On the Application of the New Spin Exchange Paradigm to Numerical Modeling of EPR Spectra

IF 1.3 4区 物理与天体物理 Q4 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
S. O. Travin, K. M. Salikhov
{"title":"On the Application of the New Spin Exchange Paradigm to Numerical Modeling of EPR Spectra","authors":"S. O. Travin,&nbsp;K. M. Salikhov","doi":"10.1007/s00723-025-01793-w","DOIUrl":null,"url":null,"abstract":"<div><p>The shape of the EPR spectrum in conditions when spin exchange is an essential feature of the spin system contains peculiar information about molecular mobility. The mathematical model of such systems is the paradigm of collective modes developed by Kev Salikhov in the last 10 or more years (Molin et al., Spin Exchange: Principles and Applications in Chemistry and Biology, Springer-Verlag, New York, 1980; Salikhov, Appl. Magn. Reson. 47:1207–1227, 2016; Salikhov, UFN 189:1017–1043, 2019). Our task was to extract the quantitative parameters of this model from experimentally obtained spectra and correlate them with the physical characteristics of the environment in which the measurements were taken. Thus, our idea, if successfully developed, can be used to determine the characteristics of molecular dynamics in a wide variety of objects, such as membranes, glasses, colloidal systems, semiconductors, and superconductors.</p></div>","PeriodicalId":469,"journal":{"name":"Applied Magnetic Resonance","volume":"56 :","pages":"1163 - 1180"},"PeriodicalIF":1.3000,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Applied Magnetic Resonance","FirstCategoryId":"101","ListUrlMain":"https://link.springer.com/article/10.1007/s00723-025-01793-w","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
引用次数: 0

Abstract

The shape of the EPR spectrum in conditions when spin exchange is an essential feature of the spin system contains peculiar information about molecular mobility. The mathematical model of such systems is the paradigm of collective modes developed by Kev Salikhov in the last 10 or more years (Molin et al., Spin Exchange: Principles and Applications in Chemistry and Biology, Springer-Verlag, New York, 1980; Salikhov, Appl. Magn. Reson. 47:1207–1227, 2016; Salikhov, UFN 189:1017–1043, 2019). Our task was to extract the quantitative parameters of this model from experimentally obtained spectra and correlate them with the physical characteristics of the environment in which the measurements were taken. Thus, our idea, if successfully developed, can be used to determine the characteristics of molecular dynamics in a wide variety of objects, such as membranes, glasses, colloidal systems, semiconductors, and superconductors.

新自旋交换范式在EPR光谱数值模拟中的应用
当自旋交换是自旋系统的基本特征时,EPR谱的形状包含了分子迁移率的特殊信息。这种系统的数学模型是Kev Salikhov在过去10年或更久的时间里开发的集体模式范式(Molin等人,自旋交换:化学和生物学中的原理和应用,Springer-Verlag, New York, 1980; Salikhov, appll .)。粉剂。[j] . 47:1207-1227, 2016;中国生物医学工程学报,2019,29(1):1 - 4。我们的任务是从实验获得的光谱中提取该模型的定量参数,并将它们与测量环境的物理特性相关联。因此,我们的想法,如果成功开发,可以用来确定分子动力学的特点,在各种各样的物体,如膜,玻璃,胶体系统,半导体,超导体。
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
Applied Magnetic Resonance
Applied Magnetic Resonance 物理-光谱学
CiteScore
1.90
自引率
10.00%
发文量
59
审稿时长
2.3 months
期刊介绍: Applied Magnetic Resonance provides an international forum for the application of magnetic resonance in physics, chemistry, biology, medicine, geochemistry, ecology, engineering, and related fields. The contents include articles with a strong emphasis on new applications, and on new experimental methods. Additional features include book reviews and Letters to the Editor.
×
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:604180095
Book学术官方微信
小红书