Free‐Energy Landscapes of Ion Movement through a G‐Quadruplex DNA Channel
Identifieur interne : 000807 ( Istex/Corpus ); précédent : 000806; suivant : 000808Free‐Energy Landscapes of Ion Movement through a G‐Quadruplex DNA Channel
Auteurs : Parisa Akhshi ; Parisa Mosey ; Parisa WuSource :
- Angewandte Chemie [ 0044-8249 ] ; 2012-03-19.
English descriptors
Abstract
Wie leicht bewegen sich Ionen durch DNA‐Kanäle? Freie‐Energie‐Hyperflächen für die Bewegung von Na+‐, K+‐ und NH4+‐Ionen durch Kanäle von G‐Quadruplex‐DNA wurden durch Moleküldynamiksimulationen erhalten. Die berechneten Ergebnisse sind in qualitativer Übereinstimmung mit den begrenzt verfügbaren experimentellen Daten: Große K+‐ und NH4+‐Ionen passen gerade so durch die G‐Quartetts, während Na+‐Ionen leicht hindurchschlüpfen.
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DOI: 10.1002/ange.201107700
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ISTEX:19D68B72B65EF0B53B63A56846FB2FBD4B987843Le document en format XML
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Chem.</title><idno type="ISSN">0044-8249</idno><idno type="eISSN">1521-3757</idno><imprint><publisher>WILEY‐VCH Verlag</publisher><pubPlace>Weinheim</pubPlace><date type="published" when="2012-03-19">2012-03-19</date><biblScope unit="volume">124</biblScope><biblScope unit="issue">12</biblScope><biblScope unit="page" from="2904">2904</biblScope><biblScope unit="page" to="2908">2908</biblScope></imprint><idno type="ISSN">0044-8249</idno></series><idno type="istex">19D68B72B65EF0B53B63A56846FB2FBD4B987843</idno><idno type="DOI">10.1002/ange.201107700</idno><idno type="ArticleID">ANGE201107700</idno></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0044-8249</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Adaptive Kräfte</term><term>DNA‐Strukturen</term><term>Ionentransport</term><term>Moleküldynamik</term></keywords></textClass><langUsage><language ident="en">en</language></langUsage></profileDesc></teiHeader><front><div type="abstract">Wie leicht bewegen sich Ionen durch DNA‐Kanäle? Freie‐Energie‐Hyperflächen für die Bewegung von Na+‐, K+‐ und NH4+‐Ionen durch Kanäle von G‐Quadruplex‐DNA wurden durch Moleküldynamiksimulationen erhalten. Die berechneten Ergebnisse sind in qualitativer Übereinstimmung mit den begrenzt verfügbaren experimentellen Daten: Große K+‐ und NH4+‐Ionen passen gerade so durch die G‐Quartetts, während Na+‐Ionen leicht hindurchschlüpfen.</div></front></TEI><istex><corpusName>wiley</corpusName><author><json:item><name>Parisa Akhshi</name><affiliations><json:string>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) http://www.chem.queensu.ca/people/faculty/Wu/</json:string></affiliations></json:item><json:item><name>Prof. Dr. Mosey</name><affiliations><json:string>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) http://www.chem.queensu.ca/people/faculty/Wu/</json:string></affiliations></json:item><json:item><name>Prof. Dr. Wu</name><affiliations><json:string>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) http://www.chem.queensu.ca/people/faculty/Wu/</json:string><json:string>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada)</json:string></affiliations></json:item></author><subject><json:item><lang><json:string>eng</json:string></lang><value>Adaptive Kräfte</value></json:item><json:item><lang><json:string>eng</json:string></lang><value>DNA‐Strukturen</value></json:item><json:item><lang><json:string>eng</json:string></lang><value>Ionentransport</value></json:item><json:item><lang><json:string>eng</json:string></lang><value>Moleküldynamik</value></json:item></subject><articleId><json:string>ANGE201107700</json:string></articleId><language><json:string>eng</json:string></language><originalGenre><json:string>shortCommunication</json:string></originalGenre><abstract>Wie leicht bewegen sich Ionen durch DNA‐Kanäle? Freie‐Energie‐Hyperflächen für die Bewegung von Na+‐, K+‐ und NH4+‐Ionen durch Kanäle von G‐Quadruplex‐DNA wurden durch Moleküldynamiksimulationen erhalten. 