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N-水杨醛亚胺-L-缬氨酸不同配合物超分子链的五个拓扑不变量的比较研究

Comparative study of five topological invariants of supramolecular chain of different complexes of N-salicylidene-L-valine.

作者信息

Zhang Xiujun, Saleem Umair, Waheed Muhammad, Jamil Muhammad Kamran, Zeeshan Muhammad

机构信息

School of Computer Science, Chengdu University, Chengdu, China.

Muslim Model Girls Higher Secondary School Zafarwal, Narowal, Pakistan.

出版信息

Math Biosci Eng. 2023 May 4;20(7):11528-11544. doi: 10.3934/mbe.2023511.

Abstract

L-valine is a crucial amino acid that has rising market demand and numerous uses. It can be used to make specific nutrients, animal feed additives, cosmetic ingredients, and other things in the medical and agricultural fields. N-salicylidene-L-valine (NsLv) is attracting a lot of attention due to its unusual structure and enhanced catalytic and cytotoxic activities. Topological index is a numerical value which is associated with the molecular structure. It is very helpful to predict physio-chemical properties and Quantitative structure-activity relationship and Quantitative structure-property relationship modeling. We study the supramolecular chain (Sc) in the dialkyl tin of complexes 2, 3 and 4 of NsLv to better understand this structure and its topological index-related characteristics. Additionally, we compare topological indices and analyze how these structures relate to one another using concrete examples.

摘要

L-缬氨酸是一种关键氨基酸,市场需求不断增长且用途广泛。它可用于制造特定营养物质、动物饲料添加剂、化妆品成分以及医疗和农业领域的其他产品。N-水杨醛-L-缬氨酸(NsLv)因其独特结构以及增强的催化和细胞毒性活性而备受关注。拓扑指数是一个与分子结构相关的数值。它对于预测物理化学性质以及定量构效关系和定量构性关系建模非常有帮助。我们研究了NsLv配合物2、3和4的二烷基锡中的超分子链(Sc),以更好地理解这种结构及其与拓扑指数相关的特性。此外,我们比较拓扑指数,并通过具体实例分析这些结构之间的相互关系。

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