Generic mathematical programming formulation and solution for computer-aided molecular design

This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD). A given CAMD problem, based on target properties, is formulated as a mixed integer linear/non-linear program (MILP/MINLP). The mathematical programming model presented here, which is formulated as an MILP/MINLP problem, considers first-order and second-order molecular groups for molecular structure representation and property estimation. It is shown that various CAMD problems can be formulated and solved through this model.     

Role of Nd-Ni on structural,spectral and dielectric properties of strontium-barium based nano-sized X-type ferrites

The influence of neodymium and nickel substitution on structural and dielectric parameters was investigated in strontium-barium X-type hexagonal ferrites having composition SrBaCu_2?xNi_xNd_yFe_28?yO₄₆ (x = 0, 0.2, 0.4, 0.6, 0.8, 1 and y = 0, 0.02, 0.04, 0.06, 0.08, 0.1). Sol-gel method was employed for synthesizing these hexagonal ferrites. The XRD plots of all studied materials which were annealed at 1250 °C show single phase characteristics. Lattice parameter ‘c’ increased as a consequence of larger radius of rare earth ion (Nd³⁺) as compared to (Fe³⁺), while lattice parameter ‘a’ showed very small variation. The cell volume was obtained in the range 2508.32–2523.75 (ų). The inclusion of Nd-Ni also affected X-ray density, bulk density and porosity. The FTIR spectroscopy indicated the particular absorption peaks of hexagonal ferrites and it was performed in the range of 500–700 cm^?1. On account of Nd-Ni doping, the dielectric constant, dielectric loss and AC-conductivity showed decreasing trend. The occupancy of Nd³⁺ ions at octahedral site impedes the valence alternation of Fe³⁺; therefore there was decrease in dielectric permittivity. Ac conductivity has been decreased from 9.14 to 6.49 (Ω cm)^?1 at frequency of 2.7 GHz. The Cole-Cole plots of synthesized materials noticeably revealed grain boundary contribution. The appearance of single semi-circle in impedance Cole-Cole graphs confirms the exceptional role of grain boundaries in the conduction process. The considerably lower dielectric parameters of investigated nano X-type ferrites propose their feasibility for high-frequency applications (phase shifters, dielectric resonators, stealth technology etc).     

南京老虎山黄土-古土壤剖面不同粒级组分的磁化率及其古气候意义

利用沉降离心法将老虎山黄土-古土壤的酸不溶相分离成<2μm、2～45μm和>45μm三个粒级组分,并分别测定了这些组分和全岩的磁化率。结果表明,无论是全岩,还是三个不同粒级组分,它们的磁化率都可以单独作为长江中下游地区古气候演变的参考指标。其中,<2μm粒级的质量磁化率明显大于全岩和2～45μm、>45μm两粒级,而且其分辨率也明显高于2～45μm和>45μm这两个粒级组分。本实验结果还显示,虽然<2μum的质量磁化率最大,但对全岩质量磁化率的贡献率与2～45μm粒级相当,>45μm粒级的贡献率较低。     

The Flynn Effect and U.S. Policies: The Impact of Rising IQ Scores on American Society Via Mental Retardation Diagnoses.

Over the last century, IQ scores have been steadily rising, a phenomenon dubbed the Flynn effect. Because of the Flynn effect, IQ tests are periodically renormed, making them harder. Given that eligibility for mental retardation (MR) services relies heavily on IQ scores, renormed tests could have a significant impact on MR placements. In longitudinal IQ records from 9 sites around the country, students in the borderline and mild MR range lost an average of 5.6 points when retested on a renormed test and were more likely to be classified MR compared with peers retested on the same test. The magnitude of the effect is large and affects national policies on education, social security, the death penalty, and the military. This paper reports the perceptions of professionals as they relate to IQ score fluctuations in normal, borderline, and/or MR populations. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

用基团贡献法预测纯物质蒸气压

对应状态原理与基团贡献法结合，提出一个新的蒸气压估算方程（ＲＬＹＭ）。通过对烷烃、烯烃、炔烃、环烷烃、环烯烃、醇、环醇、酮、醚、芳烃、酚、萘在内的１７４种有机物质蒸气压实验数据的关联，获得了３０种基团的贡献参数值。新模型的预测精度优于现有的对应状态法，并且对高碳分子仍有较好的估算精度。总的关联误差小于１．１７％。     

Distinguished Scientific Awards for an Early Career Contribution to Psychology.

The Early Career Awards recognize the large number of excellent young psychologists. Recipients of this award may not have held a PhD for more than nine years. The areas considered in 1991 were animal learning and behavior, developmental, and personality. The winners for 1991 were Kent C. Berridge, Susan A. Gelman, and Randy J. Larsen. For each winner a citation, biography, and selected bibliography of their works are presented. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Determination of gust action stress cycle counts for fatigue checking of line-like steel structures

The classical spectral analysis of structural response to a gusty wind is applied to the prediction of fatigue damage as expressed by the rate of accumulation of Miner's quotient, using the rainflow algorithm to establish stress-range cycle counts. A general solution in chart form is given for the effect of the broad-band (quasi-static) part of the response spectrum, together with an algebraic formulation for its combination with the effect of narrow-band (quasi-resonant) response.A procedure for integration of the long-term expectation of Miner's quotient is indicated. It is concluded that quasi-static response alone is unlikely to pose a serious fatigue problem. With generally anticipated levels of dynamic response, fatigue damage is greatly increased, but can be controlled at acceptable levels by care to avoid features especially sensitive to fatigue.     

2，6-萘二甲酸二甲酯在有机溶剂中溶解度的测定与关联

Solubility of dimethyl-2,6-naphthalene dicarboxylate in acetic acid, N,N-dimethylfonnamide, N,N-dimethyl acetamide, dimethyl sulphoxide, and N-methyl-2-ketopyrrolidine were determined using a dynamic method. The measured systems were correlated by UNIFAC group contribution method. A new main group （aromatic ester, ACCOO） was defined to express the activity coefficients of the aromatic ester. New interaction parameters of the ACCOO group were expressed as the first-order function of temperature and were determined from the experimental data. The calculated results for the new interaction parameters were satisfactory. The measured systems were also correlated with the Wilson and 2-h models, and the results were compared with those of the UNIFAC model.     

技术进步经济效益评价——中国长城铝业公司水泥厂产出增长中技术进步作用的评价

本文通过运用“生产函数法”、“增长速度方程”来定量分析技术进步在长城铝业公司水泥厂产出增长中的作用,从中找出该水泥厂生产经营过程中存在的问题及未来发展方向。     

IT资源整合、共享与质量标准化管理的研究

针对IT资源的特殊性，以校园为例，论证了提高IT资源利用率的重要意义，以及在资源规划中考虑资源贬值、需求锁定、冗余的必要，同时，阐述配置管理规范化与技术平台一致性对提高校园IT资源利用率和降低管理风险的价值和现实意义。