Fundamental aspects of the molecular topology of fuchsine acid dye with connection numbers

IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL
Ali N. A. Koam, Ali Ahmad, Shahid Zaman, Ibtisam Masmali, Haleemah Ghazwani
{"title":"Fundamental aspects of the molecular topology of fuchsine acid dye with connection numbers","authors":"Ali N. A. Koam,&nbsp;Ali Ahmad,&nbsp;Shahid Zaman,&nbsp;Ibtisam Masmali,&nbsp;Haleemah Ghazwani","doi":"10.1140/epje/s10189-024-00418-7","DOIUrl":null,"url":null,"abstract":"<p>Fuchsine acid serves as a supramolecular dye in Masson’s trichrome stain, finding extensive applications in histology. It is also utilized with picric acid in Van Gieson’s method to reveal red collagen fibers and in Masson’s trichrome to highlight smooth muscle in contrast to collagen. Beyond these applications, it plays a crucial role in electronic fields and photonic devices as an organic semiconductor. Therefore, investigating and predicting the complex molecular structure of fuchsine acid becomes essential, serving as the foundation for understanding its physicochemical features. This article employs topological modeling, specifically a connection number edge partition, to explore the supramolecular nature of fuchsine acid. Closed formulae for key degree-based molecular descriptors are derived, aiming to illuminate the effectiveness of these descriptors for QSAR and QSPR analyses.</p><p>The 2D structure of fuchsine graph with connection numbers</p>","PeriodicalId":790,"journal":{"name":"The European Physical Journal E","volume":"47 4","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2024-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The European Physical Journal E","FirstCategoryId":"4","ListUrlMain":"https://link.springer.com/article/10.1140/epje/s10189-024-00418-7","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

Abstract

Fuchsine acid serves as a supramolecular dye in Masson’s trichrome stain, finding extensive applications in histology. It is also utilized with picric acid in Van Gieson’s method to reveal red collagen fibers and in Masson’s trichrome to highlight smooth muscle in contrast to collagen. Beyond these applications, it plays a crucial role in electronic fields and photonic devices as an organic semiconductor. Therefore, investigating and predicting the complex molecular structure of fuchsine acid becomes essential, serving as the foundation for understanding its physicochemical features. This article employs topological modeling, specifically a connection number edge partition, to explore the supramolecular nature of fuchsine acid. Closed formulae for key degree-based molecular descriptors are derived, aiming to illuminate the effectiveness of these descriptors for QSAR and QSPR analyses.

The 2D structure of fuchsine graph with connection numbers

Abstract Image

具有连接数的紫丁香酸染料分子拓扑的基本方面
摘要富钦酸是马森三色染色法中的一种超分子染料,在组织学中应用广泛。在 Van Gieson 方法中,它还与苦味酸一起用于显示红色胶原纤维;在马森三色染色法中,它与胶原形成对比,突出平滑肌。除了这些应用之外,它还作为一种有机半导体在电子领域和光子设备中发挥着重要作用。因此,研究和预测富钦酸的复杂分子结构至关重要,这也是了解其物理化学特征的基础。本文采用拓扑建模,特别是连接数边缘分区,来探索紫苏酸的超分子性质。本文推导了基于关键度的分子描述符的封闭公式,旨在阐明这些描述符在 QSAR 和 QSPR 分析中的有效性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
The European Physical Journal E
The European Physical Journal E CHEMISTRY, PHYSICAL-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
2.60
自引率
5.60%
发文量
92
审稿时长
3 months
期刊介绍: EPJ E publishes papers describing advances in the understanding of physical aspects of Soft, Liquid and Living Systems. Soft matter is a generic term for a large group of condensed, often heterogeneous systems -- often also called complex fluids -- that display a large response to weak external perturbations and that possess properties governed by slow internal dynamics. Flowing matter refers to all systems that can actually flow, from simple to multiphase liquids, from foams to granular matter. Living matter concerns the new physics that emerges from novel insights into the properties and behaviours of living systems. Furthermore, it aims at developing new concepts and quantitative approaches for the study of biological phenomena. Approaches from soft matter physics and statistical physics play a key role in this research. The journal includes reports of experimental, computational and theoretical studies and appeals to the broad interdisciplinary communities including physics, chemistry, biology, mathematics and materials science.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信