were verified. The results indicated that a methanol/acetonitrile (50:50, v/v) mixture could effectively and reproducibly precipitate rat plasma proteins. Cold organic solvents coupled with vortex for 1 min and incubated at –20°C for 20 min were the most optimal conditions for protein precipitation and extraction. The results, according to the linearity, recovery, precision, matrix effect, and stability, showed that the method was satisfactory in the quantification of endogenous carbohydrates in rat plasma. The quantified analysis of endogenous carbohydrates in rat plasma performed excellently in terms of sensitivity, high throughput, and simple sample preparation, which met the requirement of quantification in specific expanded metabolomic studies after the global metabolic profiling research.