CAJ | 학술논문

采用FFIR/ATR光谱,偏最小二乘法(PLS)和Savitzky-Gohy(SG)平滑方法建立甘蔗糖蜜锤度的快速测定方法和光谱分析的优化模型.基于全谱4500-600cm~(-1),利用计算机算法平台,把483种SG平滑模式和1-40的PLS因子数任意组合分别建立PLS模型.根据预测效果,最优模型为原谱平滑,2、3次多项式类型,45平滑点数,PLS因子数为6,预测均方根偏差(RMSEP)、预测相关系数(r_p)和相对预测均方根偏差(RRMSEP)分别为0.978%、0.902%和1.05%,预测精度很高,并且大幅度优于未做SG平滑处理直接用PLS建模的预测效果.从而表明,FTIR/ATR光谱能够应用于甘蔗糖蜜锤度的快速准确测定,SG平滑模式和PLS因子数的联合大范围筛选能够有效地应用于FTIR/ATR光谱分析的模型优选.
채용FFIR/ATR광보,편최소이승법(PLS)화Savitzky-Gohy(SG)평활방법건립감자당밀추도적쾌속측정방법화광보분석적우화모형.기우전보4500-600cm~(-1),이용계산궤산법평태,파483충SG평활모식화1-40적PLS인자수임의조합분별건립PLS모형.근거예측효과,최우모형위원보평활,2、3차다항식류형,45평활점수,PLS인자수위6,예측균방근편차(RMSEP)、예측상관계수(r_p)화상대예측균방근편차(RRMSEP)분별위0.978%、0.902%화1.05%,예측정도흔고,병차대폭도우우미주SG평활처리직접용PLS건모적예측효과.종이표명,FTIR/ATR광보능구응용우감자당밀추도적쾌속준학측정,SG평활모식화PLS인자수적연합대범위사선능구유효지응용우FTIR/ATR광보분석적모형우선.
Sugarcane molasses brix was determined fast by FTIR/ATR spectroscopy with partial least squares (PLS) and Savitzky-Golay (SG) smoothing method,and the optimal spectral analysis model was also established.The PLS model was established by any combination of 483 SG smoothing models and 1-40 PLS factors, based on the whole region (4500-600cm~(-1)) and the computer algorithm platform.According to the prediction effect, the optimal model is the original spectra smoothing, 2 or 3 degree polynomial, 45 smoothing points, the PLS factor of 6,and RMSEP, r_p and RRMSEP of 0.978 %, 0.902 and 1.05 % respectively.The prediction accuracy is very high,and it is substantially superior to the prediction effect of the PLS model without SG smoothing.The results show that FTIR/ATR spectroscopy can be used to the rapidly accurate determination of sugarcane molasses brix, and large-scale optimization combining SG smoothing modes and PLS factors can be effectively applied to the model optimization of FTIR/ATR spectral analysis.