Author: Cama-Moncunill, R.

Search results

1 articles found

Quantification of trace metals in infant formula premixes using laser-induced breakdown spectroscopy

Author: Cama-Moncunill, R. ; et. al.

Journal: Spectrochimica Acta Part B: Atomic Spectroscopy (2017)

DOI: 10.1016/j.sab.2017.06.014

Authors
Cama-Moncunill, X. ; Casado-Gavalda, M. P. ; Cullen, P. J. ; Dixit, Y. ; Markiewicz-Keszycka, M. ; Sullivan, C.

Keywords

LIBS; Trace-element premixes; Univariate analysis; Multivariate analysis; PLS;SPECTROCHEMICAL ANALYSIS; LIBS; ADULTERATION; COPPER; MILK; BEEF

Abstract

Infant formula is a human milk substitute generally based upon fortified cow milk components. In order to mimic the composition of breast milk, trace elements such as copper, iron and zinc are usually added in a single operation using a premix. The correct-addition of premixes must be verified to ensure that the target levels in infant formulae are achieved. In this study, a laser-induced breakdown spectroscopy (LIBS) system was assessed as a fast validation tool for trace element premixes. LIBS is a promising emission spectroscopic technique for elemental analysis, which offers real-time analyses, little to no sample preparation and ease of use. LIBS was employed for copper and iron determinations of premix samples ranging approximately from 0 to 120 mg/kg Cu/1640 mg/kg Fe. LIES spectra are affected by several parameters, hindering subsequent quantitative analyses. This work aimed at testing three matrix-matched calibration approaches (simple-linear regression, multi-linear regression and partial least squares regression (PLS)) as means for precision and accuracy enhancement of LIBS quantitative analysis. All calibration models were first developed using a training set and then validated with an independent test set. PLS yielded the best results. For instance, the PLS model for copper provided a coefficient of determination (R-2) of 0.995 and a root mean square error of prediction (RMSEP) of 14 mg/kg. Furthermore, LIBS was employed to penetrate through the samples by repetitively measuring the same spot. Consequently, LIBS spectra can be obtained as a function of sample layers. This information was used to explore whether measuring deeper into the sample could reduce possible surface-contaminant effects and provide better quantifications. (C) 2017 Elsevier B.V. All rights reserved.

Area:

Industry ; Nutrition

Material:

Infant formula

Elements:

Lines [nm]:

Fe I 438.35 nm Fe II 259.94 nm Fe I 358.12 nm Fe I 373.49 nm Fe I 430.79 nm Fe I 432.58 nm

Lines [nm]:

N I 746.83 nm N I 818.49 nm N I 821.63 nm N I 868.03 nm

Lines [nm]:

O I 777.19 nm O I 777.19 nm O I 844.64 nm

Lines [nm]:

Ca I 422.67 nm Ca I 616.22 nm Ca II 393.37 nm

Lines [nm]:

Cu I 324.75 nm Cu I 327.40 nm

...

Emmision lines:
C I 247.86 nm
Fe II 259.94 nm
Cu I 324.75 nm
Cu I 327.40 nm
Fe I 358.12 nm
Fe I 373.49 nm
Ca II 393.37 nm
Ca I 422.67 nm
Fe I 430.79 nm
Fe I 432.58 nm
Fe I 438.35 nm
Na I 589.00 nm
Ca I 616.22 nm
H I 656.27 nm
N I 746.83 nm
K I 766.49 nm
O I 777.19 nm
O I 777.19 nm
N I 818.49 nm
N I 821.63 nm
O I 844.64 nm
N I 868.03 nm

Co-author: Cama-Moncunill, R.

Search results

6 articles found

Laser-induced breakdown spectroscopy (LIBS) for rapid analysis of ash, potassium and magnesium in gluten free flours

Author: Markiewicz-Keszycka, M. ; et. al.

Journal: Food Chemistry (2018)

Applications Chemometrics

DOI: 10.1016/j.foodchem.2017.10.063

Authors
Cama-Moncunill, R. ; Cama-Moncunill, X. ; Casado-Gavalda, M. P. ; Cullen, P. J. ; Dixit, Y. ; Sullivan, C.

