(BN)_n富勒烯和单层BN纳米管的图形理论方法研究

应用图形理论方法对 ( BN) 1 2 等富勒烯和单层 BN纳米管的能级分布及其稳定性进行研究 ,发现 ( BN) n比同构型的 ( C2 ) n稳定 ,且与用 DFT方法计算的结果一致 .计算结果表明 ,采用图形理论方法是一种很有意义的解释和预测 BN纳米材料的结构和性质的定性研究方

Distribution pattern of PAHs in Jiulong River Estuary by both measurement and simulation

于2011年12月(冬季)在厦门九龙江河口及西港采集9个表层海水水样,采用固相萃取—气质联用方法(SPE-GC-MS)分析其中16种多环芳烃含量。研究结果表明,总溶解态态∑PAH含量为157.9~858.0 ng/L。在河口区,随着盐度升高,PAHs含量逐渐降低。基于比值法分析,表明厦门九龙江及西港海域海水中的PAHs来源存在多种途径,呈现混合来源的态势。利用LEVEL III逸度模型研究菲,芘和苯并(a)芘在各介质间的分布以及水——气界面的交换通量。模拟结果与本文实测和文献中的实测值相吻合。在16℃时,三种多环芳烃的大气沉降通量分别为17.38,7.86和8.38μg/day/m2。其中菲在大气沉降中占主导地位,约三分之二。三种多环芳烃的大气沉降通量均随温度升高而减少。当温度高于32℃时,苯并(a)芘开始从水体释放。The concentration of 16 polycyclic aromatic hydrocarbons( PAHs) of nine water samples,collected in the Jiulong River Estuary in December,2011,were analyzed using the SPE-GC-MS method. The results showed that the concentration range of total dissolved PAHs( ΣPAHs) was from 157. 9 to 858. 0 ng / L. The horizontal distribution illustrated that the concentration of ΣPAHs decreased as salinity increased. Based on ratio analysis,PAHs have complicated sources. A Level III fugacity model was developed to simulate the multimedia fate of PAHs and to study the air-water exchange fluxes of three PAHs( phenanthrene,pyrene,benzo[a]pyrene) in the Jiulong River Estuary. The calculated concentration of PAHs was similar to that measured in this study or reported in earlier literature. At 16℃,the net atmosphere deposition fluxes of these PAHs were 17. 38,7. 86 and 8. 38 μg / day / m2. Phenanthrene was predominant in the atmospheric deposition. The net atmospheric deposition fluxes of these PAHs all decreased with tem-perature. When the temperature was above 32. 0℃,benzo[a]pyrene was released from the water into the air.国家自然科学基金(40776044);; 福建省自然科学基金(2012J05078);; 福建省杰出青年科学基金(2014J06014);; 中央高校基本科研专项(20720140507

冬凌草甲素作用PI3K/AKT通路诱导HeLa细胞凋亡

【目的】研究冬凌草甲素诱导HeLa细胞凋亡的作用及其机制。【方法】MTT法测定冬凌草甲素对HeLa细胞的生长抑制实验,Hoechst 33342荧光染色等观察细胞核形态学变化;LDH法研究细胞死亡的途径。流式细胞仪检测细胞的凋亡,免疫印迹实验检测相关蛋白的表达。【结果】25μmol/L以上的冬凌草甲素对宫颈癌HeLa细胞具有明显的生长抑制作用,并能诱导细胞发生凋亡,随着药物浓度的增加和作用时间的延长,细胞的生长抑制率及细胞凋亡率均明显升高,冬凌草甲素抑制细胞生长及诱导细胞发生凋亡的过程中,细胞端粒酶Akt、FKHRL、GSK3表达水平及活性显著降低。【结论】冬凌草甲素能够通过诱导人子宫颈癌HeLa细胞发生凋亡而发挥抑制HeLa细胞生长作用,抑制Akt和GSK3的活性是冬凌草甲素体外诱导人子宫颈癌HeLa细胞发生凋亡的重要作用机制之一

