脂肪酶-钯复合催化剂结构表征数据

X射线光电子能谱的检测分析在Thermal Scientific ESCALAB 250Xi仪器上进行，以结合能为284.5 eV的C 1s碳峰进行校准。基质辅助激光解吸电离飞行时间质谱（MALDI-TOF）的检测在仪器AXIMA-Performance MA上进行。采用马尔文激光粒度仪对样品粒径进行分析。复合催化剂的圆二色光谱、荧光光谱、红外光谱、X射线衍射在清华大学分析测试中心完成测试。以上表征数据均在清华大学采集。基于微液滴反应的纳升电喷雾质谱（nanoESI）数据的采集在复旦大学进行，蛋白样品在微液滴中被胰蛋白酶快速降解后，得到的多肽片段进入LTQ Orbitrap Velos质谱仪分析。Pd的K边X射线吸收光谱测试是在中国科学院上海应用物理研究所的上海光源同步辐射中心BL14W1线站中进行。同步辐射的电子存储环工作能量为3.5 GeV，采用Si(311)双晶体单色器对X射线能量进行分辨调节。

X-ray photoelectron spectroscopy (XPS) measurements were conducted on a Thermal Scientific ESCALAB 250Xi instrument, and calibrated using the C 1s carbon peak with a binding energy of 284.5 eV. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF) measurements were performed on an AXIMA-Performance MA mass spectrometer. Sample particle size was analyzed using a Malvern laser particle size analyzer. Circular dichroism (CD) spectroscopy, fluorescence spectroscopy, infrared (IR) spectroscopy, and X-ray diffraction (XRD) measurements of the composite catalyst were carried out at the Analysis and Testing Center of Tsinghua University. All the above characterization data were collected at Tsinghua University. Nanoelectrospray ionization mass spectrometry (nanoESI-MS) data based on microdroplet reactions were collected at Fudan University. After being rapidly digested by trypsin in microdroplets, protein samples yielded polypeptide fragments that were analyzed using an LTQ Orbitrap Velos mass spectrometer. Pd K-edge X-ray absorption spectroscopy (XAS) measurements were conducted at the BL14W1 beamline of the Shanghai Synchrotron Radiation Facility (SSRF), which is affiliated with the Shanghai Institute of Applied Physics, Chinese Academy of Sciences. The electron storage ring of the synchrotron radiation facility operated at an energy of 3.5 GeV, and a Si(311) double-crystal monochromator was used to resolve and tune the X-ray energy.