Isothermal Titration Calorimeter

我们申请了一台带自动化装置的ITC机器，用于测量(生物)大分子的质子化效应。通过ITC实验，确定了质子化的宏观总体变化。这些结果将与PKA计算相结合。因此，ITC数据可以改进PKA计算方法的预测方法。同时，PKA计算能够选择具有建议质子化变化的新系统，用于通过所请求的ITC机器进行实验测定。通过湿实验室和干实验室之间的反馈循环，这两个学科都从中受益。多亏了自动化单元，许多最小维度和最小数量的测量成为可能，这将导致高质量和高数量的数据集。最终，这将有助于更好地理解质子化效应。

We apply for an ITC machine with an automation unit for the measurement for protonation effects of (biological) macromolecules. By means of ITC experiments a macroscopic overall change in protonation is determined. These results will be combined with pKa calculations. The ITC data can thereby improve the prediction methods of the pKa calculation approaches. In parallel, the pKa calculations enable the selection of new systems with proposed protonation changes for the experimental determination via the requested ITC machine. By means of this feedback cycle between wet lab and dry lab both disciplines benefit from each other. Thanks to the automation unit many measurements in minimum dimension and quantities become possible that will lead to a dataset of high quality and quantity. Eventually this will contribute to a better understanding of protonation effects.