<?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>S1870-249X2018000200358</article-id>
<article-id pub-id-type="doi">10.29356/jmcs.v62i2.413</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Molecular Modeling and Chiral Separation of Benzodiazepines by Capillary Electrophoresis Using Highly Sulfated Cyclodextrins]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vargas-Martínez]]></surname>
<given-names><![CDATA[María Gabriela]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ramírez-Galicia]]></surname>
<given-names><![CDATA[Guillermo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,National Autonomous University of Mexico Faculty of Advanced Studies-Cuautitlan ]]></institution>
<addr-line><![CDATA[ ]]></addr-line>
<country>Mexico</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,University of Papaloapan Institute of Applied Chemistry ]]></institution>
<addr-line><![CDATA[ Oaxaca]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>06</month>
<year>2018</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>06</month>
<year>2018</year>
</pub-date>
<volume>62</volume>
<numero>2</numero>
<fpage>358</fpage>
<lpage>370</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S1870-249X2018000200358&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S1870-249X2018000200358&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S1870-249X2018000200358&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract: A capillary electrophoretic method for the chiral separation of the 3-chiral-1,4-benzodiazepines was developed. Enantiomeric resolution of oxazepam, lorazepam, temazepam, and lormetazepam was achieved using sulfated cyclodextrins (CD's) as chiral selectors. A 3-levels, 4-factors fractional factorial (34-2) design was applied to test 3 different CD's: heptakis-6-sulfato-&#946;-cyclodextrin (HS&#946;CD), heptakis-(2,3-diacetyl-6-sulfato)-&#946;-cyclodextrin (HDAS&#946;CD), and heptakis-(2,3-dimethyl-6-sulfato)-&#946;-cyclodextrin (HDMS&#946;CD). The CD type, its concentration, the pH of the electrolyte, and % organic modifier were tested as the factors in the experimental design. The highest resolution values were obtained using a 20 mM borate buffer, pH 9.0 with the addition of 5 % HS&#946;CD and 15 % methanol as an organic modifier. At these separation conditions, the equilibrium constants of the benzodiazepine-HS&#946;CD complex formation were calculated. A theoretical study of the interaction benzodiazepine-HS&#946;CD complex using semiempirical calculations is postulated.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen: Se desarrolló un método para la separación quiral de las 3-quiral-1,4-benzodiazepinas por electroforesis capilar. La resolución enantiomérica de oxazepam, lorazepam, temazepam y lormetazepam se logró utilizando ciclodextrinas sulfatadas (CD's) como selectores quirales. Se aplicó un diseño factorial fraccionado de 3 niveles y 4 factores (34-2) para evaluar 3 CD diferentes: heptakis-6-sulfato-&#946;-ciclodextrina (HS&#946;CD), heptakis-(2,3-diacetil-6-sulfato)-&#946;-ciclodextrina (HDAS&#946;CD), y heptakis- (2,3-dimetil-6-sulfato)-&#946;-ciclodextrina (HDMS&#946;CD). El tipo de CD, su concentración, el pH del electrolito y el % de modificador orgánico se probaron como los factores en el diseño experimental. Los valores de resolución más altos se obtuvieron usando un buffer de boratos 20 mM, pH 9,0 con la adición de 5% de HS&#946;CD y 15% de metanol como modificador orgánico. A estas condiciones de separación, se calcularon las constantes de equilibrio de la formación del complejo de benzodiazepina-HS&#946;CD. Se postula un estudio teórico de la interacción del complejo benzodiazepina-HS&#946;CD mediante cálculos semiempíricos.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Chiral Separation]]></kwd>
<kwd lng="en"><![CDATA[Benzodiazepines]]></kwd>
<kwd lng="en"><![CDATA[Sulfated Cyclodextrins]]></kwd>
<kwd lng="en"><![CDATA[Molecular Modeling]]></kwd>
<kwd lng="es"><![CDATA[Separación quiral]]></kwd>
<kwd lng="es"><![CDATA[Benzodiazepinas]]></kwd>
<kwd lng="es"><![CDATA[Ciclodextrinas sulfatadas]]></kwd>
<kwd lng="es"><![CDATA[Modelado Molecular]]></kwd>
</kwd-group>
</article-meta>
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