Slice through the water-Exploring the fundamental challenge of water suppression for benchtop NMR systems
Benchtop NMR provides improved accessibility in terms of cost, space, and technical expertise. In turn, this encourages new users into the field of NMR spectroscopy. Unfortunately, many interesting samples in education and research, from beer to whole blood, contain significant amounts of water that...
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Veröffentlicht in: | Magnetic resonance in chemistry 2024-06, Vol.62 (6), p.463-473 |
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creator | Pellizzari, Jacob Soong, Ronald Downey, Katelyn Biswas, Rajshree Ghosh Kock, Flavio C Steiner, Katrina Goerling, Benjamin Haber, Agnes Decker, Venita Busse, Falko Simpson, Myrna Simpson, Andre |
description | Benchtop NMR provides improved accessibility in terms of cost, space, and technical expertise. In turn, this encourages new users into the field of NMR spectroscopy. Unfortunately, many interesting samples in education and research, from beer to whole blood, contain significant amounts of water that require suppression in
H NMR in order to recover sample information. However, due to the significant reduction in chemical shift dispersion in benchtop NMR systems, the sample signals are much closer to the water resonance compared to those in a corresponding high-field NMR spectrum. Therefore, simply translating solvent suppression experiments intended for high-field NMR instruments to benchtop NMR systems without careful consideration can be problematic. In this study, the effectiveness of several popular water suppression schemes was evaluated for benchtop NMR applications. Emphasis is placed on pulse sequences with no, or few, adjustable parameters making them easy to implement. These fall into two main categories: (1) those based on Pre-SAT including Pre-SAT, PURGE, NOESY-PR, and g-NOESY-PR and (2) those based on binomial inversion including JRS and W5-WATERGATE. Among these schemes, solvent suppression sequences based on Pre-SAT offer a general approach for easy solvent suppression for samples with higher analyte concentrations (sucrose standard and Redbull™). However, for human urine, binomial-like sequences were required. In summary, it is demonstrated that highly efficient water suppression approaches can be implemented on benchtop NMR systems in a simple manner, despite the limited spectral dispersion, further illustrating the potential for widespread implementation of these approaches in education and research. |
doi_str_mv | 10.1002/mrc.5431 |
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H NMR in order to recover sample information. However, due to the significant reduction in chemical shift dispersion in benchtop NMR systems, the sample signals are much closer to the water resonance compared to those in a corresponding high-field NMR spectrum. Therefore, simply translating solvent suppression experiments intended for high-field NMR instruments to benchtop NMR systems without careful consideration can be problematic. In this study, the effectiveness of several popular water suppression schemes was evaluated for benchtop NMR applications. Emphasis is placed on pulse sequences with no, or few, adjustable parameters making them easy to implement. These fall into two main categories: (1) those based on Pre-SAT including Pre-SAT, PURGE, NOESY-PR, and g-NOESY-PR and (2) those based on binomial inversion including JRS and W5-WATERGATE. Among these schemes, solvent suppression sequences based on Pre-SAT offer a general approach for easy solvent suppression for samples with higher analyte concentrations (sucrose standard and Redbull™). However, for human urine, binomial-like sequences were required. In summary, it is demonstrated that highly efficient water suppression approaches can be implemented on benchtop NMR systems in a simple manner, despite the limited spectral dispersion, further illustrating the potential for widespread implementation of these approaches in education and research.</description><identifier>ISSN: 0749-1581</identifier><identifier>EISSN: 1097-458X</identifier><identifier>DOI: 10.1002/mrc.5431</identifier><identifier>PMID: 38282484</identifier><language>eng</language><publisher>England: Wiley Subscription Services, Inc</publisher><subject>Chemical equilibrium ; Education ; NMR spectroscopy ; Solvents ; System effectiveness</subject><ispartof>Magnetic resonance in chemistry, 2024-06, Vol.62 (6), p.463-473</ispartof><rights>2024 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.