Examining DNA structures with in-droplet hydrogen/deuterium exchange mass spectrometry
Capillary vibrating sharp-edge spray ionization (cVSSI) combined with hydrogen/deuterium exchange-mass spectrometry (HDX-MS) has been utilized to characterize different solution-phase DNA conformers including DNA G-quadruplex topologies as well as triplex DNA and duplex DNA. In general, G-quadruplex...
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creator | Attanayake, Kushani Mahmud, Sultan Banerjee, Chandrima Sharif, Daud Rahman, Mohammad Majuta, Sandra DeBastiani, Anthony Sultana, Mst Nigar Foroushani, Samira Hajian Li, Chong Li, Peng Valentine, Stephen J. |
description | Capillary vibrating sharp-edge spray ionization (cVSSI) combined with hydrogen/deuterium exchange-mass spectrometry (HDX-MS) has been utilized to characterize different solution-phase DNA conformers including DNA G-quadruplex topologies as well as triplex DNA and duplex DNA. In general, G-quadruplex DNA shows a wide range of protection of hydrogens extending from ∼12% to ∼21% deuterium incorporation. Additionally, the DNA sequences selected to represent parallel, antiparallel, and hybrid G-quadruplex topologies exhibit slight differences in deuterium uptake levels which appear to loosely relate to overall conformer stability. Notably, the exchange level for one of the hybrid sequence sub topologies of G-quadruplex DNA (24 TTG) is significantly different (compared with the others studied here) despite the DNA sequences being highly comparable. For the quadruplex-forming sequences, correlation analysis suggests protection of base hydrogens involved in tetrad hydrogen bonding. For duplex DNA ∼19% deuterium incorporation is observed while only ∼16% is observed for triplex DNA. This increased protection of hydrogens may be due to the added backbone scaffolding and Hoogsteen base pairing of the latter species. These experiments lay the groundwork for future studies aimed at determining the structural source of this protection as well as the applicability of the approach for ascertaining different oligonucleotide folds, co-existing conformations, and/or overall conformer flexibility.
[Display omitted]
•In-droplet HDX measurements for canonical and non-canonical DNA structures.•Distinguishing oligonucleotide structures with rapid HDX.•Distinguishing DNA conformer flexibility with rapid HDX.•Distinguishing globular and linear structures of DNA with in-droplet HDX. |
doi_str_mv | 10.1016/j.ijms.2024.117231 |
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[Display omitted]
•In-droplet HDX measurements for canonical and non-canonical DNA structures.•Distinguishing oligonucleotide structures with rapid HDX.•Distinguishing DNA conformer flexibility with rapid HDX.•Distinguishing globular and linear structures of DNA with in-droplet HDX.</description><identifier>ISSN: 1387-3806</identifier><identifier>EISSN: 1873-2798</identifier><identifier>DOI: 10.1016/j.ijms.2024.117231</identifier><identifier>PMID: 38854816</identifier><language>eng</language><publisher>Netherlands: Elsevier B.V</publisher><ispartof>International journal of mass spectrometry, 2024-05, Vol.499, p.117231, Article 117231</ispartof><rights>2024 Elsevier B.V.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c307t-7cf06bc20d68525f2ef7c5202dc4f9f841f407d1d79dec571d74947e923363153</cites><orcidid>0000-0003-4360-2928</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.ijms.2024.117231$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/38854816$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Attanayake, Kushani</creatorcontrib><creatorcontrib>Mahmud, Sultan</creatorcontrib><creatorcontrib>Banerjee, Chandrima</creatorcontrib><creatorcontrib>Sharif, Daud</creatorcontrib><creatorcontrib>Rahman, Mohammad</creatorcontrib><creatorcontrib>Majuta, Sandra</creatorcontrib><creatorcontrib>DeBastiani, Anthony</creatorcontrib><creatorcontrib>Sultana, Mst Nigar</creatorcontrib><creatorcontrib>Foroushani, Samira Hajian</creatorcontrib><creatorcontrib>Li, Chong</creatorcontrib><creatorcontrib>Li, Peng</creatorcontrib><creatorcontrib>Valentine, Stephen J.