Keywords

LIBS; Gluten free flour; Ash content; Mineral content;TARTARY BUCKWHEAT; RICE; SAMPLES; CHEMOMETRICS; ADULTERATION; ELEMENTS; MILK; MEAT

Abstract

Gluten free (GF) diets are prone to mineral deficiency, thus effective monitoring of the elemental composition of GF products is important to ensure a balanced micronutrient diet. The objective of this study was to test the potential of laser-induced breakdown spectroscopy (LIBS) analysis combined with chemometrics for at-line monitoring of ash, potassium and magnesium content of GF flours: tapioca, potato, maize, buckwheat, brown rice and a GF flour mixture. Concentrations of ash, potassium and magnesium were determined with reference methods and LIBS. PCA analysis was performed and presented the potential for discrimination of the six GF flours. For the quantification analysis PLSR models were developed; R(2)cal were 0.99 for magnesium and potassium and 0.97 for ash. The study revealed that LIBS combined with chemometrics is a convenient method to quantify concentrations of ash, potassium and magnesium and present the potential to classify different types of flours.

Area:

Nutrition

Material:

Gluten free flour

Elements:

Lines [nm]:

Mg II 279.55 nm Mg II 279.80 nm Mg II 280.27 nm Mg I 285.21 nm Mg I 517.27 nm Mg I 518.36 nm

Lines [nm]:

K I 766.49 nm K I 769.90 nm

Emmision lines:
Mg II 279.55 nm
Mg II 279.80 nm
Mg II 280.27 nm
Mg I 285.21 nm
Mg I 517.27 nm
Mg I 518.36 nm
K I 766.49 nm
K I 769.90 nm

Introduction to laser induced breakdown spectroscopy imaging in food: Salt diffusion in meat

Author: Dixit, Y. ; et. al.

Journal: Journal of Food Engineering (2018)

Applications

DOI: 10.1016/j.jfoodeng.2017.08.010

Authors
Cama-Moncunill, R. ; Cama-Moncunill, X. ; Casado-Gavalda, M. P. ; Cullen, P. J. ; Jacoby, F. ; Markiewicz-Keszycka, M. ; Sullivan, C.

Keywords

LIBS; Beef; Brine; Imaging; Spatial;LIBS; QUANTIFICATION; CLASSIFICATION; BEEF; ADULTERATION; SODIUM; TISSUE

Abstract

This study illustrates the ability of laser induced breakdown spectroscopy (LIBS) to detect and map minerals in food. A LIBS system was used to spatially collect spectra of beef samples. Samples were brined in a 6% salt solution for 2 h and 24 h along with a control sample. Samples were measured by scanning the cross-section of each sample in a 90 x 90 square grid. Sodium (Na) distribution images with respect to emission peak at 589.05 nm were generated after pre-processing the spectral data which directly corresponds to salt levels. As expected, the control sample showed the lowest Na distribution whereas 2 h brined sample showed distribution along the sample's edges decreasing towards the centre. The 24 h brined sample showed increased diffusion. Overall, results show the ability of LIBS to map salt diffusion in meat via Na LIBS imaging, which could be used to optimize brining conditions. (C) 2017 Elsevier Ltd. All rights reserved.

Area:

Mapping ; Nutrition

Material:

Beef

Elements:

Lines [nm]:

Na I 589.00 nm Na I 589.59 nm

Lines [nm]:

Mg I 517.27 nm Mg I 518.36 nm

Lines [nm]:

K I 766.49 nm K I 769.90 nm

Lines [nm]:

Ca I 558.88 nm Ca I 612.22 nm

Emmision lines:
Mg I 517.27 nm
Mg I 518.36 nm
Ca I 558.88 nm
Na I 589.00 nm
Na I 589.59 nm
Ca I 612.22 nm
K I 766.49 nm
K I 769.90 nm

Quantification of rubidium as a trace element in beef using laser induced breakdownspectroscopy

Author: Dixit, Y. ; et. al.

Journal: Meat Science (2017)

Applications Chemometrics

DOI: 10.1016/j.meatsci.2017.03.013

Authors
Cama-Moncunill, R. ; Cama-Moncunill, X. ; Casado-Gavalda, M. P. ; Cullen, P. J. ; Sullivan, C.

