偏最小二乘回归
拉曼光谱
近红外光谱
光谱学
生物系统
校准
乳清蛋白
分析化学(期刊)
大豆油
植物蛋白
化学
材料科学
计算机科学
数学
色谱法
食品科学
机器学习
光学
统计
生物
物理
量子力学
作者
Matthew V. Schulmerich,Michael J. Walsh,Matthew K. Gelber,Rong Kong,Matthew R. Kole,Sandra K. Harrison,John D. McKinney,D. Brian Thompson,Linda S. Kull,Rohit Bhargava
摘要
The soybean industry requires rapid, accurate, and precise technologies for the analyses of seed/grain constituents. While the current gold standard for nondestructive quantification of economically and nutritionally important soybean components is near-infrared spectroscopy (NIRS), emerging technology may provide viable alternatives and lead to next generation instrumentation for grain compositional analysis. In principle, Raman spectroscopy provides the necessary chemical information to generate models for predicting the concentration of soybean constituents. In this communication, we explore the use of transmission Raman spectroscopy (TRS) for nondestructive soybean measurements. We show that TRS uses the light scattering properties of soybeans to effectively homogenize the heterogeneous bulk of a soybean for representative sampling. Working with over 1000 individual intact soybean seeds, we developed a simple partial least-squares model for predicting oil and protein content nondestructively. We find TRS to have a root-mean-standard error of prediction (RMSEP) of 0.89% for oil measurements and 0.92% for protein measurements. In both calibration and validation sets, the predicative capabilities of the model were similar to the error in the reference methods.
科研通智能强力驱动
Strongly Powered by AbleSci AI