Nuopponen Mari H, Birch Gillian M, Sykes Rob J, Lee Steve J, Stewart Derek
Scottish Crop Research Institute, Dundee DD2 5DA, Scotland, UK.
J Agric Food Chem. 2006 Jan 11;54(1):34-40. doi: 10.1021/jf051066m.
Sitka spruce (Picea sitchensis) samples (491) from 50 different clones as well as 24 different tropical hardwoods and 20 Scots pine (Pinus sylvestris) samples were used to construct diffuse reflectance mid-infrared Fourier transform (DRIFT-MIR) based partial least squares (PLS) calibrations on lignin, cellulose, and wood resin contents and densities. Calibrations for density, lignin, and cellulose were established for all wood species combined into one data set as well as for the separate Sitka spruce data set. Relationships between wood resin and MIR data were constructed for the Sitka spruce data set as well as the combined Scots pine and Sitka spruce data sets. Calibrations containing only five wavenumbers instead of spectral ranges 4000-2800 and 1800-700 cm(-1) were also established. In addition, chemical factors contributing to wood density were studied. Chemical composition and density assessed from DRIFT-MIR calibrations had R2 and Q2 values in the ranges of 0.6-0.9 and 0.6-0.8, respectively. The PLS models gave residual mean squares error of prediction (RMSEP) values of 1.6-1.9, 2.8-3.7, and 0.4 for lignin, cellulose, and wood resin contents, respectively. Density test sets had RMSEP values ranging from 50 to 56. Reduced amount of wavenumbers can be utilized to predict the chemical composition and density of a wood, which should allow measurements of these properties using a hand-held device. MIR spectral data indicated that low-density samples had somewhat higher lignin contents than high-density samples. Correspondingly, high-density samples contained slightly more polysaccharides than low-density samples. This observation was consistent with the wet chemical data.
取自50个不同克隆的491个西加云杉(Picea sitchensis)样本,以及24种不同的热带硬木和20个欧洲赤松(Pinus sylvestris)样本,被用于构建基于漫反射中红外傅里叶变换(DRIFT-MIR)的偏最小二乘法(PLS)校准模型,以测定木质素、纤维素、木材树脂含量及密度。将所有木材种类合并为一个数据集,以及针对单独的西加云杉数据集,分别建立了密度、木质素和纤维素的校准模型。针对西加云杉数据集以及欧洲赤松和西加云杉合并数据集,构建了木材树脂与中红外数据之间的关系。还建立了仅包含五个波数而非4000 - 2800和1800 - 700 cm(-1)光谱范围的校准模型。此外,研究了影响木材密度的化学因素。通过DRIFT-MIR校准评估的化学成分和密度,其R2和Q2值分别在0.6 - 0.9和0.6 - 0.8范围内。PLS模型对木质素、纤维素和木材树脂含量的预测残差均方根(RMSEP)值分别为1.6 - 1.9、2.8 - 3.7和0.4。密度测试集的RMSEP值范围为50至56。减少波数数量可用于预测木材的化学成分和密度,这应允许使用手持设备测量这些性质。中红外光谱数据表明,低密度样本的木质素含量略高于高密度样本。相应地,高密度样本比低密度样本含有稍多的多糖。这一观察结果与湿化学数据一致。