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首页> 外文期刊>Journal of near infrared spectroscopy >Assessment of titratable acidity in fruit using short wave near infrared spectroscopy. Part A: establishing a detection limit based on model solutions
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Assessment of titratable acidity in fruit using short wave near infrared spectroscopy. Part A: establishing a detection limit based on model solutions

机译：使用短波近红外光谱法评估水果中的可滴定酸度。 A部分：基于模型解决方案建立检测极限

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摘要

Spectra (700-2500 nm) of citric acid dissolved in water possess features interpreted as being due to the dilution and perturbation of water OH stretching and combination bands (with the second and first overtones of OH stretching at 960nm and 1420nm, respectively, and a combination band of OH vibration at 2132 nm) and also to citric acid OH stretching and combination bands and citric acid CH_2 bands (first overtone of CH_2 stretching at 1680nm and a combination band of CH_2 at 2284nm). A searching window method was used to optimise the wavelength region for a partial least squares (PLS) regression model development (around 743-904 nm for the region below 1100 nm). Despite the apparent lack of information below 1100 nm, a PLS regression model based on transmission spectra (743-904nm) of pure citric acid-water mixtures (standard deviation=6.65g citric acid 100mL~(-1)) yielded a root mean square error of cross-validation (RMSECV) of 0.34% and correlation coefficient of determination (R_(cv)~2) = 0.998. However, if the matrix was varied with 0, 10 and 13% sucrose or fruit juice, RMSECV increased to 0.79%. This RMSECV value is proposed as a benchmark for attempts to assess titratable acidity of juice based on shortwave (700-1100nm) near infrared spectra of intact fruit collected using silicon diode array instrumentation.
机译：柠檬酸的光谱（700-2500 nm）具有溶解于水中的特征，这被解释为是由于水的OH拉伸和结合带的稀释和扰动（OH的第二和第一泛音分别在960nm和1420nm拉伸，以及氢键在2132 nm处的振动谱带）以及柠檬酸OH的伸展带，柠檬酸CH_2谱带和组合带（CH_2的第一泛音在1680nm处伸展和CH_2的组合带在2284nm处）。使用搜索窗口方法为部分最小二乘（PLS）回归模型开发优化了波长区域（低于1100 nm的区域约为743-904 nm）。尽管明显缺乏1100 nm以下的信息，但基于纯柠檬酸-水混合物（标准偏差= 6.65g柠檬酸100mL〜（-1））的透射光谱（743-904nm）的PLS回归模型产生均方根交叉验证误差（RMSECV）为0.34％，确定的相关系数（R_（cv）〜2）= 0.998。但是，如果基质中的蔗糖或果汁含量分别为0％，10％和13％，则RMSECV增至0.79％。提出该RMSECV值作为尝试基于硅二极管阵列仪器收集的完整水果的短波（700-1100nm）近红外光谱评估果汁可滴定酸度的基准。

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