Exploring Fourier transform mid-infra-red spectrometry to predict biochemical parameters in horse’s blood

Figures & data

Table 1. Analytical reference methods (Calamari et al. 2016) and descriptive statistic of the variables measured in 72 horse plasma samples using the reference methods.

	Analytical reference methods			Descriptive statistic
Item	Methodology	Wavelength, nm	CV^a	Mean	SD^b	Min.^c	Max.^d	CV^e
Minerals
Ca, mmol/L	Endpoint	570	1.40	3.10	0.12	2.77	3.42	4
Na, mmol/L	ISE device		0.90	139.60	1.20	136.70	142.50	1
K, mmol/L	ISE device		1.30	3.83	0.51	2.14	5.12	13
Cl, mmol/L	ISE device		1.50	104.70	1.50	101.70	108.30	1
Zn, μmol/L	Endpoint	546		10.48	1.40	7.22	15.89	13
Mg, mmol/L	Rate	340	1.40	0.71	0.06	0.56	0.82	8
Inorganic P, mmol/L	Endpoint	340	2.00	1.17	0.20	0.75	1.66	17
Enzymes
AST^f, U/L	Rate	340	2.10	304.60	103.70	201.30	755.00	34
LDH^g, U/L	Rate	340	1.00	451.90	138.70	229.90	928.20	31
AP^h, U/L	Rate	405	1.70	130.30	37.80	67.20	227.90	29
Paraoxonase, U/mL	Endpoint	405	6.77	103.10	19.60	64.80	147.20	19
GGT^i, U/L	Rate	405	3.72	27.97	7.33	9.90	48.51	26
Myeloperoxidase, U/L	Rate	450	5.13	492.70	84.00	272.30	665.10	17
Ceruloplasmin, µmol/L	Endpoint	546	3.48	2.82	0.68	1.58	4.98	24
Protein and energy markers
NEFA^j, mmol/L	Endpoint	546	1.50	0.19	0.13	0.05	0.51	69
Glucose, mmol/L	Endpoint	510	1.50	5.35	0.38	4.50	6.17	7
LDL^k cholesterol, mmol/L	Endpoint	600	3.30	0.63	0.23	0.20	1.31	37
HDL^l cholesterol, mmol/L	Endpoint	600	3.10	1.36	0.20	0.93	1.97	14
Urea, mmol/L	Endpoint	340	1.20	5.27	0.93	3.38	7.63	18
Total cholesterol, mmol/L	Endpoint	510	2.10	2.42	0.36	1.59	3.42	15
Triglycerides, mmol/L	Endpoint	510	2.40	0.32	0.09	0.13	0.62	30
Albumin, g/L	Endpoint	600	1.80	35.09	1.70	30.90	39.32	5
Globulin, g/L				32.70	3.93	25.70	44.50	12
Total protein, g/L	Endpoint	546	1.20	67.80	3.81	60.00	79.00	6
Other parameters
Creatinine, µmol/L	Endpoint	510	5.40	106.50	13.10	80.50	137.70	12
Haptoglobin, g/L	Endpoint	450	13.54	1.01	0.30	0.16	2.03	30
FRAP^m, µmol/L	Endpoint	600	7.70	164.60	32.10	73.50	246.00	20
Total bilirubin, µmol/L	Endpoint	546	6.70	25.19	8.54	10.54	55.06	34

^aCoefficient of variation = calculated on the results obtained between runs according to the National Committee for Clinical Laboratory Standards (Document EP3-T: Guidelines for Manufacturers for Establishing Performance Claims for Clinical Chemistry Methods, Replication Experiment Evaluation,” Villanova, PA, 1982.). ^bStandard deviation. ^cminimum. ^dmaximum. ^ecoefficient of variation of the plasma variables measured with reference method. ^faspartate aminotransferase. ^glactate dehydrogenase. ^halkaline phosphatase. ⁱγ-glutamyl transferase. ^jnon-esterified fatty acids. ^klow-density lipoproteins. ^lhigh-density lipoproteins. ^mferric reducing antioxidant power.

