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<field name="value">Herrero Gutiérrez, Ana</field>
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<field name="confidence">500</field>
<field name="orcid_id">0000-0001-6126-1907</field>
<field name="value">Sanllorente Méndez, Silvia</field>
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<field name="orcid_id">0000-0001-8693-8806</field>
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<field name="value">Martín Tapia, Eva</field>
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<field name="value">Universidad de Burgos. Departamento de Química</field>
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<field name="value">2018-10-24T10:55:24Z</field>
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<field name="value">2018-10-24T10:55:24Z</field>
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<element name="submitted">
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<field name="value">2018</field>
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<field name="value">Los ftalatos son compuestos utilizados como plastificantes; su presencia está regulada, sin embargo, el diisobutil ftalato (DiBP) aún no está sujeto a prohibición en la UE. Aquí, se aborda su determinación cuantitativa en líquidos mediante espectroscopia infrarroja con transformada de Fourier en el modo reflexión total atenuada (ATR-FTIR). Se utilizan la regresión de componentes principales (PCR) y por mínimos cuadrados parciales (PLS). &#xd;
Se estudia el análisis directo de DiBP en ciclohexano. Se evalúa qué efecto tienen usar ciclohexano o aire para registrar el espectro del fondo, el número de barridos que se registran, y el pretratamiento de los datos espectrales. Se calculan algunas figuras de mérito; encontrando capacidades de detección sobre 2.000-3.000 ppm ( =  = 0.05).&#xd;
Se incluye una etapa de preconcentración para incrementar la sensibilidad; se estudia la influencia del número de depósitos. Se alcanzan capacidades de detección de hasta 52 ppm ( =  = 0.05).</field>
<field name="value">Phthalates are a group of synthetic compounds widely used as plasticizers, mainly&#xd;
used to increase plastic flexibility, resistance and durability. These substances may be&#xd;
found in toys, cosmetics, plastic bottles, etc. Their presence in some fields is regulated&#xd;
to avoid risks to the health. Diisobutyl phthalate (DiBP) is among these phthalates,&#xd;
many of which are banned in toys, childcare articles or cosmetics; however, DiBP has&#xd;
so far not been subjected to EU ban.&#xd;
The determination of DiBP in liquid samples by means of attenuated total&#xd;
reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is approached in this&#xd;
work. Soft multivariate regression models, principal component regression (PCR) and&#xd;
partial least squares regression (PLS), are used for the quantitative analysis.&#xd;
The level of concentration for the direct analysis of DiBP in cyclohexane is studied.&#xd;
It is assessed what effect the use of cyclohexane or air to collect the background&#xd;
spectrum, the number of scans to be collected in the sample measurement, and the&#xd;
pretreatment of spectral data have on the analytical determination. Some figures of&#xd;
merit are calculated to establish the performance of the analytical method. Values of&#xd;
the capability of detection around 2.000-3.000 ppm are achieved (a = b = 0.05).&#xd;
A preconcentration step is included in the method in order to increase its sensitivity.&#xd;
The influence of the number of depositions on the performance of the analytical&#xd;
method is studied. Capabilities of detection down to 52 ppb are reached (a = b = 0.05).</field>
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<field name="value">Attribution-NonCommercial-NoDerivatives 4.0 International</field>
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<field name="value">Este documento está sujeto a una licencia de uso Creative Commons, por la cual está permitido hacer copia, distribuir y comunicar públicamente la obra siempre que se cite al autor original y no se haga de él uso comercial ni obra derivada</field>
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<field name="value">diisobutil ftalato</field>
<field name="value">ATR-FTIR</field>
<field name="value">análisis multivariante</field>
<field name="value">determinación cuantitativa</field>
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<field name="value">diisobutyl phthalate</field>
<field name="value">multivariate analysis</field>
<field name="value">quantitative determination</field>
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<field name="value">Química analítica</field>
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<field name="value">Chemistry, Analytic</field>
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<element name="title">
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<field name="value">Determinación cuantitativa de diisobutil ftalato en líquidos mediante ATR-FTIR: estudio inicial</field>
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