title: Development of Fourier transform mid-infrared calibrations to predict acetone, β-hydroxybutyrate, and citrate contents in bovine milk through a European dairy network.
abstract: To manage negative energy balance and ketosis in dairy farms, rapid and cost-effective detection is needed. Among the milk biomarkers that could be useful for this purpose, acetone and β-hydroxybutyrate (BHB) have been proved as molecules of interest regarding ketosis and citrate was recently identified as an early indicator of negative energy balance. Because Fourier transform mid-infrared spectrometry can provide rapid and cost-effective predictions of milk composition, the objective of this study was to evaluate the ability of this technology to predict these biomarkers in milk. Milk samples were collected in commercial and experimental farms in Luxembourg, France, and Germany. Acetone, BHB, and citrate contents were determined by flow injection analysis. Milk mid-infrared spectra were recorded and standardized for all samples. After edits, a total of 548 samples were used in the calibration and validation data sets for acetone, 558 for BHB, and 506 for citrate. Acetone content ranged from 0.020 to 3.355mmol/L with an average of 0.103mmol/L; BHB content ranged from 0.045 to 1.596mmol/L with an average of 0.215mmol/L; and citrate content ranged from 3.88 to 16.12mmol/L with an average of 9.04mmol/L. Acetone and BHB contents were log-transformed and a part of the samples with low values was randomly excluded to approach a normal distribution. The 3 edited data sets were then randomly divided into a calibration data set (3/4 of the samples) and a validation data set (1/4 of the samples). Prediction equations were developed using partial least square regression. The coefficient of determination (R(2)) of cross-validation was 0.73 for acetone, 0.71 for BHB, and 0.90 for citrate with root mean square error of 0.248, 0.109, and 0.70mmol/L, respectively. Finally, the external validation was performed and R(2) obtained were 0.67 for acetone, 0.63 for BHB, and 0.86 for citrate, with respective root mean square error of validation of 0.196, 0.083, and 0.76mmol/L. Although the practical usefulness of the equations developed should be further verified with other field data, results from this study demonstrated the potential of Fourier transform mid-infrared spectrometry to predict citrate content with good accuracy and to supply indicative contents of BHB and acetone in milk, thereby providing rapid and cost-effective tools to manage ketosis and negative energy balance in dairy farms.
authors.affiliation: Walloon Agricultural Research Center (CRA-W), Valorization of Agricultural Products Department, 24 Chaussée de Namur, 5030 Gembloux, Belgium.
authors.forename: C
authors.initials: C
authors.lastname: Grelet
authors.affiliation: University of Liège, Gembloux Agro-Bio Tech, Agriculture, Bio-engineering and Chemistry Department, 2 Passage des Déportés, 5030 Gembloux, Belgium.
authors.forename: C
authors.initials: C
authors.lastname: Bastin
authors.affiliation: French Livestock Institute (IDELE), 9 rue André Brouard, CS 70510, 49105 Angers cedex 02, France.
authors.forename: M
authors.initials: M
authors.lastname: Gelé
authors.affiliation: Clasel, 141 Boulevard des Loges, 53942 Saint Berthevin, France.
authors.forename: J-B
authors.initials: JB
authors.lastname: Davière
authors.affiliation: Clasel, 141 Boulevard des Loges, 53942 Saint Berthevin, France.
authors.forename: M
authors.initials: M
authors.lastname: Johan
authors.affiliation: Landeskontrollverband (LKV) Baden Württemberg, Heinrich-Baumann Str. 1-3, 70190 Stuttgart, Germany.
authors.forename: A
authors.initials: A
authors.lastname: Werner
authors.affiliation: Convis S.C., 4 Zone Artisanale et Commerciale, 9085 Ettelbruck, Luxembourg.
authors.forename: R
authors.initials: R
authors.lastname: Reding
authors.affiliation: Walloon Agricultural Research Center (CRA-W), Valorization of Agricultural Products Department, 24 Chaussée de Namur, 5030 Gembloux, Belgium.
authors.forename: J A
authors.initials: JA
authors.lastname: Fernandez Pierna
authors.affiliation: University of Liège, Gembloux Agro-Bio Tech, Agriculture, Bio-engineering and Chemistry Department, 2 Passage des Déportés, 5030 Gembloux, Belgium.
authors.forename: F G
authors.initials: FG
authors.lastname: Colinet
authors.affiliation: Walloon Agricultural Research Center (CRA-W), Valorization of Agricultural Products Department, 24 Chaussée de Namur, 5030 Gembloux, Belgium.
authors.forename: P
authors.initials: P
authors.lastname: Dardenne
authors.affiliation: University of Liège, Gembloux Agro-Bio Tech, Agriculture, Bio-engineering and Chemistry Department, 2 Passage des Déportés, 5030 Gembloux, Belgium.
authors.forename: N
authors.initials: N
authors.lastname: Gengler
authors.affiliation: University of Liège, Gembloux Agro-Bio Tech, Agriculture, Bio-engineering and Chemistry Department, 2 Passage des Déportés, 5030 Gembloux, Belgium.
authors.forename: H
authors.initials: H
authors.lastname: Soyeurt
authors.affiliation: Walloon Agricultural Research Center (CRA-W), Valorization of Agricultural Products Department, 24 Chaussée de Namur, 5030 Gembloux, Belgium. Electronic address: f.dehareng@cra.wallonie.be.
authors.forename: F
authors.initials: F
authors.lastname: Dehareng
mesh_terms: D020155:3-Hydroxybutyric Acid / Q000032:analysis*; D000096:Acetone / Q000032:analysis*; D000818:Animals; D002138:Calibration; D002417:Cattle; D002418:Cattle Diseases / Q000175:diagnosis; D019343:Citric Acid / Q000032:analysis*; D003362:Cost-Benefit Analysis; D003612:Dairying / Q000379:methods; D005260:Female; D005602:France; D005858:Germany; D007662:Ketosis / Q000175:diagnosis / Q000662:veterinary; D008892:Milk / Q000737:chemistry*; D015203:Reproducibility of Results; D017550:Spectroscopy, Fourier Transform Infrared / Q000662:veterinary*
chemical_list: D000096:Acetone; D019343:Citric Acid; D020155:3-Hydroxybutyric Acid
keywords: Fourier transform mid-infrared spectrometry; acetone; citrate; milk; β-hydroxybutyrate