Simon V. Babenko , Sergey V. Sviyazov , Dudari B. Burueva , Igor V. Koptyug
{"title":"从乙烯获得的具有非平衡核自旋阶的 2-溴乙醇亚甲基质子的超极化长寿命自旋态","authors":"Simon V. Babenko , Sergey V. Sviyazov , Dudari B. Burueva , Igor V. Koptyug","doi":"10.1016/j.jmr.2024.107648","DOIUrl":null,"url":null,"abstract":"<div><p>In this work we achieve a significant overpopulation (P<sub>LLS</sub>≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(<sup>2</sup>H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The <sup>1</sup>H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (T<sub>LLS</sub>) was shown to be approximately 40 s (≈8T<sub>1</sub>) in the argon-bubbled sample.</p></div>","PeriodicalId":16267,"journal":{"name":"Journal of magnetic resonance","volume":"360 ","pages":"Article 107648"},"PeriodicalIF":2.0000,"publicationDate":"2024-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order\",\"authors\":\"Simon V. Babenko , Sergey V. Sviyazov , Dudari B. Burueva , Igor V. Koptyug\",\"doi\":\"10.1016/j.jmr.2024.107648\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this work we achieve a significant overpopulation (P<sub>LLS</sub>≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(<sup>2</sup>H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The <sup>1</sup>H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (T<sub>LLS</sub>) was shown to be approximately 40 s (≈8T<sub>1</sub>) in the argon-bubbled sample.</p></div>\",\"PeriodicalId\":16267,\"journal\":{\"name\":\"Journal of magnetic resonance\",\"volume\":\"360 \",\"pages\":\"Article 107648\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2024-02-23\",\"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/S1090780724000326\",\"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/S1090780724000326","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order
In this work we achieve a significant overpopulation (PLLS≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(2H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The 1H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (TLLS) was shown to be approximately 40 s (≈8T1) in the argon-bubbled sample.
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.
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