Keywords

LIBS; Minced beef; Rubidium; PLSR; Chemometrics;MEAT; CLASSIFICATION; LIBS

Abstract

This study evaluates the potential of laser induced breakdown spectroscopy (LIBS) coupled with chemometrics to develop a quantification model for rubidium (Rb) in minced beef. A LIBSCAN 150 system was used to collect LIBS spectra of minced beef samples. Beef liver was used to spike the Rb levels in minced beef. All samples were dried, powdered and pelleted using a hydraulic press. Measurements were conducted by scanning 100 different locations with an automated XYZ sample chamber. Partial least squares regression (PLSR) was used to develop the calibration model, yielding a calibration coefficient of determination (R-c(2)) of 0.99 and a root mean square error of calibration (RMSEC) of 0.05 ppm. The model also showed good results with leave-one-out cross validation, yielding a cross-validation coefficient of determination (R-c(2)) of 0.90 and a root mean square error of cross-validation (RMSECV) of 0.22 ppm. The current study shows the potential of LIBS as a rapid analysis tool for the meat processing industry.

Area:

Nutrition

Material:

Beef

Elements:

Lines [nm]:

Rb I 780.03 nm

Emmision lines:
Rb I 780.03 nm

Laser-induced breakdown spectroscopy (LIBS) for food analysis: A review

Author: Markiewicz-Keszycka, M. ; et. al.

Journal: Trends in Food Science & Technology (2017)

Applications Chemometrics Review

DOI: 10.1016/j.tifs.2017.05.005

Authors
Cama-Moncunill, R. ; Cama-Moncunill, X. ; Casado-Gavalda, M. P. ; Cullen, P. J. ; Dixit, Y. ; Sullivan, C.

Keywords

LIBS; Mineral composition; Analytical technique; Food; Chemometrics;PLANT MATERIALS; WHEAT-FLOUR; CLASSIFICATION; ADULTERATION; SPECTROMETRY; IDENTIFICATION; CHEMOMETRICS; VALIDATION; EMISSION; STANDARD

Abstract

Background: Laser-induced breakdown spectroscopy (LIBS) is an atomic emission spectroscopic technique which uses a focused pulsed laser beam to generate plasma from the material. The plasma contains atoms, ions and free electrons which emit electromagnetic radiation as the plasma cools down. The emitted light is resolved by a spectrometer to form a spectrum. Recently, LIBS has become an emerging analytical technique for characterisation and identification of materials; its multi-elemental analysis, fast response, remote sensing, little to no sample preparation, low running cost and ease of use make LIBS a promising technique for the food sector. Scope and approach: The present article reviews the feasibility of LIBS for food analysis. It presents recent progress and applications of LIBS as an efficient and reagent-free, at-line tool capable of replacing traditional time-consuming analytical methods for assessing the quality and composition of food products. An overview of LIBS fundamentals, instrumentation and statistical data analysis is also provided. Key findings and conclusions: Although LIBS technology shows many advantages, challenges remain in terms of sample preparation, matrix effects, spectral pre-processing, model calibration and instrument development. (C) 2017 Elsevier Ltd. All rights reserved.

Area:

Health ; Nutrition

Material:

Food

Elements:

Lines [nm]:

Mg I 517.27 nm Mg I 277.98 nm Mg I 285.21 nm Mg I 382.94 nm Mg I 383.23 nm Mg I 383.83 nm Mg I 516.73 nm Mg I 518.36 nm Mg II 279.08 nm Mg II 279.55 nm Mg II 279.80 nm

Lines [nm]:

Ca II 317.93 nm Ca II 315.89 nm Ca II 393.37 nm Ca II 396.85 nm Ca I 422.67 nm Ca I 431.87 nm Ca I 643.91 nm Ca I 646.26 nm

Lines [nm]:

Na I 589.00 nm Na I 589.59 nm Na I 818.33 nm Na I 819.48 nm

Lines [nm]:

Si I 251.43 nm Si I 251.61 nm Si I 251.92 nm Si I 252.41 nm

Lines [nm]:

O I 777.19 nm O I 777.42 nm O I 777.54 nm

...

