注塑模流道优化设计

在注塑成型过程中，浇注系统的设计合理与否对产品质量和效益都有决定性的影响，给出了基于流动模拟的流道平衡算法。该算法在流道、型腔布置及浇口尺寸确定后自动调整流道尺寸直到满足熔体流动平衡约束，通过一个三型腔家族式模具验证了该算法。     

改进遗传人工神经网络在组合导航中的应用

鉴于常规卡尔曼滤波算法组合导航系统数据融合算法中,存在易于发散的缺陷,尝试将遗传优化人工神经网络引入组合导航系统中.针对传统遗传算法存在的易早熟、算法稳定性差、固定的交叉和变异概率影响收敛效果等缺点,采用浮点式编码方式,两两竞争的选择策略、引入突变操作、重新定义交叉算子和自适应的交叉变异算子等措施进行了遗传算法的改进.仿真结果表明,改进后的算法更为有效,并且精度与常规卡尔曼滤波算法相当.     

COMPUTATION OF SUPERSONIC TURBULENT FLOWFIELD WITH TRANSVERSE INJECTION

ＩｎｔｒｏｄｕｃｔｉｏｎＴｈｅｍｉｘｉｎｇｆｌｏｗｆｉｅｌｄｒｅｓｕｌｔｉｎｇｆｒｏｍａｓｏｎｉｃｇａｓｅｏｕｓｉｎｊｅｃｔｉｏｎｉｎｊｅｃｔｅｄｔｒａｎｓｖｅｒｓｅｌｙｉｎｔｏａｓｕｐｅｒｓｏｎｉｃｆｒｅｅｓｔｒｅａｍｉｓｅｎｃｏｕｎｔｅｒｅｄｉｎｍａｎｙｆｉｅｌｄｓｓｕｃｈａｓｒｏｃｋｅｔｍｏｔｏｒｔｈｒｕｓｔｖｅｃｔｏｒｃｏｎｔｒｏｌｓｙｓｔｅｍｓ,ｓｕｐｅｒｓｏｎｉｃｃｏｍｂｕｓｔｉｏｎ ,ｈｉｇｈ＿ｓｐｅｅｄｆｌｉｇｈｔｖｅｈｉｃｌｅｒｅａｃｔｉｏｎｃｏｎｔｒｏｌｊｅｔｓ,ａｎｄｇａｓ＿ｔ…     

翼型大攻角状态下表面吸气驻涡增升的数值模拟实验

用数值模拟方法给出了翼型大攻角状态表面吸气后绕翼型流动的某些新现象并对流场的特性进行了机理性研究,其中包括吸气对翼型背风面分离涡的驻涡增升作用;吸气孔位置对流场的影响;不同吸气强度以及间歇式吸气的增升效应。数值模拟的出发方程为N-S方程,差分格式为Beam-Warming格式。数值实验表明:(1)吸气可有效地提高翼型大攻角状态下的升力;(2)在一定吸气强度下吸气可使翼型背风面上涡的非定常脱落现象消失从而起到驻涡作用;(3)吸气孔位置在翼面的中部附近增升效果较好;(4)在一定范围内吸气强度越强其升力越高;(5)间歇式吸气也可提高平均升力,但引起升力的波动。     

Photophysics of a Ruthenium 4H‐Imidazole Panchromatic Dye in Interaction with Titanium Dioxide

The photophysics of bis(4,4′‐di‐tert‐butyl‐2,2′‐bipyridine‐κ²N,N′)[2‐(4‐carboxyphenyl)‐4,5‐bis(p‐tolylimino‐κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO₂ film. The studied substitution pattern of the 4H‐imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H‐imidazole ligand that has been previously investigated. Protonation at the 4H‐imidazole ring decreases the excited‐state lifetime in solution. When the unprotonated dye is anchored to TiO₂, photoinduced electron injection occurs from thermally nonrelaxed triplet metal‐to‐ligand charge transfer (³MLCT) states with a characteristic time constant of 0.5 ps and an injection efficiency of roughly 25 %. Electron injection from the subsequently populated thermalized ³MLCT state of the dye does not take place. The energy of this state seems to be lower than the conduction band edge of TiO₂.     

An Approach to NMR Assignment of Intrinsically Disordered Proteins

An efficient approach to NMR assignments in intrinsically disordered proteins is presented, making use of the good dispersion of cross peaks observed in [¹⁵N,¹³C′]‐ and [¹³C′,¹H^N]‐correlation spectra. The method involves the simultaneous collection of {3D (H)NCO(CAN)H and 3D (HACA)CON(CA)HA} spectra for backbone assignments via sequential H^N and H^α correlations and {3D (H)NCO(CACS)HS and 3D (HS)CS(CA)CO(N)H} spectra for side‐chain ¹H and ¹³C assignments, employing sequential ¹H data acquisitions with direct detection of both the amide and aliphatic protons. The efficacy of the approach for obtaining resonance assignments with complete backbone and side‐chain chemical shifts is demonstrated experimentally for the 61‐residue [¹³C,¹⁵N]‐labelled peptide of a voltage‐gated potassium channel protein of the Kv1.4 channel subunit. The general applicability of the approach for the characterisation of moderately sized globular proteins is also demonstrated.     

