On the inverse problem of minimum spanning tree with partition constraints

In this paper we first discuss the properties of minimum spanning tree and minimum spanning tree with partition constraints. We then concentrate on the inverse problem of minimum spanning tree with partition constraints in which we need to adjust the weights of the edges in a network as less as possible so that a given spanning tree becomes the minimum one among all spanning trees that satisfy the partition restriction. Based on the calculation of maximum cost flow in networks, we propose a strongly polynomial algorithm for solving the problem.The author gratefully acknowledges the partial support of Croucher Foundation.     

Conformational stability from variable temperature FT-IR spectra of krypton solutions, r0 structural parameters, vibrational assignment, and ab initio calculations of 4-fluoro-1-butene

Variable temperature (-115 to -155 degrees C) studies of the infrared spectra (3200-400 cm-1) of 4-fluoro-1-butene, CH2=CHCH2CH2F, dissolved in liquid krypton have been carried out. The infrared spectra of the gas and solid as well as the Raman spectra of the gas, liquid, and solid have also been recorded from 3200 to 100 cm-1. From these data, an enthalpy difference of 72 +/- 5 cm-1 (0.86 +/- 0.06 kJ x mol-1) has been determined between the most stable skew-gauche II conformer (the first designation refers to the position of the CH2F group relative to the double bond, and the second designation refers to the relative positions of the fluorine atom to the C-C(=C) bond) and the second most stable skew-trans form. The third most stable conformer is the skew-gauche I with an enthalpy difference of 100 +/- 7 cm-1 (1.20 +/- 0.08 kJ x mol-1) to the most stable form. Larger enthalpy values of 251 +/- 12 cm-1 (3.00 +/- 0.14 kJ x mol-1) and 268 +/- 17 cm-1 (3.21 +/- 0.20 kJ x mol-1) were obtained for the cis-trans and cis-gauche conformers, respectively. From these data and the relative statistical weights of one for the cis-trans conformer and two for all other forms, the following conformer percentages are calculated at 298 K: 36.4 +/- 0.9% skew-gauche II, 25.7 +/- 0.1% skew-trans, 22.5 +/- 0.2% skew-gauche I, 10.0 +/- 0.6% cis-gauche, and 5.4 +/- 0.2% cis-trans. The potential surface describing the conformational interchange has been analyzed and the corresponding two-dimensional Fourier coefficients were obtained. Nearly complete vibrational assignments for the three most stable conformers are proposed and some fundamentals for the cis-trans and the cis-gauche conformers have been identified. The structural parameters, dipole moments, conformational stability, vibrational frequencies, infrared, and Raman intensities have been predicted from ab initio calculations and compared to the experimental values when applicable. The adjusted r0 structural parameters have been determined by combining the ab initio predicted parameters with previously reported rotational constants from the microwave data. These experimental and theoretical results are compared to the corresponding quantities of some similar molecules.     

Water‐Enhanced Synthesis of Higher Alcohols from CO2 Hydrogenation over a Pt/Co3O4 Catalyst under Milder Conditions

The effect of water on CO₂ hydrogenation to produce higher alcohols (C₂–C₄) was studied. Pt/Co₃O₄, which had not been used previously for this reaction, was applied as the heterogeneous catalyst. It was found that water and the catalyst had an excellent synergistic effect for promoting the reaction. High selectivity of C₂–C₄ alcohols could be achieved at 140 °C (especially with DMI (1,3‐dimethyl‐2‐imidazolidinone) as co‐solvent), which is a much lower temperature than reported previously. The catalyst could be reused at least five times without reducing the activity and selectivity. D₂O and ¹³CH₃OH labeling experiments indicated that water involved in the reaction and promoted the reaction kinetically, and ethanol was formed via CH₃OH as an intermediate.     

氮硫共掺杂碳量子点对胃液pH值的精确检测

以水杨酸和硫脲为原料, 通过水热法一步合成水溶性好、 稳定性强、 量子产率高(36.23%)、 呈蓝光的氮硫共掺杂碳量子点(N,S-CQDs). 在302 nm波长激发下, N,S-CQDs在发射波长409 nm处的荧光强度与pH值(在2.01~5.11范围内)线性关系良好, 相关系数为0.9931, 可原位、 实时检测胃液内pH值在Δ0.01范围内的变化. 可用于胃癌早期诊断和新生儿健康防护. 400 μg/mL N,S-CQDs孵育铜绿微囊藻细胞48 h, 存活率82.8%, 其可作为人体胃细胞荧光探针, 经人体排泄进入水环境, 对淡水浮游生物毒性低, 环境友好.     