Emmision lines:
Zn II 202.55 nm
P I 213.62 nm
P I 214.92 nm
Si I 251.43 nm
Si I 251.61 nm
Si I 251.92 nm
Si I 252.41 nm
Mn II 257.61 nm
Fe II 259.94 nm
Mg I 277.98 nm
Mg II 279.08 nm
Mg II 279.55 nm
Mg II 279.80 nm
Mg I 285.21 nm
Fe I 300.05 nm
Ca II 315.89 nm
Ca II 317.93 nm
Cu I 324.75 nm
Cu I 327.40 nm
Mg I 382.94 nm
Mg I 383.23 nm
Mg I 383.83 nm
S II 393.33 nm
Ca II 393.37 nm
Al I 394.40 nm
Al I 396.15 nm
Ca II 396.85 nm
Mn I 403.08 nm
Fe I 404.58 nm
K I 404.72 nm
Ca I 422.67 nm
Ca I 431.87 nm
Ti I 498.17 nm
Mg I 516.73 nm
Mg I 517.27 nm
Mg I 518.36 nm
Cr I 520.45 nm
Na I 589.00 nm
Na I 589.59 nm
Ca I 643.91 nm
Ca I 646.26 nm
Li I 670.78 nm
K I 766.49 nm
K I 769.90 nm
O I 777.19 nm
O I 777.42 nm
O I 777.54 nm
Na I 818.33 nm
Na I 819.48 nm
Cl I 837.59 nm

Quantification of copper content with laser induced breakdown spectroscopy as a potential indicator of offal adulteration in beef

Author: Casado-Gavalda, M. P. ; et. al.

Journal: Talanta (2017)

Applications Chemometrics

DOI: 10.1016/j.talanta.2017.03.071

Authors
Cama-Moncunill, R. ; Cama-Moncunill, X. ; Cullen, P. J. ; Dixit, Y. ; Geulen, D. ; Markiewicz-Keszycka, M. ; Sullivan, C.

Keywords

LIBS; Beef; Offal; Copper; PLSR; Chemometrics;MOTION CONDITIONS; TRACE-ELEMENTS; MEAT; SPECTROMETRY; LIBS; CLASSIFICATION; PREDICTION; SAMPLES

Abstract

Laser induced breakdown spectroscopy (LIBS) is an emerging technique in the field of food analysis which provides various advantages such as minimal sample preparation, chemical free, rapid detection, provision of spatial information and portability. In this study, LIBS was employed for quantitative analysis of copper content in minced beef samples spiked with beef liver over three independent batches. Copper content was determined with graphite furnace atomic absorption spectroscopy (GFAAS) in order to obtain reference values for modelling. Partial least square regression (PLSR) was performed to build a calibration and validation model. A calibration model with a high R-cv(2) of 0.85 and a RMSECV of 43.5 ppm was obtained, confirming a good fit for the model. The validation model showed a good prediction accuracy with a high R-p(2) of 0.85 and RMSEP of 36.8 ppm. Moreover, on a further study to evaluate the spatial capabilities, LIBS was able to successfully map copper content within a pellet, indicating the suitability of LIBS to provide spatial information and therefore potential use on heterogeneous samples. Overall, it can be concluded that LIBS combined with chemometrics demonstrates potential as a quality monitoring tool for the meat processing industry.

Area:

Industry ; Nutrition

Material:

Beef

Elements:

Lines [nm]:

Na I 589.00 nm Na I 589.59 nm Na I 818.33 nm Na I 819.48 nm

Lines [nm]:

N I 742.36 nm N I 744.23 nm N I 746.83 nm

Lines [nm]:

Mg II 279.55 nm Mg I 518.36 nm

Lines [nm]:

K I 766.49 nm K I 769.90 nm

Lines [nm]:

Ca II 393.37 nm Ca I 422.67 nm

...

Emmision lines:
C I 247.86 nm
Mg II 279.55 nm
Cu I 324.75 nm
Cu I 327.40 nm
Zn I 330.29 nm
Ca II 393.37 nm
Ca I 422.67 nm
Mg I 518.36 nm
Na I 589.00 nm
Na I 589.59 nm
H I 656.28 nm
N I 742.36 nm
N I 744.23 nm
N I 746.83 nm
K I 766.49 nm
K I 769.90 nm
O I 777.19 nm
Rb I 780.03 nm
Na I 818.33 nm
Na I 819.48 nm

Laser induced breakdown spectroscopy for quantification of sodium and potassium in minced beef: a potential technique for detecting beef kidney adulteration

Author: Dixit, Y. ; et. al.

