Dynamic predictive models of five alkaloids in Coptis during the process of stir-frying with wine using near-infrared spectroscopy

Figures & data

Table 1. Orthogonal design of processed Coptis.

Factors	A Contents of rice wine (%)	B Sealed moistening time (h)	C Stir-fry temperature (°C)
levels
1	0.0	0	indoor temperature
2	10.0	1	130
3	12.5	2	160
4	15.0	4	190
5	17.5	8	220

Figure 1. Near‑infrared spectra of Coptis samples.

Figure 2. HPLC results of standard substance (a) and processed Coptis sample (b) Peak No.: 1. Jateorrhizine; 2. Epiberberine; 3. Coptisine; 4. Palmatine; and 5. Berberine.

Table 2. Results obtained with different spectral pretreatment methods.

	Pretreatment method	Rcal (%)	RMSECV	RPD
	MSC	97.98	0.0038	6.84
	VN	99.05	0.0024	10.43
	SLS	99.23	0.0024	11.40
	COE	99.09	0.0029	10.50
	MMN	98.60	0.0030	8.68
Jatrorrhizine	First derivative	99.06	0.0030	10.35
	Second derivative	98.20	0.0039	7.48
	First derivative + VN	98.65	0.0029	9.05
	First derivative + SLS	98.85	0.0033	9.32
	First derivative + MSC	99.11	0.0023	10.60
	MSC	96.67	0.0326	6.04
	VN	93.45	0.0412	6.20
	SLS	78.92	0.0729	3.74
	COE	97.32	0.0300	6.20
	MMN	98.15	0.0259	7.43
Epiberberine	First derivative	90.11	0.0581	3.22
	Second derivative	74.55	0.0919	2.00
	First derivative + VN	70.98	0.0979	1.89
	First derivative + SLS	86.11	0.0688	2.69
	First derivative + MSC	69.38	0.1090	1.81
	MSC	98.95	0.0119	9.78
	VN	98.75	0.0148	8.93
	SLS	99.31	0.0136	12.00
	COE	99.45	0.0119	13.50
	MMN	99.05	0.0111	10.54
Coptisine	First derivative	99.37	0.0130	12.60
	Second derivative	95.25	0.0245	4.65
	First derivative + VN	98.62	0.0141	8.57
	First derivative + SLS	99.15	0.0106	10.85
	First derivative + MSC	98.98	0.0111	9.95
Palmatine	MSC	97.39	0.0100	6.23
	VN	96.70	0.0112	5.52
	SLS	98.56	0.0080	8.46
	COE	98.89	0.0068	9.53
	MMN	97.45	0.0099	6.43
	First derivative	98.63	0.0074	8.53
	Second derivative	86.48	0.0216	2.72
	First derivative + VN	96.90	0.0105	5.68
	First derivative + SLS	98.59	0.0076	8.43
	First derivative + MSC	96.50	0.0112	5.38
Berberine	MSC	98.40	0.0941	7.91
	VN	98.00	0.1060	7.07
	SLS	99.42	0.0523	13.10
	COE	99.18	0.0723	11.10
	MMN	98.77	0.0806	9.02
	First derivative	99.11	0.0743	10.60
	Second derivative	98.59	0.0743	8.44
	First derivative + VN	98.94	0.0663	9.73
	First derivative + SLS	99.43	0.0487	13.20
	First derivative + MSC	98.64	0.0768	8.59

Table 3. Parameters of different spectral regions in PLS models.

