Comprehensive Vibrational Spectroscopic Investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) Diazido Anticancer Prodrug Candidate.
Comprehensive Vibrational Spectroscopic Investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) Diazido Anticancer Prodrug Candidate.
复制标题
反式，反式，trans- [pt（n3）2（oh）2（py）2]的综合振动光谱研究，pt（iv）二氮杂抗癌前药候选者。
DOI：
10.1021/acs.inorgchem.6b00476
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发表时间：
2016-06-20
影响因子：
4.6
通讯作者：
Spiccia L
中科院分区：
文献类型：
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作者：
Vernooij RR;Joshi T;Shaili E;Kubeil M;Appadoo DR;Izgorodina EI;Graham B;Sadler PJ;Wood BR;Spiccia L
我们报道了一种有前途的光活化金属基抗癌前药候选物，trans,trans,trans-[Pt(N3)2(OH)2(py)2] （C1; py =吡啶），使用振动光谱技术进行了详细的研究。利用衰减全反射傅里叶变换红外光谱（ATR-FTIR）、拉曼光谱和同步辐射远红外光谱（SR-FIR）获得C1及其前驱体(trans-[Pt(N3)2(py)2] （C2）和trans-[PtCl2（py)2] (C3)）的高分辨配体和Pt-配体振动。通过密度泛函理论计算，确定了不同的红外和拉曼主动振动模式，并首次确定了频率漂移随Pt配位环境变化的趋势。这些数据提供了C1的配体和pt配体（叠氮化物、氢氧化物、吡啶）在中远红外区域的振动特征，为更好地理解C1与生物分子的相互作用提供了基础。详细研究了Pt（IV）二氮杂酮抗癌前药候选物，trans,trans,trans-[Pt(N3)2(OH)2(py)2]及其前体，包括使用同步辐射远红外，ATR-FTIR，拉曼和DFT计算。
We report a detailed study of a promising photoactivatable metal-based anticancer prodrug candidate, trans,trans,trans-[Pt(N3)2(OH)2(py)2] (C1; py = pyridine), using vibrational spectroscopic techniques. Attenuated total reflection Fourier transform infrared (ATR-FTIR), Raman, and synchrotron radiation far-IR (SR-FIR) spectroscopies were applied to obtain highly resolved ligand and Pt-ligand vibrations for C1 and its precursors (trans-[Pt(N3)2(py)2] (C2) and trans-[PtCl2(py)2] (C3)). Distinct IR- and Raman-active vibrational modes were assigned with the aid of density functional theory calculations, and trends in the frequency shifts as a function of changing Pt coordination environment were determined and detailed for the first time. The data provide the ligand and Pt-ligand (azide, hydroxide, pyridine) vibrational signatures for C1 in the mid- and far-IR region, which will provide a basis for the better understanding of the interaction of C1 with biomolecules. A detailed investigation of the Pt(IV) diazido anticancer prodrug candidate, trans,trans,trans-[Pt(N3)2(OH)2(py)2], and its precursors is presented, which includes the use of synchrotron radiation far-IR, ATR-FTIR, Raman, and DFT calculations.