{"title":"Nuclear Cross-Effect NMR","authors":"Zhenfeng Pang, Jake Lumsden, Kong Ooi Tan","doi":"10.1021/acs.jpclett.5c02565","DOIUrl":null,"url":null,"abstract":"Dynamic nuclear polarization (DNP) has significantly enhanced the sensitivity of nuclear magnetic resonance (NMR) experiments. While Overhauser DNP has a well-established nuclear counterpart, the nuclear Overhauser effect (NOE), the cross-effect DNP has traditionally been considered as an exclusively electron-mediated process. Here, we present the first evidence of a nuclear counterpart to the cross effect, termed the nuclear cross effect, which mediates polarization transfer in a three-spin nuclear system. The effect was experimentally verified using single-crystal <sup>13</sup>C–<sup>15</sup>N-labeled glycine, with results consistent with both analytical theory and numerical simulations. The experimental realization of the pulsed nuclear cross-effect in this work provides new insights into its theoretical foundations, addressing challenges posed by hardware limitations and the absence of a suitable model system for pulsed cross-effect DNP. Furthermore, the pulsed cross-effect mechanism has the potential to advance enhanced NMR applications in various fields.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"18 1","pages":""},"PeriodicalIF":4.6000,"publicationDate":"2025-10-03","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.5c02565","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Dynamic nuclear polarization (DNP) has significantly enhanced the sensitivity of nuclear magnetic resonance (NMR) experiments. While Overhauser DNP has a well-established nuclear counterpart, the nuclear Overhauser effect (NOE), the cross-effect DNP has traditionally been considered as an exclusively electron-mediated process. Here, we present the first evidence of a nuclear counterpart to the cross effect, termed the nuclear cross effect, which mediates polarization transfer in a three-spin nuclear system. The effect was experimentally verified using single-crystal 13C–15N-labeled glycine, with results consistent with both analytical theory and numerical simulations. The experimental realization of the pulsed nuclear cross-effect in this work provides new insights into its theoretical foundations, addressing challenges posed by hardware limitations and the absence of a suitable model system for pulsed cross-effect DNP. Furthermore, the pulsed cross-effect mechanism has the potential to advance enhanced NMR applications in various fields.
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.