</rights><rights>2024. This article is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c306t-af6b5ba86ce2bc2332d104ef14378ebb4f800f0667da019eb5cb9a516e0943993</cites><orcidid>0000-0002-8247-5450</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/38282484$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Pellizzari, Jacob</creatorcontrib><creatorcontrib>Soong, Ronald</creatorcontrib><creatorcontrib>Downey, Katelyn</creatorcontrib><creatorcontrib>Biswas, Rajshree Ghosh</creatorcontrib><creatorcontrib>Kock, Flavio C</creatorcontrib><creatorcontrib>Steiner, Katrina</creatorcontrib><creatorcontrib>Goerling, Benjamin</creatorcontrib><creatorcontrib>Haber, Agnes</creatorcontrib><creatorcontrib>Decker, Venita</creatorcontrib><creatorcontrib>Busse, Falko</creatorcontrib><creatorcontrib>Simpson, Myrna</creatorcontrib><creatorcontrib>Simpson, Andre</creatorcontrib><title>Slice through the water-Exploring the fundamental challenge of water suppression for benchtop NMR systems</title><title>Magnetic resonance in chemistry</title><addtitle>Magn Reson Chem</addtitle><description>Benchtop NMR provides improved accessibility in terms of cost, space, and technical expertise. In turn, this encourages new users into the field of NMR spectroscopy. Unfortunately, many interesting samples in education and research, from beer to whole blood, contain significant amounts of water that require suppression in
H NMR in order to recover sample information. However, due to the significant reduction in chemical shift dispersion in benchtop NMR systems, the sample signals are much closer to the water resonance compared to those in a corresponding high-field NMR spectrum. Therefore, simply translating solvent suppression experiments intended for high-field NMR instruments to benchtop NMR systems without careful consideration can be problematic. In this study, the effectiveness of several popular water suppression schemes was evaluated for benchtop NMR applications. Emphasis is placed on pulse sequences with no, or few, adjustable parameters making them easy to implement. These fall into two main categories: (1) those based on Pre-SAT including Pre-SAT, PURGE, NOESY-PR, and g-NOESY-PR and (2) those based on binomial inversion including JRS and W5-WATERGATE. Among these schemes, solvent suppression sequences based on Pre-SAT offer a general approach for easy solvent suppression for samples with higher analyte concentrations (sucrose standard and Redbull™). However, for human urine, binomial-like sequences were required. In summary, it is demonstrated that highly efficient water suppression approaches can be implemented on benchtop NMR systems in a simple manner, despite the limited spectral dispersion, further illustrating the potential for widespread implementation of these approaches in education and research.</description><subject>Chemical equilibrium</subject><subject>Education</subject><subject>NMR spectroscopy</subject><subject>Solvents</subject><subject>System effectiveness</subject><issn>0749-1581</issn><issn>1097-458X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNpdkEtLxDAURoMozjgK_gIJuHFTvWnSNlnK4At8gA9wV5LMzUyHtqlJi_rvnfEJrj64HA6XQ8g-g2MGkJ40wR5ngrMNMmagikRk8nmTjKEQKmGZZCOyE-MSAJQq-DYZcZnKVEgxJtVDXVmk_SL4Yb5YLdJX3WNIzt662oeqnX_e3NDOdINtr2tqF7qusZ0j9e4LpnHouoAxVr6lzgdqsLWL3nf09uaexvfYYxN3yZbTdcS9752Qp_Ozx-llcn13cTU9vU4sh7xPtMtNZrTMLabGppynMwYCHRO8kGiMcBLAQZ4XMw1MocmsUTpjOYISXCk-IUdf3i74lwFjXzZVtFjXukU_xDJVTBWi4HKNHv5Dl34I7eq7koNIC5YzyP6ENvgYA7qyC1Wjw3vJoFznL1f5y3X-FXrwLRxMg7Nf8Kc3_wByuoDl</recordid><startdate>20240601</startdate><enddate>20240601</enddate><creator>Pellizzari, Jacob</creator><creator>Soong, Ronald</creator><creator>Downey, Katelyn</creator><creator>Biswas, Rajshree Ghosh</creator><creator>Kock, Flavio C</creator><creator>Steiner, Katrina</creator><creator>Goerling, Benjamin</creator><creator>Haber, Agnes</creator><creator>Decker, Venita</creator><creator>Busse, Falko</creator><creator>Simpson, Myrna</creator><creator>Simpson, Andre</creator><general>Wiley Subscription Services, Inc</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>JQ2</scope><scope>K9.