Chemical Imaging

Chemical imaging (as quantitative - chemical mapping) is the analytical capability to create a visual image of components distribution from simultaneous measurement of spectra and spatial, time information.

The main idea - for chemical imaging, the analyst may choose to take as many data spectrum measured at a particular chemical component in spatial location at time; this is useful for chemical identification and quantification. Alternatively, selecting an image plane at a particular data spectrum (PCA - multivariable data of wavelength, spatial location at time) can map the spatial distribution of sample components, provided that their spectral signatures are different at the selected data spectrum.

Software for chemical imaging is most specific and distinguished from chemical methods such as chemometrics.

Hyperspectral imaging is most often applied to either solid or gel samples, and has applications in chemistry, biology, medicine, pharmacy (see also for example: Chemical Imaging Without Dyeing), food science, biotechnology, agriculture and industry (see for example:NIR Chemical Imaging in Pharmaceutical Industry and Pharmaceutical Process Analytical Technology:). NIR, IR and Raman chemical imaging is also referred to as hyperspectral, spectroscopic, spectral or multispectral imaging (also see microspectroscopy). However, other ultra-sensitive and selective imaging techniques are also in use that involve either UV-visible or fluorescence microspectroscopy. Many imaging techniques can be used to analyze samples of all sizes, from the single molecule to the cellular level in biology and medicine, and to images of planetary systems in astronomy, but different instrumentation is employed for making observations on such widely different systems.

Imaging instrumentation is composed of three components: a radiation source to illuminate the sample, a spectrally selective element, and usually a detector array (the camera) to collect the images. When many stacked spectral channels (wavelengths) are collected for different locations of the microspectrometer focus on a line or planar array in the focal plane, the data is called hyperspectral; fewer wavelength data sets are called multispectral. The data format is called a hypercube. The data set may be visualized as a data cube, a three-dimensional block of data spanning two spatial dimensions (x and y), with a series of wavelengths (lambda) making up the third (spectral) axis. The hypercube can be visually and mathematically treated as a series of spectrally resolved images (each image plane corresponding to the image at one wavelength) or a series of spatially resolved spectra.

Many materials, both manufactured and naturally occurring, derive their functionality from the spatial distribution of sample components. For example, extended release pharmaceutical formulations can be achieved by using a coating that acts as a barrier layer. The release of active ingredient is controlled by the presence of this barrier, and imperfections in the coating, such as discontinuities, may result in altered performance. In the semi-conductor industry, irregularities or contaminants in silicon wafers or printed micro-circuits can lead to failure of these components. The functionality of biological systems is also dependent upon chemical gradients – a single cell, tissue, and even whole organs function because of the very specific arrangement of components. It has been shown that even small changes in chemical composition and distribution may be an early indicator of disease.

Any material that depends on chemical gradients for functionality may be amenable to study by an analytical technique that couples spatial and chemical characterization. To efficiently and effectively design and manufacture such materials, the ‘what’ and the ‘where’ must both be measured. The demand for this type of analysis is increasing as manufactured materials become more complex. Chemical imaging techniques is critical to understanding modern manufactured products and in some casses is a non-destructive technique so that samples are preserved for further testing.