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KGaA, Weinheim</p></availability><date>2012</date></publicationStmt><notesStmt><note type="content">*This work was supported by the Natural Sciences and Engineering Research Council (NSERC) of Canada. 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KGaA, Weinheim</copyright><eventGroup><event type="manuscriptReceived" date="2011-11-01"></event><event type="xmlConverted" agent="Converter:JWSART34_TO_WML3G version:3.1.9 mode:FullText" date="2012-11-27"></event><event type="publishedOnlineEarlyUnpaginated" date="2012-01-13"></event><event type="publishedOnlineFinalForm" date="2012-03-13"></event><event type="firstOnline" date="2012-01-13"></event><event type="xmlConverted" agent="Converter:WILEY_ML3G_TO_WILEY_ML3GV2 version:3.8.8" date="2014-01-03"></event><event type="xmlConverted" agent="Converter:WML3G_To_WML3G version:4.3.4 mode:FullText" date="2015-02-24"></event></eventGroup><numberingGroup><numbering type="pageFirst">2904</numbering><numbering type="pageLast">2908</numbering></numberingGroup><correspondenceTo>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) <url href="http://www.chem.queensu.ca/people/faculty/Wu/">http://www.chem.queensu.ca/people/faculty/Wu/</url></correspondenceTo><linkGroup><link type="toTypesetVersion" href="file:ANGE.ANGE201107700.pdf"></link></linkGroup></publicationMeta><contentMeta><countGroup><count type="figureTotal" number="4"></count><count type="tableTotal" number="0"></count><count type="referenceTotal" number="70"></count></countGroup><titleGroup><title type="main" xml:lang="en">Free‐Energy Landscapes of Ion Movement through a G‐Quadruplex DNA Channel<link href="#nss"></link></title></titleGroup><creators><creator xml:id="au1" creatorRole="author" affiliationRef="#aa"><personName><givenNames>Parisa</givenNames><familyName>Akhshi</familyName></personName></creator><creator xml:id="au2" creatorRole="author" affiliationRef="#aa"><personName><honorifics>Prof. Dr.</honorifics><givenNames>Nicholas J.</givenNames><familyName>Mosey</familyName></personName></creator><creator xml:id="au3" creatorRole="author" affiliationRef="#aa" corresponding="yes"><personName><honorifics>Prof. Dr.</honorifics><givenNames>Gang</givenNames><familyName>Wu</familyName></personName><contactDetails><email>gang.wu@chem.queensu.ca</email></contactDetails></creator></creators><affiliationGroup><affiliation xml:id="aa" countryCode="CA" type="organization"><unparsedAffiliation>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) <url href="http://www.chem.queensu.ca/people/faculty/Wu/">http://www.chem.queensu.ca/people/faculty/Wu/</url></unparsedAffiliation></affiliation></affiliationGroup><keywordGroup xml:lang="en" type="author"><keyword xml:id="kwd1">Adaptive Kräfte</keyword><keyword xml:id="kwd2">DNA‐Strukturen</keyword><keyword xml:id="kwd3">Ionentransport</keyword><keyword xml:id="kwd4">Moleküldynamik</keyword></keywordGroup><fundingInfo><fundingAgency>Natural Sciences and Engineering Research Council (NSERC) of Canada</fundingAgency></fundingInfo><supportingInformation><p>Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer‐reviewed, but not copy‐edited or typeset. They are made available as submitted by the authors. </p><supportingInfoItem><mediaResource alt="supporting information" href="urn-x:wiley:00448249:media:ange201107700:ange_201107700_sm_miscellaneous_information"></mediaResource><caption>miscellaneous_information</caption></supportingInfoItem></supportingInformation><abstractGroup><abstract type="graphical" xml:lang="de"><p><b>Wie leicht bewegen sich Ionen durch DNA‐Kanäle?