<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>1870-249X</journal-id>
<journal-title><![CDATA[Journal of the Mexican Chemical Society]]></journal-title>
<abbrev-journal-title><![CDATA[J. Mex. Chem. Soc]]></abbrev-journal-title>
<issn>1870-249X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Química de México A.C.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S1870-249X2017000300177</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[The Folded Conformation of Perezone Revisited. Long Range nOe Interaction in Small Molecules: Interpretable Small Signals or Useless Large Artifacts?]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Reyes-López]]></surname>
<given-names><![CDATA[Elizabeth]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Quiroz-García]]></surname>
<given-names><![CDATA[Beatriz]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Carpio-Martínez]]></surname>
<given-names><![CDATA[Pablo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Jiménez-Barbero]]></surname>
<given-names><![CDATA[Jesús]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cortés-Guzmán]]></surname>
<given-names><![CDATA[Fernando]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Esturau-Escofet]]></surname>
<given-names><![CDATA[Nuria]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Cuevas]]></surname>
<given-names><![CDATA[Gabriel]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional Autónoma de México Instituto de Química Departamento de Fisicoquímica]]></institution>
<addr-line><![CDATA[México City ]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,CIC bioGUNE Infectious Disease Program ]]></institution>
<addr-line><![CDATA[Derio ]]></addr-line>
<country>Spain</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,IKERBASQUE Basque Foundation for Science ]]></institution>
<addr-line><![CDATA[Bilbao ]]></addr-line>
<country>Spain</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>09</month>
<year>2017</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>09</month>
<year>2017</year>
</pub-date>
<volume>61</volume>
<numero>3</numero>
<fpage>177</fpage>
<lpage>185</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1870-249X2017000300177&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1870-249X2017000300177&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1870-249X2017000300177&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract. The nuclear Overhauser effect (nOe) is a consequence of the cross-relaxation and it involves the transfer of nuclear spin polarization from one population to another intra or inter-molecularly. It is generally accepted that a proton-proton distance between 4 and 5 Å is the upper limit for the occurrence of measurable nOe´s in small molecules. However, we herein show how detectable nOe´s may, in fact, take place between alkyl groups of quinones with substitutions at 1-4 relative positions, showing distances longer than 6 Å. Although the signals of interest are very small, of the order of 1% of a normal nOe, so a priori are considered artifacts originated by decoupling modulation, they maintain, properties that make them interesting and give them coherence as interpretable signals. If the signals of interest are not artifacts these observations represent an important breakthrough with impact on the standard protocols that are commonly used for determination of molecular structure and conformation.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen. El efecto Nuclear de Overhauser (nOe) es una consecuencia de la relajación cruzada, la cual implica la transferencia de polarización de un spin nuclear a otro, ya sea intra o intermolecularmente. Generalmente se acepta que el límite para su detección en moléculas pequeñas es aquel en el que los protones interactuantes se encuentran a una distancia entre 4 y 5 Å. Sin embargo, aquí mostramos, como estos nOe´s pueden existir entre grupos alquilo en posiciones 1-4 de quinonas sustituidas, a distancias mayores a 6Å. Si bien, las señales de interés son muy pequeñas, del orden del 1% de un nOe normal, por lo que a priori se les considera artefactos, originadas en &#8220;modulación de desacoplamiento&#8221; estas mantienen, extrañamente, propiedades que las hacen interesantes y les dan coherencia como señales interpretables. De no ser artefactos, estas observaciones representan un avance importante con impacto en los protocolos estándar comúnmente empleados para la determinación de la estructura y conformación molecular.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[NOE]]></kwd>
<kwd lng="en"><![CDATA[conformational analysis]]></kwd>
<kwd lng="en"><![CDATA[&#960;/&#960; interactions]]></kwd>
<kwd lng="en"><![CDATA[hydrodynamic radii]]></kwd>
<kwd lng="en"><![CDATA[NMR spectroscopy]]></kwd>
<kwd lng="es"><![CDATA[nOe]]></kwd>
<kwd lng="es"><![CDATA[análisis conformacional]]></kwd>
<kwd lng="es"><![CDATA[interacciones &#960;/&#960;]]></kwd>
<kwd lng="es"><![CDATA[radio hidrodinámico]]></kwd>
<kwd lng="es"><![CDATA[espectroscopía de RMN]]></kwd>
</kwd-group>
</article-meta>
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