Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia.
Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia.
J Photochem Photobiol B. 2017 Nov;176:150-156. doi: 10.1016/j.jphotobiol.2017.10.005. Epub 2017 Oct 5.
A novel (salicylaldiminato)Pt(II) complex with two different molecular structures, one solventless ((salicylaldiminato)Pt(II)) 1 and another one solvated ((salicylaldiminato)Pt(II). CHOH), 1·CHOH, has been obtained by the reaction of a salen ligand with [PtCl(DMSO)] in ethanol at room temperature. The asymmetric unit of solventless 1 contains 9 such complex molecules whereas 1·CHOH contains 2 complex molecules and one ethanol molecule. To get insights into the structure and bonding, DFT and TDFT calculation have been carried out. The electronic transition band at 408.0nm (calc. 424.3nm) is assigned to HOMO→LUMO (96%) excitation. The calculated NMR chemical shifts are interrelated with the experimental results, and a very slight effect of solvent was noticed on NMR chemical shifts. A MTT assay and the real-time cell monitoring xCELLigence system revealed that the 1 has significant potential to suppress cell viability and cell proliferation in human HT-29 and SW620 colorectal cancer cell lines.
一种具有两种不同分子结构的新型(水杨醛亚胺)Pt(II)配合物,一种无溶剂的((水杨醛亚胺)Pt(II)) 1 和另一种溶剂化的((水杨醛亚胺)Pt(II). CHOH), 1·CHOH,通过在室温下将水杨醛配体与[PtCl(DMSO)]在乙醇中反应得到。无溶剂 1 的不对称单元包含 9 个这样的配合物分子,而 1·CHOH 包含 2 个配合物分子和 1 个乙醇分子。为了深入了解结构和键合,进行了 DFT 和 TDFT 计算。408.0nm(计算值为 424.3nm)处的电子跃迁带被分配为 HOMO→LUMO(96%)激发。计算的 NMR 化学位移与实验结果相关,并且在 NMR 化学位移上注意到溶剂的微小影响。MTT 测定和实时细胞监测 xCELLigence 系统显示,1 对人 HT-29 和 SW620 结直肠癌细胞系的细胞活力和细胞增殖具有显著的抑制潜力。