<?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>0120-2804</journal-id>
<journal-title><![CDATA[Revista Colombiana de Química]]></journal-title>
<abbrev-journal-title><![CDATA[Rev.Colomb.Quim.]]></abbrev-journal-title>
<issn>0120-2804</issn>
<publisher>
<publisher-name><![CDATA[Departamento de Química,  Universidad Nacional de Colombia.]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0120-28042020000200012</article-id>
<article-id pub-id-type="doi">10.15446/rev.colomb.quim.v49n2.84723</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Determination of structural properties in the adsorption of drugs on chitosan-hydrogels for type 2 diabetes by means of the PM6 method]]></article-title>
<article-title xml:lang="es"><![CDATA[Determinación de propiedades estructurales en la adsorción de fármacos en hidrogeles de quitosano para diabetes tipo 2 mediante el método PM6]]></article-title>
<article-title xml:lang="pt"><![CDATA[Determinação das propriedades estruturais en adsorção de drogas em hidrogelos de quitosan para diabetes do tipo 2 pelo método PM6]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Delgadillo-Armendariz]]></surname>
<given-names><![CDATA[Nancy Liliana]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Rangel-Vázquez]]></surname>
<given-names><![CDATA[Norma Aurea]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Márquez-Brazón]]></surname>
<given-names><![CDATA[Edgar Alexander]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Departamento de Posgrado e Investigación  ]]></institution>
<addr-line><![CDATA[Aguascalientes ]]></addr-line>
<country>México</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Universidad del Norte Departamento de Química y Biología ]]></institution>
<addr-line><![CDATA[Barranquilla ]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>08</month>
<year>2020</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>08</month>
<year>2020</year>
</pub-date>
<volume>49</volume>
<numero>2</numero>
<fpage>12</fpage>
<lpage>17</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0120-28042020000200012&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0120-28042020000200012&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0120-28042020000200012&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Computational chemistry performs the modeling and calculation of physicochemical properties that allow understanding of the different molecular interactions at the nanometric scale in medical applications such as the design of controlled release systems. The PM6 model was used to analyze metformin and glibenclamide. First, the energy properties as the Gibbs free energy and enthalpies were obtained. The results showed the affinity of both drugs with water (glibenclamide: -7.96 and metformin: -11.49) due to the formation of hydrogen bonds, which were verified by the electronegativities corresponding to the dipole moment and to the partition coefficient (Log P). Subsequently, the main properties for the design of a release system using the metformin/glibenclamide complex in the chitosan hydrogel were determined. In this process it was appreciated that the Gibbs free energy (-2157.60 kcal/ mol) determined the thermodynamic stability of the adsorption. In addition, the Log P (-25.82) indicated an instantaneous solubility through the formation of hydrogen bonds and were verified by the electronic distribution and the change in dipole moment.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen La química computacional realiza el modelado y el cálculo de propiedades fisicoquímicas que permiten comprender las diferentes interacciones moleculares a escala nanométrica en aplicaciones médicas como el diseño de sistemas de liberación controlada, por ejemplo. El modelo PM6 se utilizó para analizar metformina y glibenclamida. Primero se obtuvieron las propiedades energéticas como la energía libre de Gibbs y las entalpias. Los resultados mostraron la afinidad de ambos fármacos con el agua (glibenclamide: -7,96 y metformina: -11,49) debido a la formación de enlaces de hidrógeno que fueron verificados por las electronegatividades correspondientes al momento dipolar y al coeficiente de partición (Log P). Posteriormente, se determinaron las principales propiedades para el diseño de un sistema de liberación que usa el complejo metformina/glibenclamida en el hidrogel de quitosano. En este proceso se apreció que la energía libre de Gibbs (-2157,60 kcal/mol) determinó la estabilidad termodinámica de la adsorción. Además, el Log P (-25,82) indicó una solubilidad instantánea a través de la formación de enlaces de hidrógeno y se verificó mediante la distribución electrónica y el cambio en el momento dipolar.]]></p></abstract>
<abstract abstract-type="short" xml:lang="pt"><p><![CDATA[Resumo A química computacional realiza a modelagem e o cálculo das propriedades físico-químicas que permitem compreender as diferentes interações moleculares em escala nanométrica em aplicações médicas, como o projeto de sistemas de liberação controlada. O modelo PM6 é usado para analisar metformina e glibenclamida. Primeiro, obtenha as propriedades energéticas como a energia livre de Gibbs e as entalpias. Os resultados mostram a afinidade de ambos os componentes com água (glibenclamida: -7.96 e forma: -11.49) debitados na forma de ligações de hidrogénio, que verificam por eletronegatividades correspondentes no momento dipolar e coeficiente de participação (Log P). Posteriormente, selecione as principais propriedades para o projeto de um sistema de liberação que usa o método completo/glibenclamida no hidrogel de quitosano. Neste processo, aprecie a energia livre de Gibbs (-2157.60 kcal/mol) que determina a estabilidade termodinâmica da adsorção. Além disso, o Log P (-25.82) indica uma solução instantânea para a passagem de forma de hidrogénio e é verificada usando a distribuição eletrônica e o câmbio no momento dipolar.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Adsorption]]></kwd>
<kwd lng="en"><![CDATA[diabetes]]></kwd>
<kwd lng="en"><![CDATA[hydrogels]]></kwd>
<kwd lng="en"><![CDATA[glibenclamide]]></kwd>
<kwd lng="en"><![CDATA[metformin]]></kwd>
<kwd lng="es"><![CDATA[adsorción]]></kwd>
<kwd lng="es"><![CDATA[diabetes]]></kwd>
<kwd lng="es"><![CDATA[hidrogeles]]></kwd>
<kwd lng="es"><![CDATA[glibenclamida]]></kwd>
<kwd lng="es"><![CDATA[metformina]]></kwd>
<kwd lng="pt"><![CDATA[adsorption]]></kwd>
<kwd lng="pt"><![CDATA[diabetes]]></kwd>
<kwd lng="pt"><![CDATA[hydrogels]]></kwd>
<kwd lng="pt"><![CDATA[glibenclamide]]></kwd>
<kwd lng="pt"><![CDATA[metformin]]></kwd>
</kwd-group>
</article-meta>
</front><back>
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