Virtual Instruments for Peak-Overlapping Studies to Determine Low- and High-Concentration Components with Ion Chromatography: Potassium and Sodium.

IF 4.2 2区 化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
Nataša Gros
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Abstract

We developed the LabVIEW-based virtual instruments (VIs) to bridge a gap in commercial software and to enable systematic peak-overlapping studies to recognise the concentration levels enabling reliable simultaneous determination of major and minor constituents in samples with wide concentration proportions. The VIs were applied to a case study of the ion chromatographic determination of potassium as minor and sodium as a major ion with an IonPac CS12A column and 50 μL injection loop. Two successive studies based on multilevel two-factorial response surface experimental designs, (1) a model peak-overlapping study based on single-ion injections, and (2) an accuracy and precision study, provided guidelines for real sample analyses. By adjusting sample dilutions so that the sodium mass concentration was set to 340 mg/L, the simultaneous determination of potassium in the presence of sodium was possible in samples with sodium over potassium concentration ratios between 14 and 341. The relative expanded uncertainty associated with potassium ion determination was between 0.52 and 4.4%, and the relative bias was between -3.8 and 1.9%. We analysed Ringer's physiologic solutions, standard sea, trisodium citrate anticoagulant, and buffered citrate anticoagulant solutions. We confirmed that the VI-supported peak-overlapping studies contributed to the quality of results by enabling the evidence-based choices of concentration levels adjusted by a dilution.

利用离子色谱法测定低浓度和高浓度成分的峰重叠研究虚拟仪器:钾和钠
我们开发了基于 LabVIEW 的虚拟仪器 (VI),以弥补商业软件的不足,并通过系统的峰重叠研究来识别浓度水平,从而可靠地同时测定浓度比例较大的样品中的主要成分和次要成分。将 VIs 应用于一个案例研究,即使用 IonPac CS12A 色谱柱和 50 μL 进样环对作为次要离子的钾和作为主要离子的钠进行离子色谱测定。基于多层次双因子响应面实验设计的两项连续研究:(1)基于单离子注入的模型峰重叠研究;(2)准确度和精密度研究,为实际样品分析提供了指导。通过调整样品稀释度,将钠的质量浓度设定为 340 毫克/升,可以在钠与钾的浓度比为 14 至 341 之间的样品中同时测定存在钠的钾。与钾离子测定相关的相对扩大不确定性介于 0.52% 与 4.4% 之间,相对偏差介于 -3.8% 与 1.9% 之间。我们分析了林格生理溶液、标准海、柠檬酸三钠抗凝剂和缓冲柠檬酸抗凝剂溶液。我们证实,VI 支持的峰值重叠研究有助于通过稀释调整浓度水平,从而提高结果的质量。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Molecules
Molecules 化学-有机化学
CiteScore
7.40
自引率
8.70%
发文量
7524
审稿时长
1.4 months
期刊介绍: Molecules (ISSN 1420-3049, CODEN: MOLEFW) is an open access journal of synthetic organic chemistry and natural product chemistry. All articles are peer-reviewed and published continously upon acceptance. Molecules is published by MDPI, Basel, Switzerland. Our aim is to encourage chemists to publish as much as possible their experimental detail, particularly synthetic procedures and characterization information. There is no restriction on the length of the experimental section. In addition, availability of compound samples is published and considered as important information. Authors are encouraged to register or deposit their chemical samples through the non-profit international organization Molecular Diversity Preservation International (MDPI). Molecules has been launched in 1996 to preserve and exploit molecular diversity of both, chemical information and chemical substances.
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