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Molecules 2018, 23(12), 3072;

Direct Determination of Ni2+-Capacity of IMAC Materials Using Near-Infrared Spectroscopy

Institute of Analytical Chemistry and Radiochemistry, CCB-Center for Chemistry and Biomedicine, Innrain 80/82, 6020 Innsbruck, Austria
ADSI—Austrian Drug Screening Institute, Innrain 66a, 6020 Innsbruck, Austria
Author to whom correspondence should be addressed.
Authors contributed equally to this work.
Academic Editors: Torsten Frosch and Gavino Sanna
Received: 5 September 2018 / Revised: 6 November 2018 / Accepted: 21 November 2018 / Published: 24 November 2018
PDF [1887 KB, uploaded 28 November 2018]


The present paper reports a new method for the quantification of the Ni2+-capacity of an immobilized metal affinity chromatography (IMAC) material using near-infrared spectroscopy (NIRS). Conventional analyses using UV absorption spectroscopy or atomic absorption spectrometry (AAS) need to dissolve the silica-based metal chelate sorbent as sample pretreatment. In the first step, those methods were validated on the basis of an ideal homogenous NiSO4-solution and unveiled that UV with an intermediate precision of 2.6% relative standard deviation (RSD) had an advantage over AAS with an intermediate precision of 6.5% RSD. Therefore, UV analysis was chosen as reference method for the newly established NIRS model which has the advantage of being able to measure the material directly in diffuse reflection mode. Partial least squares regression (PLSR) analysis was used as multivariate data analysis tool for quantification. The best PLSR result obtained was: coefficient of determination (R2) = 0.88, factor = 2, root mean square error of prediction (RMSEP) = 22 µmol/g (test-set validation) or 7.5% RSDPLSR. Validation of the Ni2+-capacity using UV absorption spectroscopy resulted in an intermediate precision of ±18 µmol/g or 5.0% RSD. Therefore, NIRS provides a fast alternative analysis method without the need of sample preparation. View Full-Text
Keywords: near-infrared spectroscopy; IMAC; partial least squares regression; Ni2+-capacity; method validation near-infrared spectroscopy; IMAC; partial least squares regression; Ni2+-capacity; method validation

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Kirchler, C.G.; Henn, R.; Modl, J.; Münzker, F.; Baumgartner, T.H.; Meischl, F.; Kehle, A.; Bonn, G.K.; Huck, C.W. Direct Determination of Ni2+-Capacity of IMAC Materials Using Near-Infrared Spectroscopy. Molecules 2018, 23, 3072.

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