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.
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http://dx.doi.org/10.3390/molecules29204882 | DOI Listing |
Molecules
October 2024
Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna Pot 113, SI-1000 Ljubljana, Slovenia.
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.
View Article and Find Full Text PDFbioRxiv
December 2023
Dept. of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, MI, USA.
Ultramicroscopy
August 2022
McGill Electron Microscopy Research Group, Department of Mining and Materials Engineering, McGill University, Wong Building, 3610 University Street, Montréal, Québec H3A 0C5, Canada.
Generating quantitative phase maps is unvaluable to access the phase distribution in a material. X-ray hyperspectral mapping using an energy dispersive spectrometer (EDS) attached to a scanning electron microscope (SEM) is the most practical way to collect these data, mainly due to its relatively ease of operation and availability around the world. In this work, we demonstrate an innovative technique to produce high-quality phase maps based on the correlation between each hyperspectral image pixel spectrum and a set of standards spectra.
View Article and Find Full Text PDFAppl Spectrosc
May 2022
Key Laboratory of Advanced Process Control for Light Industry (Ministry of Education), 66374Jiangnan University, Wuxi, Jiangsu, China.
Due to the advantages of low price and convenience for end-users to conduct field-based, in-situ analysis, handheld Raman spectrometers are widely used in the identification of mixture components. However, the spectra collected by handheld Raman spectrometer usually have serious peak overlapping and spectral distortion, resulting in difficulties in component identification in the mixture. A novel method for mixture components identification based on the handheld Raman spectrometer was proposed in this study.
View Article and Find Full Text PDFSe Pu
June 2021
School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China.
The detection and analysis of spectral peaks play an important role in research on chromatography technology. However, in the process of collecting and transmitting chromatographic data, it is very difficult to detect spectral peaks owing to the interference of different levels of noise. Most of the traditional spectral peak detection algorithms follow three steps: spectral smoothing, baseline correction, and spectral peak recognition, which require high denoising and curve smoothing, and therefore increase the complexity of the algorithm.
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