</creatorcontrib><title>Examining DNA structures with in-droplet hydrogen/deuterium exchange mass spectrometry</title><title>International journal of mass spectrometry</title><addtitle>Int J Mass Spectrom</addtitle><description>Capillary vibrating sharp-edge spray ionization (cVSSI) combined with hydrogen/deuterium exchange-mass spectrometry (HDX-MS) has been utilized to characterize different solution-phase DNA conformers including DNA G-quadruplex topologies as well as triplex DNA and duplex DNA. In general, G-quadruplex DNA shows a wide range of protection of hydrogens extending from ∼12% to ∼21% deuterium incorporation. Additionally, the DNA sequences selected to represent parallel, antiparallel, and hybrid G-quadruplex topologies exhibit slight differences in deuterium uptake levels which appear to loosely relate to overall conformer stability. Notably, the exchange level for one of the hybrid sequence sub topologies of G-quadruplex DNA (24 TTG) is significantly different (compared with the others studied here) despite the DNA sequences being highly comparable. For the quadruplex-forming sequences, correlation analysis suggests protection of base hydrogens involved in tetrad hydrogen bonding. For duplex DNA ∼19% deuterium incorporation is observed while only ∼16% is observed for triplex DNA. This increased protection of hydrogens may be due to the added backbone scaffolding and Hoogsteen base pairing of the latter species. These experiments lay the groundwork for future studies aimed at determining the structural source of this protection as well as the applicability of the approach for ascertaining different oligonucleotide folds, co-existing conformations, and/or overall conformer flexibility.
[Display omitted]
•In-droplet HDX measurements for canonical and non-canonical DNA structures.•Distinguishing oligonucleotide structures with rapid HDX.•Distinguishing DNA conformer flexibility with rapid HDX.•Distinguishing globular and linear structures of DNA with in-droplet HDX.</description><issn>1387-3806</issn><issn>1873-2798</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNp9kDtPwzAUhS0EoqXwBxhQRpa0fiS2I7FUpTykChZgtVL7pnXVJMV2oP33uGphZLpn-M6R7ofQNcFDggkfrYZ2VfshxTQbEiIoIyeoT6RgKRWFPI2ZSZEyiXkPXXi_whgLlvNz1GNS5pkkvI8-ptuyto1tFsn9yzjxwXU6dA588m3DMrFNaly7WUNIlruYFtCMDHQBnO3qBLZ6WTYLSOrS-8RvQAfX1hDc7hKdVeXaw9XxDtD7w_Rt8pTOXh-fJ-NZqhkWIRW6wnyuKTZc5jSvKFRC5_Eho7OqqGRGqgwLQ4woDOhcxJAVmYCCMsYZydkA3R52N6797MAHVVuvYb0uG2g7rxjmnLFcyCyi9IBq13rvoFIbZ-vS7RTBau9TrdTep9r7VAefsXRz3O_mNZi_yq_ACNwdAIhffllwymsLjQZjXdShTGv_2_8BMeyHSg</recordid><startdate>202405</startdate><enddate>202405</enddate><creator>Attanayake, Kushani</creator><creator>Mahmud, Sultan</creator><creator>Banerjee, Chandrima</creator><creator>Sharif, Daud</creator><creator>Rahman, Mohammad</creator><creator>Majuta, Sandra</creator><creator>DeBastiani, Anthony</creator><creator>Sultana, Mst Nigar</creator><creator>Foroushani, Samira Hajian</creator><creator>Li, Chong</creator><creator>Li, Peng</creator><creator>Valentine, Stephen J.</creator><general>Elsevier B.V</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-4360-2928</orcidid></search><sort><creationdate>202405</creationdate><title>Examining DNA structures with in-droplet hydrogen/deuterium exchange mass spectrometry</title><author>Attanayake, Kushani ; Mahmud, Sultan ; Banerjee, Chandrima ; Sharif, Daud ; Rahman, Mohammad ; Majuta, Sandra ; DeBastiani, Anthony ; Sultana, Mst Nigar ; Foroushani, Samira Hajian ; Li, Chong ; Li, Peng ; Valentine, Stephen J.