近红外光谱法预测苏地松心材增量岩心中芪的含量

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2016-12-01 DOI:10.1255/jnirs.1225
Susanna Pulkka, V. Segura, A. Harju, T. Tapanila, J. Tanner, L. Pâques, J. Charpentier
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引用次数: 4

摘要

研究一种高通量、无损的方法定量测定苏格兰松(Pinus sylvestris L.)心材中二苯乙烯类化合物的含量,是培育胸材耐腐性的必要条件。本研究采用近红外(NIR)光谱对大量实心木材增量岩心样品进行校正,以预测二苯乙烯松香素(PS)、二苯乙烯单甲醚(PSM)及其总和(STB)的含量。所得到的模型在独立验证集中呈现出相当准确的预测,R2V值在0.79和0.91之间。模型的准确性很大程度上取决于被校准的化学物质,PS的精度最低,PSM的精度中等,STB的精度最高。研究了每个样品收集一个,两个或更多(最多五个)光谱对校准模型的影响,发现平均多个光谱产生更好的精度,因为它可以解释木材沿环内和环间增量核心的异质性。对光谱进行了几种统计预处理,并在校准前自动选择波数。在没有自动选择波数的情况下,归一化光谱的一阶导数产生了最好的精度,而在自动选择波数之后,没有任何特定的统计预处理似乎比任何其他预处理产生更好的结果。最后,波数的自动选择略微提高了模型对所有特征的准确性。这些结果表明,近红外光谱作为一种高通量和非破坏性的表型技术,在树木育种中具有提高心材耐腐性的潜力。
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Prediction of Stilbene Content from Heartwood Increment Cores of Scots Pine Using near Infrared Spectroscopy Methodology
High-throughput and non-destructive methods for quantifying the content of the stilbene compounds of Scots pine (Pinus sylvestris L.) heartwood are needed in the breeding for decay resistance of heartwood timber. In this study, near infrared (NIR) spectroscopy calibrations were developed for a large collection of solid heartwood increment core samples in order to predict the amount of the stilbene pinosylvin (PS), its monomethyl ether (PSM) and their sum (STB). The resulting models presented quite accurate predictions in an independent validation set with R2V values ranging between 0.79 and 0.91. The accuracy of the models strongly depended on the chemical being calibrated, with the lowest accuracy for PS, intermediate accuracy for PSM and highest accuracy for STB. The effect of collecting one, two or more (up to five) spectra per sample on the calibration models was studied and it was found that averaging multiple spectra yielded better accuracy as it may account for the heterogeneity of wood along the increment core within and between rings. Several statistical pretreatments of the spectra were tested and an automatic selection of wavenumbers prior to calibration. Without the automatic selection of wavenumbers, a first derivative of normalised spectra yielded the best accuracies, whereas after the automatic selection of wavenumbers, no particular statistical pretreatment appeared to yield better results than any other. Finally, the automatic selection of wavenumbers slightly improved the accuracy of the models for all traits. These results demonstrate the potential of NIR spectroscopy as a high-throughput and non-destructive phenotyping technique in tree breeding for the improvement of decay resistance in heartwood timber.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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