PROLONGED EXPOSURE TO DIOXANE & ACETONITRILE OF SPIN-LABEL SUBTILISIN CARSBERG

这个子项目是许多研究子项目中的一个 由NIH/NCRR资助的中心赠款提供的资源。子项目及 研究者（PI）可能从另一个NIH来源获得了主要资金， 因此可以在其他CRISP条目中表示。所列机构为 研究中心，而研究中心不一定是研究者所在的机构。 在活性位点自旋标记的枯草杆菌蛋白酶Carsberg样品在Gabriel Barletta教授的实验室制备，并被送到ACERT进行高场EPR研究。这个想法是为了精确地确定g张量的参数，以便以后在Barletta教授的小组中使用它来模拟X波段的分子动力学。将样品转移到谐振器中，并用氮气或氦气冷却。对于二氧六环，实验在190 K下进行，并且由于在该温度下没有真实的刚性极限，因此也在80 K下进行以保证刚性极限。使用的调制为5G。在实验之后，对一些光谱进行分相，以去除少量的色散混合物。对于一些光谱，观察到小的通过效应，但该效应不改变线的位置。通过与PDTempone的已知g因子进行比较来确定g因子。扫描宽度由Mn的水溶液的线之间的分离的知识确定。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The sample of subtilisin Carsberg spin labeled at an active site was prepared in the laboratory of Professor Gabriel Barletta and was sent to ACERT to be investigated by high-field EPR. The idea was to determine accurately the parameters of the g-tensor to use it later at Professor Barletta group for simulations of molecular dynamic at X-band. The sample was transferred into the resonator and it was cooled with either nitrogen or helium. The experiments were done at 190 K for dioxane, and, since there is not a real rigid limit at this temperature, also at 80 K to guarantee the rigid limit. Modulation used was 5 G. After the experiments some of the spectra were phased to get rid of a small admixture of dispersion. For some of the spectra a small passage effect was observed, but this effect does not change the position of the lines. The g-factor was determined by comparison with the known g-factor of PDTempone. The sweep width was determined from the knowledge of the separation between the lines for water solution of Mn.