Ni@Fe3O4/l-alanine-acrylamide nanocomposite catalyzed Suzuki transformation reactions and estrogen inhibitory activity: Experimental and docking investigation

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2025-03-15 DOI:10.1016/j.poly.2025.117495

Poonam Rani, Vandana, Karampreet Kaur, Babaldeep Kaur, Kamal Nain Singh, Amarjit Kaur, Gurjaspreet Singh, Sudha Malik, Jigmet Angmo, Pawan

引用次数: 0

Abstract

A simple and efficient method was developed to prepare Ni@Fe₃O₄/l-Alanine-Acrylamide nanocomposite(Ni@Fe₃O₄/Ala-AA) as a magnetic-supported heterogeneous catalyst. The prepared catalyst has been characterized through XRD, FTIR and HR-TEM examinations. The obtained magnetic nanocomposite exhibited excellent activity as a new heterogeneous magnetic catalyst for Suzuki coupling reaction under mild conditions along with high level of reusability. This procedure has advantages such as simplicity of work-up, ecofriendlyreaction medium, low cost and mild conditions of reaction. In addition, thebinding modes of prepared inorganic–organic hybrid nanocomposite to estrogen receptor were studied by moleculardocking to investigate their estrogen inhibitory activity.

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Ni@Fe3O4/l-丙烯酰胺纳米复合材料催化铃木转化反应及雌激素抑制活性：实验与对接研究

建立了一种简单高效的制备Ni@Fe3O4/l-丙氨酸-丙烯酰胺纳米复合材料（Ni@Fe3O4/Ala-AA）磁负载非均相催化剂的方法。通过XRD、FTIR和HR-TEM对所制催化剂进行了表征。所制备的磁性纳米复合材料作为一种新型的多相磁性铃木偶联催化剂，在温和的条件下具有优异的活性，并且具有较高的可重复利用性。该方法具有操作简单、反应介质环保、成本低、反应条件温和等优点。此外，通过分子对接研究了制备的无机-有机杂化纳米复合材料与雌激素受体的结合模式，考察了其雌激素抑制活性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.