Table 2. Summary of partial least squares prediction models obtained with the calibration dataset (n = 54 samples) and validation dataset (n = 18 samples) from horse plasma samples.

	Calibration model			Validation model
Parameters	Number of extracted factors	R^2^a	RMSEE^b	R^2^a	RPD^c	RMSEP^d	Bias
Minerals
Ca, mmol/L	1	0.070	0.110	0.030	1.020	0.150	−0.016
Na, mmol/L	1	0.150	1.070	0.190	1.140	1.280	−0.279
K, mmol/L	4	0.360	0.390	0.210	1.190	0.520	−0.173
Cl, mmol/L	5	0.520	1.030	0.260	1.180	1.430	−0.199
Zn, µmol/L	3	0.310	1.220	0.530	1.490	0.920	−0.189
Mg, mmol/L	7	0.590	0.040	0.560	1.540	0.040	0.008
Inorganic P, mmol/L	8	0.910	0.060	0.880	2.920	0.080	−0.002
Enzymes
AST^e, U/L	1	0.110	93.900	0.010	1.000	115.000	24.200
LDH^f, U/L	1	0.130	117.000	0.150	1.100	158.000	39.400
AP^g, U/L	1	0.190	31.800	0.260	1.200	37.800	4.350
Paraoxonase, U/mL	2	0.320	15.900	0.340	1.200	17.400	−1.870
GGT^h, U/L	6	0.640	4.140	0.390	1.310	7.020	1.660
Myeloperoxidase, U/L	2	0.350	67.200	0.530	1.500	61.800	8.640
Ceruloplasmin, µmol/L	3	0.530	0.440	0.580	1.540	0.540	0.040
Protein and energy markers
NEFA^i, mmol/L	6	0.570	0.090	0.330	1.230	0.100	0.011
Glucose, mmol/L	7	0.610	0.240	0.340	1.310	0.370	−0.133
LDL^j cholesterol, mmol/L	7	0.810	0.100	0.750	2.020	0.130	0.018
HDL^k cholesterol, mmol/L	7	0.790	0.090	0.800	2.260	0.090	0.024
Urea, mmol/L	7	0.860	0.320	0.900	3.180	0.390	−0.077
Total cholesterol, mmol/L	7	0.950	0.090	0.940	4.370	0.100	0.040
Triglycerides, mmol/L	7	0.920	0.030	0.960	4.960	0.020	0.002
Albumin, g/L	3	0.960	0.340	0.960	5.370	0.370	0.090
Albumin globulin ratio	7	0.980	0.020	0.970	5.920	0.030	0.006
Globulin, g/L	1	0.960	0.770	0.980	8.400	0.590	−0.216
Total protein, g/L	2	0.980	0.530	0.990	9.330	0.480	0.174
Other parameters
Creatinine, µmol/L	1	0.200	11.400	0.150	1.100	13.200	2.380
Haptoglobin, g/L	1	0.150	0.280	0.240	1.150	0.280	−0.028
FRAP^l, µmol/L	4	0.420	22.400	0.370	1.400	27.100	11.300
Total bilirubin, µmol/L	4	0.360	6.870	0.530	1.660	6.110	2.920

^aCoefficient of determination. ^broot mean square error of estimation. ^cresidual prediction deviation. ^droot mean square error of prediction. ^easpartate amino transferase. ^flactate dehydrogenase. ^galkaline phosphatase. ^hγ-glutamyl transferase. ⁱnon-esterified fatty acids. ^jlow-density lipoproteins. ^khigh-density lipoproteins. ^lferric reducing antioxidant power.

Calamari L, Ferrari A, Minuti A, Trevisi E. 2016. Assessment of the main plasma parameters included in a metabolic profile of dairy cow based on Fourier transform mid-infrared spectroscopy: preliminary results. BMC Vet Res. 12:4.

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