Guide for Authors

<正>The journal of"Progress in Natural Science:Materials International(PROG NAT SCI-MATER)"sponsored and organized by both Chinese Materials Research Society(C-MRS)and Inter national Union of Materials Research Societies(IUMRS)started to publish     

趋化因子受体CXCR4非肽类抑制剂药效团的设计

趋化因子受体CXCR4是HIV进入宿主细胞的辅助受体之一.为了研究其抗HIV抑制剂的构效关系,6个结构多样性和拥有高活性的抑制剂被作为训练集来构建药效团模型,然后对由活性抑制剂和非活性抑制剂构成的测试集进行筛选,通过应用受试者工作特征(receiver operator characteristic,ROC)曲线和计算富集因子(enrichment factor,EF)的方法评估每个模型的预测能力与合理性.最终得到一个具有较高的ROC曲线下面积(area under curve,AUC)与富集因子的药效团模型,可用于指导新颖CXCR4抑制剂的设计及相关抗艾滋病药物的研发.     

COD测定废液中Ag2S04的回收循环利用研究

目的研究COD测定废液中Ag2SO4的回收和利用，实现资源的循环利用，提高利用效率，节约实验成本，减少环境污染。方法以COD测定废液为研究对象，将Ag2SO4通过NaCl转化为AgCl沉淀，再用Zn粒在酸性介质中进行还原，使AgCl转化为银粉；所得银粉在少量HN03存在的条件下，用浓H2S04氧化，将其转化为Ag2SO4，重新用于COD测定实验。结果通过一系列实验研究表明，有70％的银可以得到回收，所得Ag2SO4再次用于COD测定实验，标准样品的COD测定误差在许可范围之内；实际污水中COD的测定实验结果表明，Ag2SO4循环使用的测定误差平均为7．4％。结论实验证明回收的Ag2SO4可以作为COD测定实验的催化剂循环使用，可操作性良好，在节约实验成本的基础上，对于环境保护、减少污染物排放量方面有显著效果。但是COD测定结果的偏差较大，重现性有待进一步改进提高。     

Development of liquid-nitrogen-cooling friction stir spot welding for AZ31 magnesium alloy joints

A liquid-nitrogen-cooling friction stir spot welding (C-FSSW) technology was developed for welding AZ31 magnesium alloy sheets. The liquid-nitrogen cooling degraded the deformability of the welded materials such that the width of interfacial cracks increased with increasing cooling time. The grain size of the stirred zone (SZ) and the heat-affected zone (HAZ) of the C-FSSW-welded joints decreased, whereas that of the thermomechanically affected zone (TMAZ) increased with increasing cooling time. The maximum tensile shear load of the C-FSSW-welded joints welded with a cooling time of 5 or 7 s was larger than that of the friction stir spot welding (FSSW)-welded joint, and the tensile shear load decreased with increasing cooling time. The microhardness of the C-FSSW-welded joints was greater than that of the FSSW-welded joint. Moreover, the microhardness of the SZ and the HAZ of the C-FSSW-welded joints increased, whereas that of the TMAZ decreased, with increasing cooling time.     

石油焦煅烧程度对铝用炭阳极显微结构及电解消耗的影响

以不同煅烧程度石油焦为骨料，煤沥青为黏结剂制备铝用低煅焦炭阳极.通过激光共聚焦扫描显微镜和图像分析方法对炭阳极孔隙结构进行分析表征，并考察阳极反应性和电解消耗性能.在煅后焦微晶尺寸1.7~2.7 nm范围内降低石油焦煅烧程度，炭阳极小孔隙逐渐沿骨料-黏结剂界面演变为裂纹状大孔隙，炭阳极孔隙率、形状因子及连通率均先减小后增大，视孔隙比表面积呈减小趋势.煅后焦微晶尺寸降低至1.9 nm较为适宜，对应的炭阳极空气和CO2反应质量损失率最少为9.6%和3.0%，每吨铝阳极碳耗为355.4 kg.低煅焦炭阳极过量消耗机制从以黏结剂选择性消耗转变为骨料与黏结剂共同消耗，使碳渣量减少.     

2,2-二{4-二[2,3(3,4)-二氰基苯氧基]苯基}丙烷的合成、表征与性质研究

以二甲基亚砜为溶剂、氢氧化锂为催化剂,在室温下,将双酚A分别与3-硝基邻苯二腈、4-硝基邻苯二腈反应合成了两种2,2-二{4-二[2,3(3,4)-二氰基苯氧基]苯基}丙烷化合物,产物经~1HNMR,IR,HPLC-MS进行了表征确证,讨论了反应时间及催化剂用量对产率的影响,并对两种产物的紫外-可见光谱及荧光光谱进行研究.     

准晶：奇特而又平凡的晶体—— 2011年诺贝尔化学奖简介

准晶是具有长程准周期性平移序和非晶体学旋转对称的固态有序相。它的出现导致了晶体学与凝聚态物质结构理论的一次革命，极大推动了相关学科的完善和发展。其发现者Daniel Shechtman因此获得2011年度诺贝尔化学奖。本文简介了准晶的发现、结构特征和发展现状，同时介绍了中国科学家在这一领域的独特贡献。     

论煤矿用通风机铝合金叶片的渗透探伤

通过对煤矿在用通风机铝合金叶片的渗透检测,可以发现通风机运行状态下难以发现的缺陷,避免了由于叶片缺陷导致的通风机故障对煤矿产生不良影响。在保证煤矿安全生产方面起到了积极的作用。     

Examination of dynamic recrystallization during compression of AZ31 magnesium

This study aimed to investigate dynamic recrystallization(DRX)behavior during compression of magnesium alloy AZ31. Cylinder samples were cut from the extruded rod and hot rolled sheet AZ31 for compression test.The samples were compressed using a Gleeble 1500D at a temperature of 300℃and a strain rate of 0.01 s-1.Grain orientations and misorientation angles across grain boundaries for the tested samples were obtained by using electron backscatter diffraction(EBSD)technique.The results showed that strong basal texture was observed after 50%compression(ε=0.69)on both the extruded and hot rolled samples,which have different initial textures.It was observed that with increased strain,DRX grains gradually rotated to basal orientation,and grain boundaries with misorientation angle of near 30°was formed in the samples.At the strain of 0.69,a high fraction of high-angle(60°)boundaries was present in the extruded sample,whereas almost no high angle boundaries were observed in the hot rolled sheet sample.     

雾化沉积Cu-13．5％Sn合金的显微组织和力学性能研究

本文采用雾化沉积工艺制备了Cu-13．5wt％Sn合金；研究其轧制性能；分析其轧制机理。结果表明：与传统铸造Cu—Sn合金相比，该合金晶粒细小，组织均匀，无宏观偏析，基体为单相α—Cu组织；Sn含量从8wt．％上升到13．5wt．％；轧制后表现出良好的综合力学性能，强度和塑性随着形变量的不同在一个较宽的范围内变化，可以满足不同使用需求；具有高强度（〉800MPa）低弹性模量（～88GPa）的特点。这在晶体金属材料领域是独一无二的，可以预测该合金将会在弹性元件领域具有广泛的应用前景。