</b> Freie‐Energie‐Hyperflächen für die Bewegung von Na<sup>+</sup>‐, K<sup>+</sup>‐ und NH<sub>4</sub><sup>+</sup>‐Ionen durch Kanäle von G‐Quadruplex‐DNA wurden durch Moleküldynamiksimulationen erhalten. Die berechneten Ergebnisse sind in qualitativer Übereinstimmung mit den begrenzt verfügbaren experimentellen Daten: Große K<sup>+</sup>‐ und NH<sub>4</sub><sup>+</sup>‐Ionen passen gerade so durch die G‐Quartetts, während Na<sup>+</sup>‐Ionen leicht hindurchschlüpfen.<blockFixed type="graphic"><mediaResourceGroup><mediaResource alt="image" eRights="yes" copyright="WILEY-VCH" href="urn:x-wiley:00448249:media:ANGE201107700:content"></mediaResource></mediaResourceGroup></blockFixed></p></abstract></abstractGroup></contentMeta><noteGroup><note xml:id="nss"><p>This work was supported by the Natural Sciences and Engineering Research Council (NSERC) of Canada. All MD simulations were performed on the SHARCNET.</p></note></noteGroup></header></component></istex:document></istex:metadataXml><mods version="3.6"><titleInfo lang="en"><title>Free‐Energy Landscapes of Ion Movement through a G‐Quadruplex DNA Channel</title></titleInfo><titleInfo type="alternative" contentType="CDATA" lang="en"><title>Free‐Energy Landscapes of Ion Movement through a G‐Quadruplex DNA Channel</title></titleInfo><name type="personal"><namePart type="given">Parisa</namePart><namePart type="family">Akhshi</namePart><affiliation>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) http://www.chem.queensu.ca/people/faculty/Wu/</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="termsOfAddress">Prof. Dr.</namePart><namePart type="family">Mosey</namePart><affiliation>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) http://www.chem.queensu.ca/people/faculty/Wu/</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="termsOfAddress">Prof. Dr.</namePart><namePart type="family">Wu</namePart><affiliation>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) http://www.chem.queensu.ca/people/faculty/Wu/</affiliation><affiliation>Department of Chemistry, Queen's University, Kingston, Ontario, K7L 3N6 (Canada) </affiliation><role><roleTerm type="text">author</roleTerm></role></name><typeOfResource>text</typeOfResource><genre type="brief-communication" displayLabel="shortCommunication"></genre><originInfo><publisher>WILEY‐VCH Verlag</publisher><place><placeTerm type="text">Weinheim</placeTerm></place><dateIssued encoding="w3cdtf">2012-03-19</dateIssued><dateCaptured encoding="w3cdtf">2011-11-01</dateCaptured><copyrightDate encoding="w3cdtf">2012</copyrightDate></originInfo><language><languageTerm type="code" authority="rfc3066">en</languageTerm><languageTerm type="code" authority="iso639-2b">eng</languageTerm></language><physicalDescription><internetMediaType>text/html</internetMediaType><extent unit="figures">4</extent><extent unit="references">70</extent></physicalDescription><abstract>Wie leicht bewegen sich Ionen durch DNA‐Kanäle? Freie‐Energie‐Hyperflächen für die Bewegung von Na+‐, K+‐ und NH4+‐Ionen durch Kanäle von G‐Quadruplex‐DNA wurden durch Moleküldynamiksimulationen erhalten. Die berechneten Ergebnisse sind in qualitativer Übereinstimmung mit den begrenzt verfügbaren experimentellen Daten: Große K+‐ und NH4+‐Ionen passen gerade so durch die G‐Quartetts, während Na+‐Ionen leicht hindurchschlüpfen.</abstract><note type="content">*This work was supported by the Natural Sciences and Engineering Research Council (NSERC) of Canada. All MD simulations were performed on the SHARCNET.</note><note type="funding">Natural Sciences and Engineering Research Council (NSERC) of Canada</note><subject lang="en"><genre>keywords</genre><topic>Adaptive Kräfte</topic><topic>DNA‐Strukturen</topic><topic>Ionentransport</topic><topic>Moleküldynamik</topic></subject><relatedItem type="host"><titleInfo><title>Angewandte Chemie</title></titleInfo><titleInfo type="abbreviated"><title>Angew. Chem.</title></titleInfo><genre type="journal">journal</genre><note type="content"> Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer‐reviewed, but not copy‐edited or typeset. 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