摘要
为明晰使用高聚物作为标样的烟草主要常规化学指标近红外(NIR)光谱定量模型的传递效果,推动NIR光谱分析技术在烟草领域的推广应用,以烟草和17种高聚物作为标样,分别采用分段直接校正(PDS)和光谱空间转换(SST)建立同一牌号和不同牌号NIR光谱仪从机到同一主机的光谱传递模型。使用传递后光谱与主机建模光谱的主成分分析-马氏距离对PDS和SST参数进行优化,并使用传递后从机光谱预测结果与参考方法测定值之间的预测均方根误差(RMSEP)评价模型的传递效果。结果表明:①最优的PDS参数为分段波长窗口宽度6cm-1,PLS主因子数6。②最优的SST参数为PLS主因子数6。③90个外部测试集样品总氮、烟碱和总糖在同一牌号和不同牌号NIR光谱仪模型传递的RMSEP表明,光谱传递模型对外部测试集的校正效果从优到劣的顺序为烟草标样+SST、烟草标样+PDS、高聚物标样+PDS、高聚物标样+SST。烟草作为标样对初烤烟叶总氮、烟碱和总糖NIR模型的传递效果优于高聚物标样,可为NIR光谱在烟草领域的推广应用奠定基础。
To evaluate the transfer effects of near-infrared(NIR)spectral quantitative models for the mainconventional chemical indexes of tobacco using polymers as standard samples, and to promote theapplication of NIR spectroscopy in the tobacco industry, spectral transfer models were established for thesame brand and different brands of NIR spectrometers from slave to the same host instruments usingpiecewise direct standardization(PDS)and spectral space transformation(SST), with tobacco and 17polymers as the standard materials. Principal component analysis and Mahalanobis distances between thetransferred and original spectra from the host instrument were used to optimize the PDS and SST parameters. The effectiveness of the transfer models was evaluated using the root mean square error ofprediction (RMSEP) between the predicted values based on the transferred spectra from the slaveinstrument and the determined values obtained using reference methods. The results showed that: 1) Theoptimal PDS parameters were a segment wavelength window width of 6 cm -1 and six PLS principalfactors. 2)The optimal SST parameter was six PLS principal factors. 3)The RMSEP values for totalnitrogen, nicotine, and total sugar in the 90 external test samples across the same brand and different brandNIR spectrometer model transfers indicated that the calibration performance of the spectral transfer modelswas as follows, ranked from best to worst: tobacco standard sample + SST, tobacco standard sample +PDS, polymer standard sample + PDS, and polymer standard sample + SST. Tobacco performed betterthan the polymers as standard samples for transferring NIR models of total nitrogen, nicotine, and totalsugar in flue-cured tobacco leaves. These findings provide a foundation for the wider application of NIRspectroscopy in the tobacco industry.
作者
王萝萍
马翔
陆俊平
韩莹
刘欣
祁飞燕
马洪锋
杨舒涵
郑博文
WANG Luoping;MA Xiang;LU Junping;HAN Ying;LIU Xin;QI Feiyan;MA Hongfeng;YANG Shuhan;ZHENG Bowen(Raw Material Center,China Tobacco Yunnan Industrial Co.,Ltd.,Kunming 650231,China;Yuxi Cigarette Factory,Hongta Tobacco(Group)Co.,Ltd.,Yuxi 653100,Yunnan,China;Kunming Cigarette Factory,HongyunHonghe Tobacco(Group)Co.,Ltd.,Kunming 650000,China)
出处
《烟草科技》
北大核心
2025年第7期10-19,共10页
Tobacco Science & Technology
基金
云南中烟工业有限责任公司重点项目“云南中烟烟叶近红外模型统一构建与应用研究”(2023YL05)。
关键词
烟草
近红外光谱
模型传递
标样
高聚物
常规化学指标
Tobacco
Near-infrared spectroscopy
Model transfer
Standard sample
Polymer
Conventional chemical index
