利用近红外光谱结合化学计量学预测澳大利亚美叶树核样本的含油量

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Rahul Sreekumar, N. Ashwath, D. Cozzolino, KB Walsh
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引用次数: 0

摘要

本研究旨在评估近红外光谱法估算油含量以及美叶树(Calophyllum inophyllum L.)果核样本中饼、树脂和残留物百分比的能力。从澳大利亚热带地区的不同地点(从罗克汉普顿到达尔文)采集果实,风干后人工将果核与果实分离。果核样品经烘箱烘干、粉碎(5-10 毫米)后,使用傅立叶变换 (FT) 近红外仪器收集其近红外光谱,同一批果核使用螺旋榨油机榨油。使用偏最小二乘(PLS)回归法建立了近红外光谱和参考数据之间的校准模型。交叉验证统计量(包括判定系数 (r2) 和交叉验证标准误差 (SECV))分别为:含油量 0.83(SECV:2.39%),饼 0.89(SECV:2.81%),树脂 0.88(SECV:1.92%),残渣 0.79(SECV:2.15%)。这项研究表明,近红外光谱法可作为一种替代、快速和低成本的技术,用于预测不同基因型美叶树的含油量、饼的百分比、树脂和残渣。应开展进一步研究,增加样本量和化学变化,并评估不同的榨油方法(如溶剂萃取),以提高校准模型的可靠性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Predicting oil content of Australian beauty leaf tree kernel samples using near infrared spectroscopy combined with chemometrics
This study was conducted to evaluate the ability of near infrared (NIR) spectroscopy to estimate oil content, and per cent of cake, resin and residue in beauty leaf tree ( Calophyllum inophyllum L.) kernel samples. Fruits were collected from various geographical locations of tropical Australia (from Rockhampton to Darwin) and air dried before the kernels were manually separated from the fruits. Kernel samples were oven dried, crushed (5–10 mm) and their NIR spectra collected using a Fourier transform (FT) NIR instrument where the same batch of kernels were used to extract oil using a screw press. Calibration models between the NIR spectra and reference data were developed using partial least squares (PLS) regression. The cross-validation statistics including the coefficient of determination (r2) and standard error in cross validation (SECV) were 0.83 (SECV: 2.39%) for oil content, 0.89 (SECV: 2.81%) for cake, 0.88 (SECV: 1.92%) for resin and 0.79 (SECV: 2.15%) for residue, respectively. This research showed that NIR spectroscopy can be used as an alternative, faster and low-cost technique to predict oil content, per cent of cake, resins and residues in various genotypes of beauty leaf tree. Further studies should be carried out to increase the sample size and chemical variation, as well as to evaluate different methods of oil extraction (e.g., solvent extraction) to improve the reliability of the calibration models.
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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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