Francesco Torricella, G Marius Clore, Vitali Tugarinov
{"title":"A Closed-Form Expression for Analysis of Dark State Exchange Saturation Transfer (DEST) NMR Experiments.","authors":"Francesco Torricella, G Marius Clore, Vitali Tugarinov","doi":"10.1021/acs.jpclett.4c02509","DOIUrl":null,"url":null,"abstract":"<p><p>Closed-form expressions for the analysis of Dark state Exchange Saturation Transfer (DEST) NMR experiments, a powerful experimental tool for characterizing exchange processes involving the interaction of NMR visible species with very high molecular weight partners, is presented. Essentially identical exchange and relaxation parameters are derived from the analytical and numerical best fits of the DEST profiles obtained for a protein construct derived from huntingtin exon-1, comprising the N-terminal amphiphilic sequence followed by a seven-residue glutamine repeat, htt<sup>NT</sup>Q<sub>7</sub>, in the presence of small (SUV) and large (LUV) unilamellar lipid vesicles. The use of analytical expressions significantly speeds up the fitting of experimental DEST profiles to a two-state exchange model and simplifies the analysis of the DEST effects.</p>","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":4.8000,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry Letters","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpclett.4c02509","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/10/28 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Closed-form expressions for the analysis of Dark state Exchange Saturation Transfer (DEST) NMR experiments, a powerful experimental tool for characterizing exchange processes involving the interaction of NMR visible species with very high molecular weight partners, is presented. Essentially identical exchange and relaxation parameters are derived from the analytical and numerical best fits of the DEST profiles obtained for a protein construct derived from huntingtin exon-1, comprising the N-terminal amphiphilic sequence followed by a seven-residue glutamine repeat, httNTQ7, in the presence of small (SUV) and large (LUV) unilamellar lipid vesicles. The use of analytical expressions significantly speeds up the fitting of experimental DEST profiles to a two-state exchange model and simplifies the analysis of the DEST effects.
暗态交换饱和转移（DEST）核磁共振实验是表征涉及核磁共振可见物种与极高分子量伙伴相互作用的交换过程的强大实验工具，本文介绍了分析暗态交换饱和转移（DEST）核磁共振实验的闭式表达式。在小型（SUV）和大型（LUV）单线粒体脂质囊泡存在的情况下，从亨廷汀外显子-1 蛋白构建体（包括 N 端两亲序列和 7 个残基谷氨酰胺重复序列 httNTQ7）获得的 DEST 曲线的分析和数值最佳拟合结果推导出了基本相同的交换和弛豫参数。分析表达式的使用大大加快了将实验DEST曲线拟合到双态交换模型的速度，并简化了对DEST效应的分析。
期刊介绍：
The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