The role of Sb in the molecular beam epitaxy growth of 1.30–1.55 μm wavelength GaInNAs/GaAs quantum well with high indium content

Sb-assisted GaInNAs/GaAs quantum wells (QWs) with high (42.5%) indium content were investigated systematically. Transmission electron microscopy, reflection high-energy electron diffraction and photoluminescence (PL) measurements reveal that Sb acts as a surfactant to suppress three-dimensional growth. The improvement in the 1.55 μm range is much more apparent than that in the 1.3 μm range, which can be attributed to the difference in N composition. The PL intensity and the full-width at half maximum of the 1.55 μm single-QW were comparable with that of the 1.3 μm QWs.     

SBA-15负载硅钨酸催化环己酮Baeyer-Villiger氧化

采用浸渍法制备了H4O40SiW12/SBA-15催化剂,通过红外光谱、X射线衍射、N2吸附-脱附和透射电镜等方法对催化剂进行了表征.结果表明,H4O40SiW12能均匀分散于SBA-15的孔道中,催化剂仍保持载体的介孔结构和硅钨酸的Keggin型结构.将催化剂用于环己酮的Baeyer-Villiger氧化反应中,考察...     

The reactions of pyridinyl thioesters with triiron dodecacarbonyl: their novel diiron carbonyl complexes and mechanistic investigations

Reaction of Fe(3)(CO)(12) with pyridinyl thioester ligand PyCH(2)SCOCH(3) (L(1), Py = pyridin-2-yl) produced complex, [Fe(2)(κ-COCH(3))(μ-SCH(2)Py)(CO)(5)] (1) (PyCH(2)S = pyridin-2-ylmethanethiolate). When complex 1 reacted with PPh(3), a monosubstituted complex, [Fe(2)(κ-COCH(3))(μ-SCH(2)Py)(CO)(4)PPh(3)] (2), was derived. Reaction of the same precursor with analogous thioester ligand PyCH(2)SCOPy (L(2)) generated three novel diiron complexes, [Fe(2)(κ-Py)(μ-SCH(2)Py)(CO)(5)] (3), [Fe(2)(κ-Py)'(μ-SCH(2)Py)(CO)(5)] (4), and [Fe(2)(κ-Py)(μ-SCH(2)Py)(CO)(6)] (5). Complexes 3 and 4 are structural isomers. Complex 5 could be converted into complex 4 but the conversion from complex 5 to the isomer 3 was not observed. All the five complexes were fully characterised using FTIR, NMR, and other techniques. Their structures were determined using X-ray single crystal diffraction analysis. The oxidative formation of complexes 1, 3, 4, and 5 involved C-S and/or C-C bonds cleavages. To probe possible mechanisms for these cleavages, DFT calculations were performed. From the calculations, viable reaction pathways leading to the formation of all the isolated products were delineated. The results of the theoretic calculations also allowed rationalisation of the experimental observations.     

Effect of Inorganic Fillers on Morphology and Mechanical Properties of PA66/POE-g-MAH/Filler Composites

Composites of polyamide 66 (PA66)/maleic anhydride grafted poly(ethylene-co-octene) (POE-g-MAH)/nano-calcium carbonate (nano-CaCO₃) and PA66/POE-g-MAH/talc were prepared by a one-step blending method. Morphology, crystallization, and mechanical properties of the composite materials were characterized with respect to different amounts of both inorganic fillers, nano-CaCO₃ and talc. Results showed that the tensile yield strength and tensile modulus of the composites were increased remarkably with introduction of nano-CaCO₃ or talc, but the notched impact strength was significantly lowered for both kinds of composites. Mechanical properties exhibited little difference between the PA66/POE-g-MAH/nano-CaCO₃ and PA66/POE-g-MAH/talc composites both for the different shapes and sizes of nano-CaCO₃ and the flake-like talc. Results of scanning electron microscopy exhibited agglomeration of the fillers. Differential scanning colorimetry analysis suggested that introduction of the inorganic fillers cause the crystallinity of PA66 to decrease by heterogeneous nucleation. The study provides a basic investigation on polymer/elastomer/rigid filler composites.     

基于OEM模型与XML的异构土地利用数据库集成方法

随着国土资源管理部门电子化、信息化建设的快速发展,先前建设的多个土地利用数据库,遇上了数据统一管理和共享互通的难题．通过分析这些数据库中的数据组织和存储方式及其特点,提出了一种基于OEM模型和XML的土地利用异构数据库集成的方法,此法可以将各个土地利用系统的异构数据库资源进行整合,并结合实例说明了方法的实用性．     

一种海陆交错带气象等值线间隔自动设置方法

常规的海洋气象要素绘制方法会造成等值线在海洋和陆地上分布不均匀,降低海洋区域可获取的信息量.据此,提出一种海陆交错带气象等值线间隔自动设置方法.首先将原始要素与海陆分界数据进行叠加分析,提取出海洋区域,然后进行斑点去噪计算,得到海洋区域数值范围,再结合映射表选择合适的间隔值,最后合并海洋和陆地区域,获得不等间距间隔.实验结果表明,该方法可以实现海洋气象等值线不等间距间隔的自动设置,有效突出海洋区域要素的变化,适用于海洋气象专题图制作等领域.