Dataset and statistical tools for mathematical modeling of water desorption isotherms and infrared latent-spectral properties of cupuassu pulp

This dataset presents the water desorption isotherms and infrared spectral data of cupuassu pulp. The dataset includes desorption isotherms experimentally determined using the dynamic dewpoint isotherm (DDI) method, covering a water activity range from 0.1 to 1 at a temperature of 25 °C. Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy was used to spectrally characterize the cupuassu pulp samples. Preprocessing techniques, such as baseline correction, Standard Normal Variate (SNV), and Multiplicative Scatter Correction (MSC), were applied to enhance the quality of the spectral data. The dataset also provides MATLAB® R2023a files (The MathWorks Inc., Natick, MA, USA) where different sorption equations have been calibrated with the experimental desorption isotherms using the "Curve Fitting" tool and optimized for Gibbs free energy. Additionally, the dataset includes scripts for preprocessing FTIR spectra and performing Principal Component Analysis (PCA) with scores-loadings analysis, making it a comprehensive aid for researchers and decision-makers in the field. These tools are available for use in the food industry, providing a solid foundation for optimizing drying processes and improving the understanding of water sorption behavior in dehydrated cupuassu pulp. The dataset compiles the experimental desorption isotherms and infrared spectra in Excel sheets, organized according to experimental conditions and replicates.

本数据集收录了库普阿苏果肉（cupuassu pulp）的水分解吸等温线与红外光谱数据。数据集包含采用动态露点等温线（dynamic dewpoint isotherm, DDI）法实验测得的解吸等温线，其覆盖的水分活度范围为0.1至1，实验温度为25 ℃。研究人员采用衰减全反射傅里叶变换红外（ATR-FTIR）光谱技术对库普阿苏果肉样本进行了光谱表征。为提升光谱数据质量，本数据集应用了基线校正、标准正态变量变换（Standard Normal Variate, SNV）以及多元散射校正（Multiplicative Scatter Correction, MSC）等预处理技术。此外，数据集还附带MATLAB® R2023a格式文件（美国马萨诸塞州内蒂克市The MathWorks公司出品），其中已通过“曲线拟合”工具将不同吸附方程与实验解吸等温线进行校准，并针对吉布斯自由能完成了优化。本数据集同时包含FTIR光谱预处理脚本以及主成分分析（Principal Component Analysis, PCA）得分-载荷分析脚本，可为该领域的研究人员与决策者提供全面的辅助支持。这些工具可应用于食品工业，为优化干燥工艺、加深对脱水库普阿苏果肉水分吸附行为的理解提供坚实基础。本数据集将实验解吸等温线与红外光谱整理至Excel工作表中，并按照实验条件与重复实验进行分类归档。