Gros Nataša
Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna Pot 113, SI-1000 Ljubljana, Slovenia.
Molecules. 2024 Oct 15;29(20):4882. doi: 10.3390/molecules29204882.
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.
我们开发了基于LabVIEW的虚拟仪器(VIs),以弥补商业软件的不足,并开展系统的峰重叠研究,从而识别浓度水平,以便可靠地同时测定浓度比例范围宽的样品中的主要成分和次要成分。这些虚拟仪器应用于一个案例研究,该研究采用IonPac CS12A柱和50 μL进样环,通过离子色谱法测定作为次要离子的钾和作为主要离子的钠。基于多级双因素响应面实验设计的两项连续研究,(1)基于单离子进样的模型峰重叠研究,以及(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,使钠的质量浓度设定为340 mg/L,在钠与钾浓度比在14至341之间的样品中,可以同时测定钾在钠存在下的含量。与钾离子测定相关的相对扩展不确定度在0.52%至4.4%之间,相对偏差在-3.8%至1.9%之间。我们分析了林格氏生理溶液、标准海水、柠檬酸钠抗凝剂和柠檬酸缓冲抗凝剂溶液。我们证实,基于虚拟仪器的峰重叠研究通过基于证据选择经稀释调整的浓度水平,有助于提高结果质量。