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c307t-7cf06bc20d68525f2ef7c5202dc4f9f841f407d1d79dec571d74947e923363153</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Attanayake, Kushani</creatorcontrib><creatorcontrib>Mahmud, Sultan</creatorcontrib><creatorcontrib>Banerjee, Chandrima</creatorcontrib><creatorcontrib>Sharif, Daud</creatorcontrib><creatorcontrib>Rahman, Mohammad</creatorcontrib><creatorcontrib>Majuta, Sandra</creatorcontrib><creatorcontrib>DeBastiani, Anthony</creatorcontrib><creatorcontrib>Sultana, Mst Nigar</creatorcontrib><creatorcontrib>Foroushani, Samira Hajian</creatorcontrib><creatorcontrib>Li, Chong</creatorcontrib><creatorcontrib>Li, Peng</creatorcontrib><creatorcontrib>Valentine, Stephen J.</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>International journal of mass spectrometry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Attanayake, Kushani</au><au>Mahmud, Sultan</au><au>Banerjee, Chandrima</au><au>Sharif, Daud</au><au>Rahman, Mohammad</au><au>Majuta, Sandra</au><au>DeBastiani, Anthony</au><au>Sultana, Mst Nigar</au><au>Foroushani, Samira Hajian</au><au>Li, Chong</au><au>Li, Peng</au><au>Valentine, Stephen J.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Examining DNA structures with in-droplet hydrogen/deuterium exchange mass spectrometry</atitle><jtitle>International journal of mass spectrometry</jtitle><addtitle>Int J Mass Spectrom</addtitle><date>2024-05</date><risdate>2024</risdate><volume>499</volume><spage>117231</spage><pages>117231-</pages><artnum>117231</artnum><issn>1387-3806</issn><eissn>1873-2798</eissn><abstract>Capillary vibrating sharp-edge spray ionization (cVSSI) combined with hydrogen/deuterium exchange-mass spectrometry (HDX-MS) has been utilized to characterize different solution-phase DNA conformers including DNA G-quadruplex topologies as well as triplex DNA and duplex DNA. In general, G-quadruplex DNA shows a wide range of protection of hydrogens extending from ∼12% to ∼21% deuterium incorporation. Additionally, the DNA sequences selected to represent parallel, antiparallel, and hybrid G-quadruplex topologies exhibit slight differences in deuterium uptake levels which appear to loosely relate to overall conformer stability. Notably, the exchange level for one of the hybrid sequence sub topologies of G-quadruplex DNA (24 TTG) is significantly different (compared with the others studied here) despite the DNA sequences being highly comparable. For the quadruplex-forming sequences, correlation analysis suggests protection of base hydrogens involved in tetrad hydrogen bonding. For duplex DNA ∼19% deuterium incorporation is observed while only ∼16% is observed for triplex DNA. This increased protection of hydrogens may be due to the added backbone scaffolding and Hoogsteen base pairing of the latter species. These experiments lay the groundwork for future studies aimed at determining the structural source of this protection as well as the applicability of the approach for ascertaining different oligonucleotide folds, co-existing conformations, and/or overall conformer flexibility.
[Display omitted]
•In-droplet HDX measurements for canonical and non-canonical DNA structures.•Distinguishing oligonucleotide structures with rapid HDX.•Distinguishing DNA conformer flexibility with rapid HDX.•Distinguishing globular and linear structures of DNA with in-droplet HDX.</abstract><cop>Netherlands</cop><pub>Elsevier B.V</pub><pmid>38854816</pmid><doi>10.1016/j.ijms.2024.117231</doi><orcidid>https://orcid.org/0000-0003-4360-2928</orcidid></addata></record> |
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title | Examining DNA structures with in-droplet hydrogen/deuterium exchange mass spectrometry |
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