LabSolutions IR - Options

The time course program is used to collect spectra in regular intervals and creates a time course dataset used to follow reactions as a function of time. Changes in peak height and peak area can be used to calculate values related to reaction kinetics.
Time course information is saved and displayed in 3D (bird's eye view) or in a contour plot. It can be recalculated by modifying parameters.
The scan interval is dependent on resolution, number of scans and mirror speed.
The fastest speed under a 16cm^-1 resolution and a mirror speed of 9mm/s is 7 seconds for 1 accumulated scan. The time course software includes a 3D Presentation function.

The Mapping software allows one to map absorption information on a sample surface as a function of position when using the SHIMADZU AIM-8800 Infrared Microscope.
Mapping parameters, such as the mapping range, the scan intervals, and the background positions, can be set on the composite images. Area mapping, line mapping and random mapping modes are supported.
In addition to mapping in the conventional transmittance and reflectance modes, micro-ATR mapping with an optional ATR objective is also available. From the acquired mapping data, it is possible to extract spectra and to perform calculations for functional-group mappings for specific peaks. The data can be displayed as 3D images or contour plots, or in spectral overlay mode. Mapping program includes a 3D Presentation function.

PLS (partial least squares) quantitation is a chemometrics method that, like multiple linear regression analysis, is widely used for the simultaneous quantitation of multiple components. The PLS quantitation program incorporates PLS I and PLS II methods. It is possible to display calculation values based on input values. PLS factors are based on "PRESS" values, loading vectors, and score values. Analysis can be performed on the regression equations obtained with the PLS method.

Usually, absorption bands in infrared spectra consist of overlapping peaks. The curve-fitting (peak-splitting) program can be used to separate absorption bands into individual peaks, separate peaks that have been influenced by hydrogen bonding, and identify the peaks of functional groups that are hidden by absorption bands. Six types of curves, such as Gaussian, Lorentzian, and Gaussian+Lorentzian, are available for separation analysis. The curve can be selected in accordance with the form of the peaks in the absorption band. The separated component peaks are displayed together with the resultant spectra, making it possible to accurately evaluate the separation.

* The 3D display program cannot control mapping measurements or AIM-8800 series infrared microscopes.

The 3D presentation program offers the following functionality

Changes the method of displaying data

• Data can be displayed in bird's eye view (3D), as an intensity distribution or using contour lines, as a spectral overlay, or rotated.

• Changes at specific wavenumbers can be isolated.
• Functions include data extraction, data points thinning, smoothing,zero-baseline, background correction, normalization, log conversion, first- or second-order derivative, and ATR correction.

• Spectra measured at fixed intervals, such as by repeated measurements, can be arranged consecutively to create 3D data.

When analyzing plastics, libraries are used to qualify their material properties. However, infrared spectra of plastics that have been denatured (have deteriorated) due to UV rays differ in shape from standard spectra, and qualifying them can sometimes be difficult.
To address this, UV-Damaged Plastics Library, so highly accurate qualification can be performed reflecting the state of deterioration.

Troubles caused by contaminants in Foods, Pharmaceuticals, Electricals and Electronics, Machineries, and more fields frequently happens. There are many kinds of contaminants. A part of plastics damaged by age, heating, and other factors is a reason of contaminants.

FTIR is suitable to identify such plastics contaminants. But the shape of infrared spectra of thermally damaged (oxidized) plastics is different from that of the original spectra. Therefore, they are not found in commercially polymer libraries or tend to show a similar but different spectrum even if they are found. For this reason, it is difficult to identify or qualitatively determine such plastics.

Thermal-Damaged Plastics Library contains spectra of plastics oxidized by heating. It is exceptionally effective for analysis of unknown samples such as thermally changed contaminants and defective products that commercial libraries cannot cover.