含硫氨基酸与本征及缺陷石墨烯表面的相互作用

半胱氨酸及蛋氨酸是人体的两种含硫氨基酸,在生物活性中发挥着巨大的作用.本研究采用密度泛函理论方法对以上两种氨基酸在本征及缺陷石墨烯表面的吸附机理进行了详细研究.主要考虑了两种吸附体系:半胱氨酸及蛋氨酸平躺在两种石墨烯表面;两种氨基酸垂直地放置于两种石墨烯表面,且含硫的基团靠近表面.研究结果表明,半胱氨酸及蛋氨酸初始构型对它们之间的相互作用有一定的影响.两种氨基酸平躺时有较大的吸附能.此外,吸附能的结果显示两种氨基酸可以更好的与缺陷石墨烯表面紧密结合.同时,蛋氨酸与本征及缺陷石墨烯相互作用均大于半胱氨酸与本征及缺陷石墨烯相互作用.模拟结果有望为含硫氨基酸的石墨烯传感器提供有用的指导.     

Quasistationary distributions for one-dimensional diffusions with singular boundary points

In the present work we characterize the existence of quasistationary distributions for diffusions on $(0,\infty )$ allowing singular behavior at 0 and $\infty$. If absorption at 0 is certain, we show that there exists a quasistationary distribution as soon as the spectrum of the generator is strictly positive. This complements results of Cattiaux et al. (2009) and Kolb and Steinsaltz (2012) for 0 being a regular boundary point and extends results by Cattiaux et al. (2009) on singular diffusions.     

Separation technique based on electrophoresis,chromatography and magnetism phenomena: the migration time and peak broadening

1. Download : Download high-res image (108KB)
2. Download : Download full-size image

     

Pericyclic reactions in the synthesis of new 5-aryl-5,6-dihydroquinolino[2,1-b]quinazolin-12-ones

1. Download high-res image (52KB)
2. Download full-size image

     

Efficient and stereoselective synthesis of (S)-α-propargylglycine derivatives from allenylboronic acid

1. Download : Download high-res image (46KB)
2. Download : Download full-size image

     

Geometries and NMR properties of cisplatin and transplatin revisited at the four-component relativistic level

1. Download : Download high-res image (73KB)
2. Download : Download full-size image

     

New heterogeneous catalytic systems based on highly porous ceramic materials modified with immobilized d-metal cage complexes for H2 production from CH4

1. Download : Download high-res image (119KB)
2. Download : Download full-size image