单分子实验中功的测量
Measurement of work in single-molecule experiments
摘要：
单分子实验的一个主要目标是通过将涨落关系应用于沿着不可逆过程的重复功测量来评估平衡自由能差。我们量化的错误，是在自由能估计的Jarzynski等式的装置时，在整个系统（包括仪器）上花费的累积工作被错误地取代的工作转移到子系统组成的唯一的分子结构。我们发现，误差可能高达100%，这取决于实验的数量和数据采集设备的带宽。我们的理论估计通过数值模拟和使用光镊对DNA发夹的拉动实验得到了验证。
英文摘要：
A main goal of single-molecule experiments is to evaluate equilibrium free energy differences by applying fluctuation relations to repeated work measurements along irreversible processes. We quantify the error that is made in a free energy estimate by means of the Jarzynski equality when the accumulated work expended on the whole system (including the instrument) is erroneously replaced by the work transferred to the subsystem consisting of the sole molecular construct. We find that the error may be as large as 100%, depending on the number of experiments and on the bandwidth of the data acquisition apparatus. Our theoretical estimate is validated by numerical simulations and pulling experiments on DNA hairpins using optical tweezers.
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