	Spectral reign (cm^–^Citation1)	Rcal (%)	RMSECV	RPD
Jatrorrhizine	12003.5-5448.2	99.24	0.0025	11.60
	12003.5-5448.2 4600.6-4249.3	99.22	0.0024	11.40
	7502.2-6097.2 5452-4249.3	98.81	0.0030	9.16
	12003.5-7498.4 5452-4249.3	98.17	0.0037	7.38
	6101-5448.2	83.57	0.0111	2.47
Epiberberine	12003.5-4596.8	97.84	0.0293	6.81
	12003.5-6097.2 5452-4596.3	97.44	0.0319	6.25
	12003.5-6097.2 5452-4596.8	97.04	0.0343	5.82
	12003.5-6097.2 4600.6-4249.3	91.44	0.0583	3.42
	7502.2-4596.8	88.89	0.0665	3.00
Coptisine	9052.3-6097.2 5452-4249.3	99.47	0.0115	13.80
	7502.2-6097.2 5452-4596.8	99.46	0.0116	13.60
	12003.5-4596.8	99.45	0.0118	13.50
	12003.5-6097.2 5452-4249.3	99.42	0.0121	13.10
	7502.2-6097.2 5452-4249.3	99.37	0.0126	12.60
Palmatine	12003.5-7498.4 5452-4596.8	98.82	0.0073	9.22
	12003.5-7498.4 5452-4249.3	98.63	0.0078	8.56
	12003.5-7498.4 6101-4249.3	98.54	0.0081	8.28
	12003.5-6097.2 4600.6-4249.3	98.54	0.0081	8.26
	12003.5-6097.2	97.76	0.0100	6.68
Berberine	7502.2-4249.3	99.43	0.0487	13.20
	12003.5-6097.2 5452-4596.8	99.42	0.0477	13.10
	12003.5-7498.4 5452-4596.8	99.11	0.0605	12.86
	6101-4596.8	98.22	0.0829	12.53
	5452-4596.8	96.68	0.1170	10.33

Figure 3. Parameters of the number of model factors by RMSECV: (a) Jatrorrhizine,(b) Epiberberine, (c) Coptisine,(d) Palmatine, (e) Berberine.

Table 4. Parameters of optimal models and validation results.

	Jatrorrhizine	Epiberberine	Coptisine	Palmatine	Berberine
Spectral pretreatment method	SLS	MMN	COE	COE	First Derivative + SLS
Factor	7	12	9	10	7
Spectrum region (cm-1)	12003.5-5448.2	12003.5-4596.8	9052.3-6097.2 5452-4249.3	12003.5-7498.4 5452-4596.8	7502.2-4249.3
Rcal (%)	99.23	98.15	99.45	98.89	99.43
RMSECV	0.0024	0.0259	0.0119	0.0068	0.0487
RPD	11.40	7.43	13.50	9.53	13.20
RMSEP	0.0030	0.0387	0.0206	0.0095	0.0516
Rval (%)	99.43	98.41	99.29	99.23	99.87

Figure 4. Relations of values measured by HPLC and the five alkaloids models: (a) Jatrorrhizine, (b) Epiberberine, (c) Coptisine, (d) Palmatine, (e) Berberine.

Table 5. Statistical table of single factors created by SPSS. Dependent Variable: Content of total alkaloids.

				95% Confidence Interval
		Mean	Std. Error	Lower Bound	Upper Bound
	1	23.132	0.295	22.549	23.714
	2	23.414	0.295	22.832	23.997
A	3	24.478	0.295	22.895	25.060
	4	23.653	0.295	23.071	24.236
	5	23.475	0.295	22.892	24.057
	1	23.486	0.295	22.903	24.068
	2	23.246	0.295	22.663	23.828
B	3	23.811	0.295	23.229	24.394
	4	23.454	0.295	22.872	24.037
	5	23.155	0.295	22.572	23.737
	1	22.153	0.295	20.571	23.736
	2	23.299	0.295	22.717	23.882
C	3	25.234	0.295	23.652	25.816
	4	23.524	0.295	22.941	24.106
	5	22.942	0.295	22.359	23.524

Figure 5. HPLC results of raw (a) and processed Coptis (b).

Dai, S.; Xu, B.; Zhang, Y.; Li, J.; Sun, F.; Shi, X.; Qiao, Y. Establishment and Reliability Evaluation of the Design Space for HPLC Analysis of Six Alkaloids in Coptis chinensis (Huanglian) Using Bayesian Approach. Chinese Journal of Natural Medicines. 2016, 14, 697−708.

 PubMed Web of Science ®Google Scholar