Tomas Orlando , Huyen Bui , Jhersie Cabigting , Natalie Ibbetson , Johan van Tol , Thierry Dubroca , Xiaoling Wang , Frederic Mentink-Vigier
{"title":"非极性溶剂对高磁场下动态核极化的影响","authors":"Tomas Orlando , Huyen Bui , Jhersie Cabigting , Natalie Ibbetson , Johan van Tol , Thierry Dubroca , Xiaoling Wang , Frederic Mentink-Vigier","doi":"10.1016/j.jmr.2025.107885","DOIUrl":null,"url":null,"abstract":"<div><div>Dynamic nuclear polarization (DNP) in liquids can enhance NMR signals by up to two orders of magnitude at magnetic fields greater than 9.4 T. The DNP experiment relies on driving electron spin transitions through microwave irradiation of the sample, which requires the solvent/sample to be transparent to microwaves. The physical models describing spin polarization transfer neglect the role of the solvent, despite recent experimental results suggesting that its impact on DNP efficiency can be as much as a factor of three. In this study, we aim to clarify how and why the solvent may affect DNP experiments at high magnetic fields. We examined known systems (<sup>13</sup>C-CCl<sub>4</sub>/TEMPO and PPh<sub>3</sub>/BDPA) dispersed in CCl<sub>4</sub>, heptane, and benzene. By measuring their EPR properties, simulating microwave propagation patterns, and quantitatively assessing the DNP enhancements at 14.1 T, we determined that the choice of non-polar solvent is not critical to the outcome of a DNP experiment. Furthermore, our experimental results and electromagnetic simulations enable us to assess the state-of-the-art capabilities of DNP instruments at high magnetic fields and propose directions for possible future improvements.</div></div>","PeriodicalId":16267,"journal":{"name":"Journal of magnetic resonance","volume":"375 ","pages":"Article 107885"},"PeriodicalIF":1.9000,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Impact of non-polar solvents in dynamic nuclear polarization at high magnetic fields\",\"authors\":\"Tomas Orlando , Huyen Bui , Jhersie Cabigting , Natalie Ibbetson , Johan van Tol , Thierry Dubroca , Xiaoling Wang , Frederic Mentink-Vigier\",\"doi\":\"10.1016/j.jmr.2025.107885\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Dynamic nuclear polarization (DNP) in liquids can enhance NMR signals by up to two orders of magnitude at magnetic fields greater than 9.4 T. The DNP experiment relies on driving electron spin transitions through microwave irradiation of the sample, which requires the solvent/sample to be transparent to microwaves. The physical models describing spin polarization transfer neglect the role of the solvent, despite recent experimental results suggesting that its impact on DNP efficiency can be as much as a factor of three. In this study, we aim to clarify how and why the solvent may affect DNP experiments at high magnetic fields. We examined known systems (<sup>13</sup>C-CCl<sub>4</sub>/TEMPO and PPh<sub>3</sub>/BDPA) dispersed in CCl<sub>4</sub>, heptane, and benzene. By measuring their EPR properties, simulating microwave propagation patterns, and quantitatively assessing the DNP enhancements at 14.1 T, we determined that the choice of non-polar solvent is not critical to the outcome of a DNP experiment. Furthermore, our experimental results and electromagnetic simulations enable us to assess the state-of-the-art capabilities of DNP instruments at high magnetic fields and propose directions for possible future improvements.</div></div>\",\"PeriodicalId\":16267,\"journal\":{\"name\":\"Journal of magnetic resonance\",\"volume\":\"375 \",\"pages\":\"Article 107885\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2025-04-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of magnetic resonance\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1090780725000576\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of magnetic resonance","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1090780725000576","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Impact of non-polar solvents in dynamic nuclear polarization at high magnetic fields
Dynamic nuclear polarization (DNP) in liquids can enhance NMR signals by up to two orders of magnitude at magnetic fields greater than 9.4 T. The DNP experiment relies on driving electron spin transitions through microwave irradiation of the sample, which requires the solvent/sample to be transparent to microwaves. The physical models describing spin polarization transfer neglect the role of the solvent, despite recent experimental results suggesting that its impact on DNP efficiency can be as much as a factor of three. In this study, we aim to clarify how and why the solvent may affect DNP experiments at high magnetic fields. We examined known systems (13C-CCl4/TEMPO and PPh3/BDPA) dispersed in CCl4, heptane, and benzene. By measuring their EPR properties, simulating microwave propagation patterns, and quantitatively assessing the DNP enhancements at 14.1 T, we determined that the choice of non-polar solvent is not critical to the outcome of a DNP experiment. Furthermore, our experimental results and electromagnetic simulations enable us to assess the state-of-the-art capabilities of DNP instruments at high magnetic fields and propose directions for possible future improvements.
期刊介绍:
The Journal of Magnetic Resonance presents original technical and scientific papers in all aspects of magnetic resonance, including nuclear magnetic resonance spectroscopy (NMR) of solids and liquids, electron spin/paramagnetic resonance (EPR), in vivo magnetic resonance imaging (MRI) and spectroscopy (MRS), nuclear quadrupole resonance (NQR) and magnetic resonance phenomena at nearly zero fields or in combination with optics. The Journal''s main aims include deepening the physical principles underlying all these spectroscopies, publishing significant theoretical and experimental results leading to spectral and spatial progress in these areas, and opening new MR-based applications in chemistry, biology and medicine. The Journal also seeks descriptions of novel apparatuses, new experimental protocols, and new procedures of data analysis and interpretation - including computational and quantum-mechanical methods - capable of advancing MR spectroscopy and imaging.