Direct chemical profiling of olive (Olea europaea) fruit epicuticular waxes by direct electrospray‐ultrahigh resolution mass spectrometry

In the present paper, an electrospray ionization (ESI)‐Orbitrap method is proposed for the direct chemical profiling of epicuticular wax (EW) from Olea europaea fruit. It constitutes a rapid and efficient tool suitable for a wide‐ranging screening of a large number of samples. In a few minutes, the method provides a comprehensive characterization of total EW extracts, based on the molecular formula of their components. Accurate mass measurements are obtained by ultrahigh resolution mass spectrometry, and compositional restrictions are set on the basis of the information available from previous studies of olive EW. By alternating positive and negative ESI modes within the same analysis, complementary results are obtained and a wide range of chemical species is covered. This provides a detailed compositional overview that otherwise would only be available by applying multiple analytical techniques. Copyright © 2015 John Wiley & Sons, Ltd.     

Simple in‐house flow‐injection capillary electrophoresis with capacitively coupled contactless conductivity method for the determination of colistin

An in‐house flow‐injection capillary electrophoresis with capacitively coupled contactless conductivity detection method was developed for the direct measurement of colistin in pharmaceutical samples. The flow injection and capillary electrophoresis systems are connected by an acrylic interface. Capillary electrophoresis separation is achieved within 2 min using a background electrolyte solution of 5 mM 2‐morpholinoethanesulfonic acid and 5 mM histidine (pH 6). The flow‐injection section allows for convenient filling of the capillary and sample introduction without the use of a pressure/vacuum manifold. Capacitively coupled contactless conductivity detection is employed since colistin has no chromophore but is cationic at pH 6. Calibration curve is linear from 20 to 150 mg/L, with a correlation coefficient (r²) of 0.997. The limit of quantitation is 20 mg/L. The developed method provides precision, simplicity, and short analysis time.     

Comparison of different injection modes in edible oil minor components analysis

Waxes and fatty acid alkyl esters are minor components used as official parameters to control the authenticity and quality of a high‐value olive oil product. A poor measurement can lead to a misleading classification of the oil. The official method requires their analysis together by capillary gas chromatography equipped with a flame ionization detector and an on‐column injector to avoid discrimination and thermal degradation. The degradation can occur to a different extent if different (and not properly optimized) injectors are used. However, other injection techniques, such as programmed‐temperature vaporizer, are much more versatile and more widespread. The aim of the present work was to compare the performance of a programmed‐temperature vaporizer injector, in on‐column and splitless mode, with the on‐column injector to analyze alkyl esters and waxes. Discrimination among high‐boiling compounds was evaluated, as well as the occurrence of thermal degradation, especially of sterols and diterpene alcohol (phytyl and geranylgeraniol) esters. A proper optimization of a programmed‐temperature vaporizer injection, with particular attention to the liner selection, was proven to provide comparable results to the traditional on‐column injection. A performance comparison was carried out both on standard mixtures and on real oil samples.     

Multivariate analysis of extremely large ToFSIMS imaging datasets by a rapid PCA method

Principal component analysis (PCA) and other multivariate analysis methods have been used increasingly to analyse and understand depth profiles in X‐ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and secondary ion mass spectrometry (SIMS). These methods have proved equally useful in fundamental studies as in applied work where speed of interpretation is very valuable. Until now these methods have been difficult to apply to very large datasets such as spectra associated with 2D images or 3D depth‐profiles. Existing algorithms for computing PCA matrices have been either too slow or demanded more memory than is available on desktop PCs. This often forces analysts to ‘bin’ spectra on much more coarse a grid than they would like, perhaps even to unity mass bins even though much higher resolution is available, or select only part of an image for PCA analysis, even though PCA of the full data would be preferred. We apply the new ‘random vectors’ method of singular value decomposition proposed by Halko and co‐authors to time‐of‐flight (ToF)SIMS data for the first time. This increases the speed of calculation by a factor of several hundred, making PCA of these datasets practical on desktop PCs for the first time. For large images or 3D depth profiles we have implemented a version of this algorithm which minimises memory needs, so that even datasets too large to store in memory can be processed into PCA results on an ordinary PC with a few gigabytes of memory in a few hours. We present results from ToFSIMS imaging of a citrate crystal and a basalt rock sample, the largest of which is 134GB in file size corresponding to 67 111 mass values at each of 512 × 512 pixels. This was processed into 100 PCA components in six hours on a conventional Windows desktop PC. © 2015 The Authors. Surface and Interface Analysis published by John Wiley & Sons Ltd.