Synthesis, structural characterization, and Hirschfeld surface analysis of a novel Mn(II) complex based on N-acetyl-L-phenylalanine ligand and its evaluation as a cytotoxic agent

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2025-06-26 DOI:10.1016/j.poly.2025.117659

Li-Hua Wang , Xi-Shi Tai , Mohammad Azam , Bing-Lin Sui , An-Lin Wang

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Abstract

In this work, we describe a novel manganese complex, abbreviated as Mn(L1)₂L2(H₂O)₂]_n·2H₂O·2(4,4′-bipyridine) prepared by combining N-acetyl-L-phenylalanine (L1) and 4,4′-bipyridine (L2) ligands in a mixture of ethanol, water, and DMF (v:v:v = 2:2:1) as the solvent. The manganese(II) complex was thoroughly analyzed using infrared (IR) spectroscopy, ultraviolet-visible (UV–vis) spectroscopy, and single-crystal X-ray diffraction techniques. The crystallographic analysis revealed that the complex adopts an orthorhombic crystal system with P2₁2₁2 space group. In the molecular structure, the Mn(II) ion is surrounded by six donor atoms: two oxygen atoms (O1 and O1) from the carboxylate groups of two deprotonated N-acetyl-L-phenylalanine (L1) ligands, two oxygen atoms (O4 and O4) from two water molecules, and two nitrogen atoms (N1 and N5) from two 4,4′-bipyridine (L2) ligands, resulting in an octahedral geometry. The Mn(II) complex forms a one-dimensional (1D) chain structure through bridging interactions facilitated by 4,4′-bipyridine (L2) ligands. These 1D chains then extend into a three-dimensional (3D) network through O-H···O and O-H···N hydrogen bonds and π-π stacking interactions. The Hirschfeld surface study of the Mn(II) complex indicates that hydrogen‑hydrogen interactions constitute the predominant share (54.4 %) of the surface contacts. In addition, the cytotoxic effects of the Mn(II) coordination polymer were evaluated both in human breast cancer cells (MCF-7) and mouse cancer cells (4 T1) using the MTT assay.

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基于n -乙酰- l-苯丙氨酸配体的新型Mn（II）配合物的合成、结构表征和Hirschfeld表面分析及其作为细胞毒性剂的评价

在这项工作中，我们描述了一种新的锰配合物，缩写为Mn(L1)2L2(H2O)2]n·2H2O·2（4,4 ' -联吡啶），由n -乙酰基- l-苯丙氨酸（L1）和4,4 ' -联吡啶（L2）配体在乙醇，水和DMF （v:v:v = 2:2:1）的混合物中作为溶剂合成。利用红外光谱、紫外-可见光谱和单晶x射线衍射技术对锰（II）配合物进行了全面分析。晶体学分析表明，该配合物为具有P2₁2₁2空间群的正交晶系。在分子结构上，Mn（II）离子被六个供体原子包围：两个氧原子（O1和O1）来自两个去质子化n -乙酰- l-苯丙氨酸（L1）配体的羧酸基，两个氧原子（O4和O4）来自两个水分子，两个氮原子（N1和N5）来自两个4,4 ' -联吡啶（L2）配体，形成八面体几何结构。Mn（II）配合物通过4,4 ' -联吡啶（L2）配体的桥接作用形成一维（1D）链结构。然后，这些一维链通过O- h··O和O- h··N氢键和π-π堆叠相互作用扩展成三维（3D）网络。Hirschfeld对Mn（II）配合物的表面研究表明，氢-氢相互作用占表面接触的主要份额（54.4%）。此外，在人乳腺癌细胞（MCF-7）和小鼠癌细胞（4t1）中，使用MTT法评估了Mn（II）配位聚合物的细胞毒性作用。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.