A technique for analyzing IR imaging data based on two-trace two-dimensional (2T2D) correlation analysis is presented to extract pertinent information underlying spectroscopic imaging data. In 2T2D correlation mapping, each spectrum in hyperspectral data is individually compared with a reference spectrum to generate 2T2D asynchronous correlation intensity at the x- and y-coordinates on a 2T2D correlation map. Asynchronous correlation intensity develops only when the signal contribution from a certain species becomes even more significant in the sample spectrum compared with the reference spectrum. This feature can be advantageously utilized to examine molecular interaction or an intermediate form of the component present in a system of interest. 2T2D correlation mapping is examined using Fourier transform infrared (FT-IR) imaging data of polymer composites based on polypropylene grafted with maleic anhydride (MAPP) melt-mixed with silica spheres (SS). IR images derived by using conventional visualization based on a single wavenumber (i.e. 1713 cm−1) are dominated with the overwhelming IR absorbance induced by the normal MAPP species, making the identification of subtle but pertinent changes in the composite system difficult. A 2T2D correlation map derived from the MAPP/SS composite developed a significant asynchronous correlation intensity between the IR bands at 1695 and 1713 cm-1 around a specific region on the map where the MAPP and SS coexist. On the other hand, such a correlation pattern becomes less acute when the SS is modified with the octadecyldimethyl group to prevent the hydrogen bonding with the MAPP. It thus revealed that the silanol groups on the surface of the SS substantially interact with the MAPP via the development of the hydrogen bonding.

提出了一种基于二维二维（2T2D）相关分析的红外成像数据分析技术，以提取光谱成像数据的相关信息。在2T2D相关映射中，将高光谱数据中的每个光谱分别与参考光谱进行比较，以在2T2D相关图的x和y坐标处生成2T2D异步相关强度。异步相关强度仅在样品光谱中与参考光谱相比在某种光谱中来自特定物种的信号贡献变得更大时才会发展。该特征可以有利地用于检查分子相互作用或感兴趣的系统中存在的组分的中间形式。使用傅立叶变换红外（FT-IR）成像数据检查基于聚合物的复合材料的2T2D相关图谱，该聚合物复合材料的基础是聚丙烯与马来酸酐接枝的聚丙烯（MAPP）熔融混合有二氧化硅球（SS）。通过使用基于单个波数（即1713 cm-1）的常规可视化获得的IR图像被正常MAPP种类引起的压倒性IR吸收所支配，从而难以识别复合系统中的细微但相关的变化。源自MAPP / SS复合物的2T2D相关图在MAPP和SS共存的特定区域周围的1695和1713 cm-1的IR波段之间产生了显着的异步相关强度。另一方面，当用十八烷基二甲基基团修饰SS以防止氢与MAPP结合时，这种相关模式变得不那么尖锐。因此表明，SS表面上的硅烷醇基团通过氢键的发展基本上与MAPP相互作用。