Local electronic and electrical properties of functionalized graphene nano flakes

Based on experimental findings models of amorphous graphene related carbon materials were generated using graphene nano flakes. On the optimized structures detailed local electronic properties were investigated using density functional theory. The electrical conductivities of all these models were also estimated using an in-house program based on tight-binding method. The calculated electrical conductivity values of all the models agreed well with the trend of calculated energy gap and graphitic character.     

复合函数极限的应用

利用复合函数极限的运算法则给出收敛数列与其子列的关系、海涅定理以及数列重排的另一种证明,把三个重要的定理归结为复合函数极限的应用,将大学数学里三个重要但理解起来相对困难的定理纳入统一简单的框架.     

大自然为什么选择磷主导生命

磷酸单酯和双酯被漫长的进化过程选择为生命体的核心.磷酸酯功能的多样性需要磷酰基转移酶不断地进化来实现.现今磷酰基转移酶的催化机制已经得到了广泛研究.通过高分辨X射线晶体衍射技术(X-ray)与19FNMR的联用,来研究磷酰基转移酶的金属氟化物过渡态类似物,可以从原子层面上阐述磷酰基转移的机理.该催化机理充分地解释了磷酸酯的一对相互"矛盾"的性质,即磷酸酯结构的极其稳定性与磷酰基在信号传导过程中的灵活可调性.通过对元素周期表中其他元素的含氧酸根及其酯的性质的研究,目前还无法找出一个更加合适的元素来替代磷的这些重要功能,因而这些证据都支持了Todd的说法:"哪里有生命,哪里就一定有磷".     

Asymmetric Direct Aldol Reaction of Cyclohexanone Catalyzed by( N'-Benzyl-N'-D-prolyl)-trans-4-hydroxy-L-proline Hydrazide

A new proline catalyst, namely (N′‐benzyl‐N′‐D‐prolyl)‐trans‐4‐hydroxy‐L‐proline hydrazide, has been prepared and proved to be a superior catalyst for the asymmetric aldol reaction of cyclohexanone and aromatic aldehydes, affording up to 98:2 dr and 98% ee.     

Michael Addition Catalyzed by Chiral Secondary Amine Phosphoramide Using Fluorinated Silyl Enol Ethers: Formation of Quaternary Carbon Stereocenters

A chiral secondary amine phosphoramide was developed and identified as a powerful catalyst for the Mukaiyama–Michael addition of fluorinated enol silyl ethers to tetrasubstituted olefins. The resulting products are obtained with high enantioselectivities and contain a quaternary carbon stereocenter bearing either a difluoroalkyl or monofluoroalkyl group.