Journal: Analytical Methods (2017)

Applications Chemometrics

DOI: 10.1039/c7ay00757d

Authors
Cama-Moncunill, R. ; Cama-Moncunill, X. ; Casado-Gavalda, M. P. ; Cullen, P. J. ; Markiewicz-Keszycka, M. ; Sullivan, C.

Keywords

NIR SPECTROSCOPY; DATA NORMALIZATION; MOTION CONDITIONS; INFANT FORMULA; DIETARY-SODIUM; BLOOD-PRESSURE; MEAT; LIBS; CLASSIFICATION; PREDICTION

Abstract

Beef is a rich source of important minerals, with potassium (K) being the most abundant mineral quantitatively except in cured meats where sodium (Na) from the added salt predominates. This study evaluates the capability of LIBS for quantification of the Na and K contents of minced beef as a potential method of detecting beef kidney adulteration. Additionally, the study aims to demonstrate the ability of LIBS to provide spatial mineral information of minced beef. A LIBS system was employed to collect spectral information of adulterated minced beef samples. Atomic absorption spectroscopy (AAS) was used to obtain reference values for Na and K. The chemometric technique of partial least squares regression (PLSR) was used to build the prediction models. Spatial mineral maps of minced beef samples were generated based on the predicted percentages of Na and K. The models for Na and K yielded calibration coefficients of determination (R-c(2)) of 0.97 and 0.91 respectively. Similarly, a good calibration model was obtained for adulteration yielding a R-c(2) of 0.97. Good prediction accuracy was observed for all models. Spatial mapping provided two major advantages: (a) representative measurements of samples and (b) spatial distribution of multi-elements. The results observed illustrate the ability of LIBS combined with chemometrics as a potential monitoring tool for mineral quantification as well as adulteration detection for the meat processing industry.

Area:

Health

Material:

Beef

Elements:

Lines [nm]:

Ca II 393.37 nm Ca II 396.85 nm Ca I 422.67 nm Ca I 430.25 nm Ca I 443.50 nm Ca I 445.48 nm Ca I 612.22 nm Ca I 616.22 nm Ca I 643.91 nm Ca I 646.26 nm

Lines [nm]:

Na II 445.47 nm Na I 568.26 nm Na I 568.82 nm Na I 589.00 nm Na I 589.59 nm Na I 818.33 nm Na I 819.48 nm

Lines [nm]:

Fe I 445.50 nm Fe II 512.88 nm Fe I 516.46 nm Fe I 568.25 nm Fe I 643.88 nm

Lines [nm]:

Mg II 279.55 nm Mg II 280.27 nm Mg I 285.21 nm Mg I 518.36 nm

Lines [nm]:

N I 742.36 nm N I 744.26 nm N I 746.83 nm

...

Emmision lines:
Mg II 279.55 nm
Mg II 280.27 nm
Mg I 285.21 nm
Zn I 330.26 nm
Ca II 393.37 nm
Ca II 396.85 nm
Ca I 422.67 nm
Ca I 430.25 nm
Ca I 443.50 nm
Na II 445.47 nm
Ca I 445.48 nm
K II 445.50 nm
Fe I 445.50 nm
Fe II 512.88 nm
Fe I 516.46 nm
Rb II 516.46 nm
Mg I 518.36 nm
Fe I 568.25 nm
Na I 568.26 nm
Na I 568.82 nm
Na I 589.00 nm
Na I 589.59 nm
Ca I 612.22 nm
Ca I 616.22 nm
Fe I 643.88 nm
Ca I 643.91 nm
Ca I 646.26 nm
H I 656.28 nm
N I 742.36 nm
N I 744.26 nm
N I 746.83 nm
K I 766.49 nm
K I 769.90 nm
O I 777.19 nm
O I 777.42 nm
Rb I 780.03 nm
Na I 818.33 nm
Na I 819.48 nm

Author: Cama-Moncunill, R.

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Co-author: Cama-Moncunill, R.

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