The combinatorial game Nofil played on Steiner triple systems

We introduce an impartial combinatorial game on Steiner triple systems called Next One to Fill Is the Loser (Nofil ). Players move alternately, choosing points of the triple system. If a player is forced to fill a block on their turn, they lose. By computing nim-values, we determine optimal strategies for Nofil on all Steiner triple systems up to order 15 and a sampling for orders 19, 21 and 25. The game Nofil can be thought of in terms of play on a corresponding hypergraph which will become a graph during play. At that point Nofil is equivalent to playing the game Node Kayles on the graph. We prove necessary conditions and sufficient conditions for a graph to reached playing Nofil. We conclude that the complexity of determining the outcome of the game Nofil on Steiner triple systems is PSPACE-complete for randomized reductions.     

nSi／pSi1—xGex／nSi晶体管直流特性数值分析

采用一维有限差分方法,对生长在Ｓｉ（００１）衬底上的Ｓｉ１－ｘＧｅｘ应变基区异质结双极晶体管（ＨＢＴ）的直流特性进行了数值分析,给出了高斯掺杂情形下,基区中不同Ｇｅ分布的Ｓｉ１－ｘＧｅｘＨＢＴ的共射极电流放大系数图、Ｇｕｍ－ｍｅｌ图和平衡能带图;与Ｓｉ双极同质结晶体管（ＢＪＴ）的直流特性作了对比,结果表明基区中Ｇｅ的引入有效地改善了晶体管的直流性能;其次对基区中Ｇｅ分布与ｐ型杂质在基区－集电区交界处的不一致进行了模拟,证实了基区杂质向集电区扩散产生的寄生势垒使集电极电流密度下降这一实验结果．     

构建网络学习资源提高民族高校有机化学课程教学质量

High-quality online course materials were reconstructed through feedback from undergraduate students and online data analysis regarding constructed learning materials on the Chao Xing Learning Platform. They were used for studying organic chemistry courses online and offline in university for nationalities. This model, based on student-centered teaching, can effectively transform students from passively accepting knowledge to actively learning and internalizing knowledge. This strategy can also enhance the students' learning initiative and the effects of learning, and hopefully be helpful to the universities in multi-ethnic areas in developing fundamental disciplined construction of organic chemistry and other courses.     

Prediction of Complexation Properties of Crown Ethers Using Computational Neural Networks

A computational neural network method was used for the prediction of stability constants of simple crown ether complexes. The essence of the method lies in the ability of a computer neural network to recognize the structure-property relationships in these host-guest systems. Testing of the computational method has demonstrated that stability constants of alkali metal cation (Na+, K+, Cs+)-crown ether complexes in methanol at 25 °C can be predicted with an average error of ±0.3 log K units based on the chemical structure of the crown ethers alone. The computer model was then used for the preliminary analysis of trends in the stabilities of the above complexes.     

Synthesis and Characterization of a New Layered Aluminophosphate [Al3P4O16][(CH3)2NHCH2CH2NH(CH3)2][H3O]

A new layered aluminophosphate, denoted AlPO-CJ12, has been synthesized in the system Al(OPrⁱ)₃-H₃PO₄-tetramethylethylenediamine-triethyleneglycol and its structure solved by single-crystal X-ray diffraction analysis. It is further characterized by X-ray powder diffraction, ICP, TG, DTA, and elemental analyses. The compound has an empirical formula of [Al₃P₄O₁₆][(CH₃)₂NHCH₂CH₂NH(CH₃)₂][H₃O], and crystallizes in the triclinic space group P-1 (No. 2) with a=8.9907(6) Å b=9.8359(6) Å, c=14.5566(8) Å, α=75.872(3)°, β=88.616(3)°, γ=63.404(3)°, Z=2, R₁=0.0451, and wR₂=0.1094. The alternation of tetrahedral AlO₄ and PO₃ (=O) units forms a sheet structure with a 4×6×8 network. The inorganic layers stacked in an AAAA sequence are held together by the protonated organic amine and water molecules. The co-templating role of the water molecules is studied by the calculation of the nonbonding host-guest interaction energies through a computational simulation.     

