Single Molecules: From Observation to Manipulation

这项建议涉及单分子的物理、化学和生物学三个方面，涵盖了从观察方法到操纵的范围。在这项建议中概述的理论和计算研究计划中，我们计划首先研究分子解离(破裂)过程的动力学，并用动态力谱实验来对抗我们的结果和预测。在破裂力研究中获得的见解将进一步转移到在界面上操纵分子的问题上。这里将详细研究“拾起并放下”方法，重点研究接近原子力显微镜(AFM)的针尖与表面分子之间的接触。这种通过近距离操纵的想法随后被一种远程控制想法所取代，在远程控制想法中，分子“引擎”由光来驱动和控制。这些光驱动的分子引擎可以随意引导，并执行相应的工作。提出的方案有望激发新的实验，以研究和控制单分子的动力学；此外，它还将改进和优化纳米尺度上的各种控制方案。

This proposal deals with three aspects related to the physics, chemistry and biology of single molecules, covering the range from observation methods to manipulation. In the theoretical and computational research program outlined in this proposal we plan to first investigate the dynamics of molecular unbinding (rupture) processes, confronting our results and predictions with dynamic force spectroscopy experiments. The insight gained in the rupture force studies will be transferred further to the problem of manipulating molecules at interfaces. Here the "pick-up-and-put-down" method will be investigated in detail, focusing on the contact between an approaching atomic force microscope (AFM)-tip and surface molecules. This manipulation by close proximity is then replaced by a remote control idea where molecular "engines" are fuelled and controlled by light. These light-driven molecular engines can be directed around at will and perform as well corresponding work. The proposed program is expected to stimulate new experiments in order to study and control the dynamics of single molecules; moreover, it will improve and optimize the various control schemas on the nanoscale.