</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-8247-5450</orcidid></search><sort><creationdate>20240601</creationdate><title>Slice through the water-Exploring the fundamental challenge of water suppression for benchtop NMR systems</title><author>Pellizzari, Jacob ; Soong, Ronald ; Downey, Katelyn ; Biswas, Rajshree Ghosh ; Kock, Flavio C ; Steiner, Katrina ; Goerling, Benjamin ; Haber, Agnes ; Decker, Venita ; Busse, Falko ; Simpson, Myrna ; Simpson, Andre</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c306t-af6b5ba86ce2bc2332d104ef14378ebb4f800f0667da019eb5cb9a516e0943993</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Chemical equilibrium</topic><topic>Education</topic><topic>NMR spectroscopy</topic><topic>Solvents</topic><topic>System effectiveness</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Pellizzari, Jacob</creatorcontrib><creatorcontrib>Soong, Ronald</creatorcontrib><creatorcontrib>Downey, Katelyn</creatorcontrib><creatorcontrib>Biswas, Rajshree Ghosh</creatorcontrib><creatorcontrib>Kock, Flavio C</creatorcontrib><creatorcontrib>Steiner, Katrina</creatorcontrib><creatorcontrib>Goerling, Benjamin</creatorcontrib><creatorcontrib>Haber, Agnes</creatorcontrib><creatorcontrib>Decker, Venita</creatorcontrib><creatorcontrib>Busse, Falko</creatorcontrib><creatorcontrib>Simpson, Myrna</creatorcontrib><creatorcontrib>Simpson, Andre</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>ProQuest Health & Medical Complete (Alumni)</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Magnetic resonance in chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Pellizzari, Jacob</au><au>Soong, Ronald</au><au>Downey, Katelyn</au><au>Biswas, Rajshree Ghosh</au><au>Kock, Flavio C</au><au>Steiner, Katrina</au><au>Goerling, Benjamin</au><au>Haber, Agnes</au><au>Decker, Venita</au><au>Busse, Falko</au><au>Simpson, Myrna</au><au>Simpson, Andre</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Slice through the water-Exploring the fundamental challenge of water suppression for benchtop NMR systems</atitle><jtitle>Magnetic resonance in chemistry</jtitle><addtitle>Magn Reson Chem</addtitle><date>2024-06-01</date><risdate>2024</risdate><volume>62</volume><issue>6</issue><spage>463</spage><epage>473</epage><pages>463-473</pages><issn>0749-1581</issn><eissn>1097-458X</eissn><abstract>Benchtop NMR provides improved accessibility in terms of cost, space, and technical expertise. 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H NMR in order to recover sample information. However, due to the significant reduction in chemical shift dispersion in benchtop NMR systems, the sample signals are much closer to the water resonance compared to those in a corresponding high-field NMR spectrum. Therefore, simply translating solvent suppression experiments intended for high-field NMR instruments to benchtop NMR systems without careful consideration can be problematic. In this study, the effectiveness of several popular water suppression schemes was evaluated for benchtop NMR applications. Emphasis is placed on pulse sequences with no, or few, adjustable parameters making them easy to implement. These fall into two main categories: (1) those based on Pre-SAT including Pre-SAT, PURGE, NOESY-PR, and g-NOESY-PR and (2) those based on binomial inversion including JRS and W5-WATERGATE. Among these schemes, solvent suppression sequences based on Pre-SAT offer a general approach for easy solvent suppression for samples with higher analyte concentrations (sucrose standard and Redbull™). However, for human urine, binomial-like sequences were required. In summary, it is demonstrated that highly efficient water suppression approaches can be implemented on benchtop NMR systems in a simple manner, despite the limited spectral dispersion, further illustrating the potential for widespread implementation of these approaches in education and research.</abstract><cop>England</cop><pub>Wiley Subscription Services, Inc</pub><pmid>38282484</pmid><doi>10.1002/mrc.5431</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-8247-5450</orcidid><oa>free_for_read</oa></addata></record> |
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title | Slice through the water-Exploring the fundamental challenge of water suppression for benchtop NMR systems |
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