Rapid NMR determination of inorganic cations in food matrices: Application to mineral water

Monakhova, Yulia B.; Kuballa, Thomas; Tschiersch, Christopher; Diehl, Bernd

doi:10.1016/j.foodchem.2016.10.095

Cited by 14 publications

(12 citation statements)

References 18 publications

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“…58% of the analyses showed a lower difference of the nominal and measured value of 3 %, 21% differed by 1%. All differences were observed with less than 9% deviation, which are comparable to those presented by Monakhova et al …”

Section: Resultssupporting

confidence: 91%

“…Using the sample preparation conditions outlined in Section 2.2.3, limit of quantifications (LOQs) were found to be between 5 and 22 μg/ml. These values were higher than the LOQ values obtained by another NMR method that was developed to quantify cations in mineral water with LOQs of 1.39 mg/L for Ca 2+ and 0.87 mg/L for Mg 2+ and by flame atomic absorption spectrometry and ion chromatography . However, to achieve a lower LOQ, several options are possible.…”

Section: Resultsmentioning

confidence: 68%

“…The regression coefficients of the calibration curves were between 0.9979 and 1 for Ca 2+ , Mg 2+ , Hg 2+ , Sn 2+ , Pb 2+ , and Zn 2+ . However, as presented by Monakhova et al, the linearity range of Ca 2+ and Mg 2+ was determined up to 500 mg/L, as long as EDTA is present in an excess . Comparable values were obtained for nominal and measured concentrations, as shown in Table .…”

Section: Resultsmentioning

confidence: 75%

“…Inorganic metal cations are essential for human health and can be found in numerous foods such as fruits and vegetables, mineral water, edible oils, and honey but also in high concentrations in food supplements and in pharmaceutical products for treating heartburn and stomach ailments . Conversely, some metal ions have a negative impact on human health, for example, cadmium, mercury, and lead.…”

Section: Introductionmentioning

confidence: 99%

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Qualitative and quantitative ¹H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Hafer

Holzgrabe

Kraus³

et al. 2020

Magnetic Reson in Chemistry

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This paper introduces an 1H NMR method to identify individual divalent metal cations Be2+, Mg2+, Ca2+, Sr2+, Zn2+, Cd2+, Hg2+, Sn2+, and Pb2+ in aqueous salt solutions through their unique signal shift and coupling after complexation with the salt of ethylenediaminetetraacetic acid (EDTA). Furthermore, quantitative determination applied for the divalent metal cations Ca2+, Mg2+, Hg2+, Sn2+, Pb2+, and Zn2+ (limit of quantification: 5–22 μg/ml) can be achieved using an excess of EDTA with aqueous model salt solutions. An internal standard is not required because a known excess of EDTA is added and the remaining free EDTA can be used to recalculate the quantity of chelated metal cations. The utility of the method is demonstrated for the analysis of divalent cations in some food supplements and in pharmaceutical products.

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Section: Resultssupporting

confidence: 91%

Section: Resultsmentioning

confidence: 68%

Section: Resultsmentioning

confidence: 75%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Qualitative and quantitative ¹H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Hafer

Holzgrabe

Kraus³

et al. 2020

Magnetic Reson in Chemistry

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show abstract

“…Because of the complexity of analyzed matrices (e.g., biofluid or tissue extracts), resonance overlap can significantly obscure defining integral regions in qNMR. It is advisable to use mathematical methods called spectral line fitting or deconvolution in cases when two or more signals cannot be integrated individually . The idea of this approach is to fit a Lorentzian or Gaussian peak shape to partially overlapped resonances, resulting in a pure extracted spectrum that can be used for quantitative analysis …”

Section: Resultsmentioning

confidence: 99%

Practical guide for selection of ¹H qNMR acquisition and processing parameters confirmed by automated spectra evaluation

Monakhova

Diehl²

2017

Magnetic Reson in Chemistry

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In our recent paper, a new technique for automated spectra integration and quality control of the acquired results in qNMR was developed and validated (Monakhova & Diehl, Magn. Res. Chem. 2017, doi: 10.1002/mrc.4591). The present study is focused on the influence of acquisition and postacquisition parameters on the developed automated routine in particular, and on the quantitative NMR (qNMR) results in general, which has not been undertaken previously in a systematic and automated manner. Results are presented for a number of model mixtures and authentic pharmaceutical products measured on 500- and 600-MHz NMR spectrometers. The influence of the most important acquisition (spectral width, transmitter [frequency] offset, number of scans, and time domain) and processing (size of real spectrum, deconvolution, Gaussian window multiplication, and line broadening) parameters for qNMR was automatically investigated. Moderate modification of the majority of the investigated parameters from default instrument settings within evaluated ranges does not significantly affect the trueness and precision of the qNMR. Lite Gaussian window multiplication resulted in accuracy improvement of the qNMR output and is recommended for routine measurements. In general, given that the acquisition and processing parameters were selected based on the presented guidelines, automated qNMR analysis can be employed for reproducible high-precision concentration measurements in practice.

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Multicomponent analysis of dietary supplements containing glucosamine and chondroitin: comparative low- and high-field NMR spectroscopic study

Adels,

Elbers,

Diehl

et al. 2023

ANAL. SCI.

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With the prevalence of glucosamine- and chondroitin-containing dietary supplements for people with osteoarthritis in the marketplace, it is important to have an accurate and reproducible analytical method for the quantitation of these compounds in finished products. NMR spectroscopic method based both on low- (80 MHz) and high- (500–600 MHz) field NMR instrumentation was established, compared and validated for the determination of chondroitin sulfate and glucosamine in dietary supplements. The proposed method was applied for analysis of 20 different dietary supplements. In the majority of cases, quantification results obtained on the low-field NMR spectrometer are similar to those obtained with high-field 500–600 MHz NMR devices. Validation results in terms of accuracy, precision, reproducibility, limit of detection and recovery demonstrated that the developed method is fit for purpose for the marketed products. The NMR method was extended to the analysis of methylsulfonylmethane, adulterant maltodextrin, acetate and inorganic ions. Low-field NMR can be a quicker and cheaper alternative to more expensive high-field NMR measurements for quality control of the investigated dietary supplements. High-field NMR instrumentation can be more favorable for samples with complex composition due to better resolution, simultaneously giving the possibility of analysis of inorganic species such as potassium and chloride. Graphical abstract

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Rapid NMR determination of inorganic cations in food matrices: Application to mineral water

Cited by 14 publications

References 18 publications

Qualitative and quantitative ¹H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Qualitative and quantitative ¹H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Practical guide for selection of ¹H qNMR acquisition and processing parameters confirmed by automated spectra evaluation

Multicomponent analysis of dietary supplements containing glucosamine and chondroitin: comparative low- and high-field NMR spectroscopic study

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Rapid NMR determination of inorganic cations in food matrices: Application to mineral water

Cited by 14 publications

References 18 publications

Qualitative and quantitative 1H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Qualitative and quantitative 1H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Practical guide for selection of 1H qNMR acquisition and processing parameters confirmed by automated spectra evaluation

Multicomponent analysis of dietary supplements containing glucosamine and chondroitin: comparative low- and high-field NMR spectroscopic study

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Product

Resources

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Qualitative and quantitative ¹H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Qualitative and quantitative ¹H NMR spectroscopy for determination of divalent metal cation concentration in model salt solutions, food supplements, and pharmaceutical products by using EDTA as chelating agent

Practical guide for selection of ¹H qNMR acquisition and processing parameters confirmed by automated spectra evaluation