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首页> 外文期刊>Journal of near infrared spectroscopy >Determination of the syringyl/guaiacyl ratio of Eucalyptus globulus wood lignin by near infrared-based partial least squares regression models using analytical pyrolysis as the reference method
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Determination of the syringyl/guaiacyl ratio of Eucalyptus globulus wood lignin by near infrared-based partial least squares regression models using analytical pyrolysis as the reference method

机译：基于近红外的偏最小二乘回归模型，以分析热解为参考方法，测定桉木木质素的丁香基/愈创木基比

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摘要

High syringly/guaiacyl (S/G) ratios are advantageous for chemical pulp production due to higher delignification rates, higher pulp yields and lower chemical consumption. Near infrared-based partial least-squares regression (PLS-R) models were developed to assess the S/G ratio of Eucalyptus globulus wood using analytical pyrolysis as the reference method. The PLS-R models obtained using the wavenumber range from 6100 cm~(-1) to 5450 cm~(-1) (1639-1835 nm) of the preprocessed spectra using first derivative (1stDer) and first derivative in combination with; vector normalisation (1stDerVN), multiplicative scatter correction (1stDerMSC) and straight-line-subtraction (1stDerSLS), and the second derivative (2ndDer), are well qualified for rapid screening the S/G ratio of Eucalyptus globulus wood. Overall, models using 1stDerVN and 1stDerMSC preprocess (78 samples) requiring only three PLS components have the best statistics with coefficient of determination (r~2)=0.97, root mean square error of cross-validation (RMSECV)=0.025 and residual prediction deviation (RPD)=5.7.
机译：由于较高的脱木素率，较高的纸浆产率和较低的化学消耗量，所以高的注射器/愈创木脂（S / G）比率对于化学纸浆生产是有利的。基于分析热解作为参考方法，开发了基于近红外的偏最小二乘回归（PLS-R）模型，以评估桉木的S / G比。使用一阶导数（1stDer）和一阶导数结合的预处理光谱的波数范围为6100 cm〜（-1）至5450 cm〜（-1）（1639-1835 nm）获得的PLS-R模型;矢量归一化（1stDerVN），乘法散射校正（1stDerMSC）和直线减法（1stDerSLS）以及二阶导数（2ndDer）非常适合快速筛选桉木的S / G比。总体而言，使用仅需三个PLS组件的1stDerVN和1stDerMSC预处理模型（78个样本）具有最佳的统计量，其中确定系数（r〜2）= 0.97，交叉验证的均方根误差（RMSECV）= 0.025和残余预测偏差（RPD）＝ 5.7。

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