Dual-emission CdTe/AgInS2 photoluminescence probe coupled to neural network data processing for the simultaneous determination of folic acid and iron (II),Analytica Chimica Acta

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Dual-emission CdTe/AgInS2 photoluminescence probe coupled to neural network data processing for the simultaneous determination of folic acid and iron (II)
Analytica Chimica Acta ( IF 5.7 ) Pub Date : 2020-06-01 , DOI: 10.1016/j.aca.2020.04.007
Rafael C Castro ₁ , David S M Ribeiro ₁ , Ricardo N M J Páscoa ₁ , José X Soares ₁ , Sarmento J Mazivila ₁ , João L M Santos ₁

Affiliation

This work focused on the combination of CdTe and AgInS2 quantum dots in a dual-emission nanoprobe for the simultaneous determination of folic acid and Fe(II) in pharmaceutical formulations. The surface chemistry of the used QDs was amended with suitable capping ligands to obtain appropriate reactivity in terms of selectivity and sensitivity towards the target analytes. The implementation of PL-based sensing schemes combining multiple QDs of different nature, excited at the same wavelength and emitting at different ones, allowed to obtain a specific analyte-response profile. The first-order fluorescence data obtained from the whole emission spectra of the CdTe/AgInS2 combined nanoprobe upon interaction with folic acid and Fe(II) were processed by using chemometric tools, namely partial least-squares (PLS) and artificial neural network (ANN). This enabled to circumvent the selectivity issues commonly associated with the use of QDs prone to indiscriminate interaction with multiple species, which impair reliable and accurate quantification in complex matrices samples. ANN demonstrated to be the most efficient chemometric model for the simultaneous determination of both analytes in binary mixtures and pharmaceutical formulations due to the non-linear relationship between analyte concentration and fluorescence data that it could handle. The R2P and SEP% obtained for both analytes quantification in pharmaceutical formulations through ANN modelling ranged from 0.92 to 0.99 and 5.7-9.1%, respectively. The obtained results revealed that the developed approach is able to quantify, with high reliability and accuracy, more than one analyte in complex mixtures and real samples with pharmaceutical interest.

中文翻译：

双发射 CdTe/AgInS2 光致发光探针与神经网络数据处理耦合，用于同时测定叶酸和铁 (II)

这项工作的重点是 CdTe 和 AgInS2 量子点在双发射纳米探针中的组合，用于同时测定药物制剂中的叶酸和 Fe(II)。使用合适的封端配体修改所用 QD 的表面化学，以获得对目标分析物的选择性和灵敏度方面的适当反应性。基于 PL 的传感方案的实施结合了多个不同性质的 QD，以相同的波长激发并以不同的波长发射，可以获得特定的分析物响应曲线。通过使用化学计量学工具，即偏最小二乘法 (PLS) 和人工神经网络 (ANN) 处理从 CdTe/AgInS2 组合纳米探针与叶酸和 Fe(II) 相互作用时的整个发射光谱获得的一阶荧光数据）。这能够规避通常与使用 QD 相关的选择性问题，容易与多种物质不加区分地相互作用，这会损害复杂基质样品中可靠和准确的定量。由于 ANN 可以处理分析物浓度和荧光数据之间的非线性关系，因此 ANN 被证明是同时测定二元混合物和药物制剂中分析物的最有效化学计量模型。通过 ANN 建模对药物制剂中的两种分析物进行定量所获得的 R2P 和 SEP% 分别为 0.92 至 0.99 和 5.7-9.1%。获得的结果表明，所开发的方法能够以高可靠性和准确性量化，

更新日期：2020-06-01

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