<?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>S0120-28042021000300024</article-id>
<article-id pub-id-type="doi">10.15446/rev.colomb.quirn.v50n3.98674</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Evaluation of emeralds by their origin: Multivariate analysis - Infrared spectra]]></article-title>
<article-title xml:lang="es"><![CDATA[Evaluación de esmeraldas por su origen: análisis multivariado-espectro infrarrojo]]></article-title>
<article-title xml:lang="pt"><![CDATA[Valiação de esmeraldas por sua origem: Análise multivariada - Espectro infravermelho]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Ruiz]]></surname>
<given-names><![CDATA[Valentina González]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Toloza]]></surname>
<given-names><![CDATA[Javier García]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Bastidas]]></surname>
<given-names><![CDATA[Jesús Alberto Ágreda]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Serna]]></surname>
<given-names><![CDATA[Elianna Castillo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad Nacional de Colombia Departamento de Química ]]></institution>
<addr-line><![CDATA[Bogotá ]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Technological Development Center for the Colombian Emerald  ]]></institution>
<addr-line><![CDATA[Bogotá ]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2021</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2021</year>
</pub-date>
<volume>50</volume>
<numero>3</numero>
<fpage>24</fpage>
<lpage>31</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_arttext&amp;pid=S0120-28042021000300024&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_abstract&amp;pid=S0120-28042021000300024&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.co/scielo.php?script=sci_pdf&amp;pid=S0120-28042021000300024&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Colombian emeralds, 26 from Palo Arañado (eastern emerald zone, Chivor district, Boyacá, Colombia), and 28 from Santo Domingo - La Pava mine (western emerald zone, Muzo district, Boyacá, Colombia), together with 30 from Kafubu - Zambia, were studied by reflectance Fourier transform infrared spectroscopy, principal component analysis, clustering, and partial least squares -discriminant analysis, in order to differentiate them by geographical origin. The spectra were smoothed and a baseline correction was made. The principal component analysis showed that the wavenumbers 2,474; 2,640; 2,686; 2,818; 5,448, and 6,815 cm-' are the most significant in the first principal component and the most valuable in separating the emeralds by their geographical origin. This allowed us to completely discriminate emeralds from Santo Domingo and Zambia, while only five emeralds from Palo Arañado were '00 % differentiable from the other two groups of emeralds.]]></p></abstract>
<abstract abstract-type="short" xml:lang="es"><p><![CDATA[Resumen Se estudiaron (usando espectroscopia de reflectancia infrarroja con transformada de Fourier, análisis de componentes principales, agrupamientos y análisis discriminante por mínimos cuadrados parciales), 54 esmeraldas colombianas, 26 provenientes de Palo Arañado (zona esmeraldífera oriental, distrito de Chivor, Boyacá, Colombia), y 28 de Santo Domingo (mina La Pava, zona esmeraldífera occidental, distrito de Muzo, Boyacá, Colombia), junto a 30 esmeraldas de Kafubu (Zambia), con el fin de diferenciarlas por su origen geográfico. Los espectros fueron suavizados y se corrigió su línea base. El análisis de componentes principales permitió identificar que los números de onda 2474, 2640, 2686, 2818, 5448 y 68'5 cm-' son los de mayor contribución al primer componente principal y, por tanto, los más relevantes en la separación de los grupos de esmeraldas por su origen geográfico. Lo anterior hizo posible la discriminación completa entre las esmeraldas de Zambia y las de Santo Domingo, mientras que solo 5 muestras de Palo Arañado resultaron '00 % diferenciables de los otros dos grupos de esmeraldas estudiadas.]]></p></abstract>
<abstract abstract-type="short" xml:lang="pt"><p><![CDATA[Resumo Um total de 54 esmeraldas colombianas, 26 originarias de Palo Arañado (região esmeraldífera oriental, distrito de Chivor, Boyacá, Colombia) e 28 de Santo Domingo, da mina La Pava (região esmeraldífera ocidental, distrito Muzo, Boyacá, Colombia), junto com 30 esmeraldas da Zâmbia (da região de Kafubu) foram estudadas para obter uma diferenciação por sua origem geográfica, usando espectroscopia de infravermelho por transformada de Fourier, análise de componentes principais, e agrupamento e análise discriminante de mínimos quadrados. Os espetros foram suavizados e a sua linha base foi corregida. A analise de componentes principais, permitiu identificar que os números de onda 2474, 2640, 2686, 2818, 5448 y 68'5 cm-' são os que mais contribuem ao primeiro componente principal e, por tanto, os mais importantes na separação dos grupos de esmeraldas por sua origem geográfica. Isto permitiu a completa discriminação entre as esmeraldas da Zâmbia e as de Santo Domingo, enquanto que apenas cinco amostras de Palo Arañado foram '00 % diferenciáveis dos outros dois grupos de esmeraldas estudadas.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Emeralds]]></kwd>
<kwd lng="en"><![CDATA[geographical origin]]></kwd>
<kwd lng="en"><![CDATA[principal component analysis]]></kwd>
<kwd lng="en"><![CDATA[clustering]]></kwd>
<kwd lng="en"><![CDATA[partial least squares - discriminant analysis]]></kwd>
<kwd lng="es"><![CDATA[esmeraldas]]></kwd>
<kwd lng="es"><![CDATA[origen geográfico]]></kwd>
<kwd lng="es"><![CDATA[análisis de componentes principales]]></kwd>
<kwd lng="es"><![CDATA[agrupamientos]]></kwd>
<kwd lng="es"><![CDATA[análisis discriminante-mínimos cuadrados parciales]]></kwd>
<kwd lng="pt"><![CDATA[Esmeraldas]]></kwd>
<kwd lng="pt"><![CDATA[origem geográfica]]></kwd>
<kwd lng="pt"><![CDATA[análise de componentes principais]]></kwd>
<kwd lng="pt"><![CDATA[agrupamentos]]></kwd>
<kwd lng="pt"><![CDATA[análise discriminante-mínimos quadrados parciais]]></kwd>
</kwd-group>
</article-meta>
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