Lopes M H, Barros A S, Pascoal Neto C, Rutledge D, Delgadillo I, Gil A M
Departamento de Química, Universidade de Aveiro, 3810-193 Aveiro, Portugal.
Biopolymers. 2001;62(5):268-77. doi: 10.1002/bip.1022.
A new approach is presented for the study of the variability of Portuguese reproduction cork using solid-state (13)C-NMR spectroscopy and photoacoustic (PAS) FTIR (FTIR-PAS) spectroscopy combined with chemometrics. Cork samples were collected from 12 different geographical sites, and their (13)C-cross-polarization with magic angle spinning (CP/MAS) and FTIR spectra were registered. A large spectral variability among the cork samples was detected by principal component analysis and found to relate to the suberin and carbohydrate contents. This variability was independent of the sample geographical origin but significantly dependent on the cork quality, thus enabling the distinction of cork samples according to the latter property. The suberin content of the cork samples was predicted using multivariate regression models based on the (13)C-NMR and FTIR spectra of the samples as reported previously. Finally, the relationship between the variability of the (13)C-CP/MAS spectra with that of the FTIR-PAS spectra was studied by outer product analysis. This type of multivariate analysis enabled a clear correlation to be established between the peaks assigned to suberin and carbohydrate in the FTIR spectrum and those appearing in the (13)C-CP/MAS spectra.
本文提出了一种新方法,用于研究葡萄牙再生软木的变异性,该方法采用固态(13)C-核磁共振光谱法和光声傅里叶变换红外光谱法(FTIR-PAS)并结合化学计量学。从12个不同地理地点采集软木样本,并记录其(13)C-魔角旋转交叉极化(CP/MAS)和傅里叶变换红外光谱。通过主成分分析检测到软木样本之间存在较大的光谱变异性,发现这与木栓质和碳水化合物含量有关。这种变异性与样本的地理来源无关,但显著依赖于软木质量,从而能够根据后者的特性区分软木样本。如先前报道,使用基于样本的(13)C-核磁共振光谱和傅里叶变换红外光谱的多元回归模型预测软木样本的木栓质含量。最后,通过外积分析研究了(13)C-CP/MAS光谱变异性与FTIR-PAS光谱变异性之间的关系。这种多元分析类型能够在傅里叶变换红外光谱中归属于木栓质和碳水化合物的峰与(13)C-CP/MAS光谱中出现的峰之间建立明确的相关性。