Stabilities of Boron Nitride Fullerenes and Nanotubes

虽然B-N键和C-C键具有等电子结构的相似性，但氮化硼纳米材料与碳纳米材料在性质上有着巨大的差异。近年来，对氮化硼(BN)n团簇和硼氮纳米管(BNNT)的研究引起了人们的极大兴趣。但是在研究的过程中，对BN的结构，稳定性等方面仍存在着一些基本问题。 本文通过图形理论方法与密度泛函方法(DensityFunctionalTheory，简称DFT)，对氮化硼(BN)n团簇和硼氮纳米管(BNNT)的结构，稳定性等基本性质进行了理论探讨，主要包括了四个内容： 1.(BN)12和(BN)16等团簇的研究 采用图形理论方法。首先利用图形理论方法的约化规则，来约化同构型的碳(C2n)团簇，得到简化的休...B-N and C-C bonds are isoelectronic, but boron nitride nano-materials are different to carbon nano-materials. In recent years, boron nitride fullerenes (BN)n and boron nitride nanotubes (BNNT) have been extensively studied. But it is found that some questions about the structures and stabilities of them are still unsolved. In the present work, certain basal characters of (BN)n and BNNT, f...学位：理学硕士院系专业：化学化工学院化学系_物理化学(含化学物理)学号：20012503

DPSIR Model-based Assessment of ecologically sustainable development in Shandong Peninsula Blue Economic Zone

山东半岛作为我国最大的半岛,其地理位置决定了海洋生态可持续发展对其的重要性。本文使用DPSIR(驱动力-压力-状态-影响-响应)模型,结合社会经; 济和自然生态两个方面搭建指标体系评估其蓝色经济区生态可持续发展能力。结果表明:山东半岛承受的社会经济压力正不断增大。海洋生态系统综合状态评价值为; 0.53,其中海水、沉积物质量及生物综合评价值分别为0.22、0.19及0.123,生态环境现状不容乐观。影响和响应评价值分别为2.5和4.3,; 海洋灾害的影响范围较大,危害程度较深,但海洋管理部门在面对生态环境变化时的反应较为迅速、有效。Shandong Peninsula is the largest peninsulas in China and its; geographical position plays a vital role in its ecological health. In; this paper, we used the Driving-Pressure-State-Impact-Response (DPSIR); model, combined with social economic and natural ecological parameters,; to establish an ecologically sustainable development evaluation index; system. The results show there to be increasing social and economic; pressures on the Shandong Peninsula, and the comprehensive state; evaluation value for its ecological system is 0.5313. The water,; sediment and biological quality values are 0.22, 0.19, and 0.123,; respectively. Current conditions are not encouraging. The impact; indicator and response indicator values are 2.5 and 4.7, respectively,; which indicates that marine disasters have great influence on the; Peninsula and can cause serious damage, although the government's; response to changes in the ecological environment is typically quick and; efficient.山东省优秀中青年科学家科研奖励基金计划项

Ti/Al过渡层对共掺杂类金刚石薄膜性能的影响

目的研究Ti/Al过渡层对不同溅射电流下的Ti/Al共掺杂DLC薄膜的成分、结构、机械性能和结合力的影响。方法采用线性离子束复合磁控溅射技术在316L基底上沉积含有Ti/Al过渡层的Ti/Al共掺杂DLC薄膜,利用场发射扫描电子显微镜(SEM)、X射线光电子能谱仪(XPS)、高分辨透射电镜(HRTEM)及共聚焦激光拉曼光谱仪分析了薄膜的界面形貌及键态结构。采用辉光放电光谱仪对样品成分进行深度分析,纳米压痕仪测量薄膜硬度及弹性模量,划痕测试系统测量膜基结合力,残余应力仪测量薄膜内应力。结果与未添加过渡层相比,添加Ti/Al过渡层对薄膜的结构和机械性能影响较小,且均在溅射电流为2.5 A时有最优的机械性能;然而,溅射电流为2.5 A时,添加过渡层使结合力从54.5 N提高到了67.2 N,提高了19%,残余应力从1.28 GPa降低到了0.25 GPa,降低了80%。结论 Ti/Al过渡层可缓解因DLC薄膜和基体的晶格匹配差异和膨胀系数不同而导致的高界面应力。在薄膜与基底界面,过渡层呈现典型柱状晶结构,可促进膜基界面间的机械互锁,显著改善薄膜与基体之间的结合力而不损伤其机械性能