Prediction of high-frequency electron paramagnetic resonance spectra of spin S = 32, 52 systems

Hanqing Wu
{"title":"Prediction of high-frequency electron paramagnetic resonance spectra of spin S = 32, 52 systems","authors":"Hanqing Wu","doi":"10.1016/S0263-7855(97)00005-2","DOIUrl":null,"url":null,"abstract":"<div><p>By the use of the universal EPR simulation program created by the author, spin <span><math><mtext>S = </mtext><mtext>3</mtext><mtext>2</mtext></math></span> and <span><math><mtext>S = </mtext><mtext>5</mtext><mtext>2</mtext></math></span> systems are studied and their simulated EPR spectra at high frequencies (Q-band for 35 GHz and W-band for 95 GHz) are presented here. The mononuclear Fe<sup>3+</sup> in rubredoxin, isolated from <em>Pseudomonas oleovorans</em> (which is an <span><math><mtext>S = </mtext><mtext>5</mtext><mtext>2</mtext></math></span> system with <em>D</em> = 1.76 cm<sup>−1</sup> and <span><math><mtext>E</mtext><mtext>D</mtext><mtext> = 0.28</mtext></math></span>), is extensively studied by EPR spectrum simulation at the Q-band, W-band, and “Z”-band. The molybdenum- and iron-containing protein (MoFe protein), which has g values at <em>g</em> = 4.32, 3.65, and 2.01 (<span><math><mtext>S = </mtext><mtext>3</mtext><mtext>2</mtext></math></span>, <em>D</em> = 6.0 cm<sup>−1</sup>, and <span><math><mtext>E</mtext><mtext>D</mtext><mtext> = 0.055</mtext></math></span>) at the X-band, is also studied by EPR spectrum simulation at high frequencies.</p></div>","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 6","pages":"Pages 338-340"},"PeriodicalIF":0.0000,"publicationDate":"1996-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0263-7855(97)00005-2","citationCount":"3","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of molecular graphics","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0263785597000052","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 3

Abstract

By the use of the universal EPR simulation program created by the author, spin S = 32 and S = 52 systems are studied and their simulated EPR spectra at high frequencies (Q-band for 35 GHz and W-band for 95 GHz) are presented here. The mononuclear Fe3+ in rubredoxin, isolated from Pseudomonas oleovorans (which is an S = 52 system with D = 1.76 cm−1 and ED = 0.28), is extensively studied by EPR spectrum simulation at the Q-band, W-band, and “Z”-band. The molybdenum- and iron-containing protein (MoFe protein), which has g values at g = 4.32, 3.65, and 2.01 (S = 32, D = 6.0 cm−1, and ED = 0.055) at the X-band, is also studied by EPR spectrum simulation at high frequencies.

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
自旋S = 32,52体系的高频电子顺磁共振谱预测
利用作者编写的通用EPR仿真程序,对自旋S = 32和S = 52系统进行了研究,得到了它们在高频段(35 GHz的q波段和95 GHz的w波段)的EPR仿真谱。本文采用EPR谱模拟方法,对从油酸假单胞菌(Pseudomonas oleovorans, S = 52, D = 1.76 cm−1,ED = 0.28)中分离的rubbredoxin中的单核Fe3+进行了q波段、w波段和Z波段的研究。对x波段g值分别为g = 4.32、3.65和2.01 (S = 32, D = 6.0 cm−1,ED = 0.055)的含钼铁蛋白(MoFe蛋白)进行了高频EPR谱模拟。
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 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Optimization of dry-aging conditions for chicken meat using the electric field supercooling system. Diffusion Tensor Imaging in Parenchymal Neuro-Behçet's Disease. Resilience predicts posttraumatic cognitions after a trauma reminder task and subsequent positive emotion induction among veterans with PTSD. Correction to Szabo et al. (2022). HOLE: A program for the analysis of the pore dimensions of ion channel structural models Modeling polysaccharides: Present status and challenges
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1