在线质谱仪在车内VOCs现场快速监测中的应用

挥发性有机物(VOCs)影响车内空气质量和驾乘者的身心健康。自主研发的在线挥发性有机物质谱仪(SPI-MS 2000),实现了有机物分子的单光子电离,产生无碎片的分子离子,可实现秒级响应,仪器的质量分辨率优于800 FWHM,质量精度优于0.02 amu,对甲苯的测定限优于3μg/m^3,且在3~8000μg/m^3范围内有良好的线性关系。将该仪器应用于某客车车内空气的在线检测:在5 s内检测到20多种微克~毫克每立方米量级的有机物。该仪器在车内VOCs现场快速监测方面有广泛的应用前景。     

Ionization energy reductions in small 2,5-dihydroxybenzoic acid-proline clusters

The photoionization of (pro)(n)DHB (pro = proline, DHB = 2,5-dihydroxybenzoic acid, n = 0, 1, 2 or 4) clusters was studied both experimentally and computationally. Experimentally the (pro)(n)DHB clusters are generated in the gas phase by laser desorption and supersonic jet entrainment. The photoionization thresholds are then determined by the mass-selective measurement of both one- and two-color photoionization efficiency curves. These experiments demonstrate that the ionization energies (IEs) of the (pro)(n)DHB clusters are substantially reduced in comparison with the IE of free DHB. Computational studies of the (pro)(n)DHB clusters provide insights into the mechanism of IE reduction. For the (pro)DHB system the IE reduction results from spin delocalization in the ion state of the cluster. In contrast, for the (pro)(2)DHB and (pro)(4)DHB clusters the IE reduction results from an inductive delocalization of electron density from pro to DHB in the ground state of the cluster. This latter effect, which is a result of the specific hydrogen-bonding interactions occurring in the mixed clusters, leads to IE reductions of >1 eV. Finally, determination of the energetics of the (pro)(2)DHB radical cation demonstrate that the DHB-to-proline proton transfer reaction is a barrierless, exoergic process in the ion state and that energetic demands for cluster dissociation to protonated (pro)(2) plus a deprotonated DHB radical are substantially lower than those for cluster dissociation to (pro)(2) plus DHB(+*). Cumulatively, these studies provide new energetic and mechanistic insights into both primary and secondary MALDI ionization processes.     

稀土萃取分离过程自动控制研究现状及发展趋势

在简要描述稀土萃取分离生产过程的基础上,综述了目前国内外稀土萃取分离过程中稀土元素成分在线检测的方法、装置及其应用现状;稀土串级萃取分离生产过程的计算机流程模拟以及稀土萃取生产过程的自动控制方法、技术及其应用现状.指出了稀土元素组分含量的软测量方法,以综合生产指标为目标的稀土萃取分离生产过程优化控制方法以及由生产过程管理系统和过程控制系统两层结构组成的稀土萃取分离生产过程综合自动化系统已成为稀土萃取分离生产过程自动化未来发展的方向.     

数字喷墨印刷关键技术及其实现

经过20多年的完善与发展，喷墨技术已经成为大幅面广告印刷行业的主要印刷技术。随着图书按需印刷需求的快速扩张以及国家环保政策的迅速落地，喷墨印刷技术作为一项高效环保的数字化印刷技术，得到越来越高的关注，业内普遍认为喷墨印刷技术将是数字化印刷的必然发展趋势。然而与已经成熟的多Pass喷墨印刷设备不同，单Pass喷墨印刷设备在数据带宽、数据在线重构、高精度同步控制、喷嘴在线补偿等方面有着极高的技术要求。本文首先简要介绍了喷墨技术，然后针对单Pass喷墨印刷设备需要解决的技术问题提出了相应的解决方案。依据本文技术设计的单Pass书刊喷墨印刷机已经投放市场，并且获得了用户的普遍认可。     

痕量砷流动注射在线还原氢化物发生原子吸收测定

方法采用流动注射停流技术使水及土壤浸出液中Ａｓ（Ｖ）在线还原为Ａｓ（Ⅲ），不经手工还原，用氢化物发生原子吸收光谱法直接测定砷的含量。含４ｍｏｌ／Ｌ ＨＣｌ的样品溶液与３０％碘化钾溶液在编结式反应器中混合，并在采样环中停流４０ｓ，达完全还原后注入到载流中与硼氢化钠反应，采样速度５５次／ｈ，检出限（３δ）０．１μｇ／Ｌ，对自来水和土壤浸出液的加标回收结果满意。