Dr. James R. D. Montgomery, Emma L. Gates, Dr. Marshall J. Smith, Dr. Daniel A. Taylor, Dr. Jonathan P. Bradley, Dr. Daniel B. G. Berry, Dr. Peter Kiraly, Prof. Mathias Nilsson, Prof. Gareth A. Morris, Dr. Ralph W. Adams, Dr. Laura Castañar
{"title":"超选择性、超高分辨率 1D TOCSY","authors":"Dr. James R. D. Montgomery, Emma L. Gates, Dr. Marshall J. Smith, Dr. Daniel A. Taylor, Dr. Jonathan P. Bradley, Dr. Daniel B. G. Berry, Dr. Peter Kiraly, Prof. Mathias Nilsson, Prof. Gareth A. Morris, Dr. Ralph W. Adams, Dr. Laura Castañar","doi":"10.1002/cmtd.202400013","DOIUrl":null,"url":null,"abstract":"<p>Solution state <sup>1</sup>H NMR spectroscopy provides valuable insights into molecular structure and conformation. However, when the spectrum exhibits severe signal overlap, it hampers the extraction of key structural information. Here, an ultraselective, ultrahigh resolution TOCSY method is introduced that greatly reduces spectral complexity, allowing the extraction of previously inaccessible spectral information. It combines the recently developed GEMSTONE excitation with homonuclear decoupling to provide highly simplified through-bond correlation 1D <sup>1</sup>H NMR spectra, showing all signals within the selected spin system as singlets. The new method can greatly facilitate the analysis of mixtures, as shown here for a mixture of <i>Cinchona</i> alkaloids (popular catalysts in asymmetric synthesis) and a mixture of glucocorticoids (used for treating conditions such as asthma).</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"4 9","pages":""},"PeriodicalIF":6.1000,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400013","citationCount":"0","resultStr":"{\"title\":\"Ultraselective, Ultrahigh Resolution 1D TOCSY\",\"authors\":\"Dr. James R. D. Montgomery, Emma L. Gates, Dr. Marshall J. Smith, Dr. Daniel A. Taylor, Dr. Jonathan P. Bradley, Dr. Daniel B. G. Berry, Dr. Peter Kiraly, Prof. Mathias Nilsson, Prof. Gareth A. Morris, Dr. Ralph W. Adams, Dr. Laura Castañar\",\"doi\":\"10.1002/cmtd.202400013\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Solution state <sup>1</sup>H NMR spectroscopy provides valuable insights into molecular structure and conformation. However, when the spectrum exhibits severe signal overlap, it hampers the extraction of key structural information. Here, an ultraselective, ultrahigh resolution TOCSY method is introduced that greatly reduces spectral complexity, allowing the extraction of previously inaccessible spectral information. It combines the recently developed GEMSTONE excitation with homonuclear decoupling to provide highly simplified through-bond correlation 1D <sup>1</sup>H NMR spectra, showing all signals within the selected spin system as singlets. The new method can greatly facilitate the analysis of mixtures, as shown here for a mixture of <i>Cinchona</i> alkaloids (popular catalysts in asymmetric synthesis) and a mixture of glucocorticoids (used for treating conditions such as asthma).</p>\",\"PeriodicalId\":72562,\"journal\":{\"name\":\"Chemistry methods : new approaches to solving problems in chemistry\",\"volume\":\"4 9\",\"pages\":\"\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2024-08-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400013\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemistry methods : new approaches to solving problems in chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/cmtd.202400013\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry methods : new approaches to solving problems in chemistry","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cmtd.202400013","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Solution state 1H NMR spectroscopy provides valuable insights into molecular structure and conformation. However, when the spectrum exhibits severe signal overlap, it hampers the extraction of key structural information. Here, an ultraselective, ultrahigh resolution TOCSY method is introduced that greatly reduces spectral complexity, allowing the extraction of previously inaccessible spectral information. It combines the recently developed GEMSTONE excitation with homonuclear decoupling to provide highly simplified through-bond correlation 1D 1H NMR spectra, showing all signals within the selected spin system as singlets. The new method can greatly facilitate the analysis of mixtures, as shown here for a mixture of Cinchona alkaloids (popular catalysts in asymmetric synthesis) and a mixture of glucocorticoids (used for treating conditions such as asthma).