Fingerprints Infrared Spectroscopy

To detect adulteration of wine. Bums et al. (2002) found that the ratios of acetylated to p-coumaroylated conjugates of nine characteristic anthocyanins served as useful parameters to determine grape cultivars for a type of wine. Our laboratory utilized mid-infrared spectroscopy combined with multivariate analysis to provide spectral signature profiles that allowed the chemically based classification of antho-cyanin-containing fruits juices and produced distinctive and reproducible chemical fingerprints, making it possible to discriminate different juices. " This new application of ATR-FTIR to detect adulteration in anthocyanin-containing juices and foods may be an effective and efficient method for manufacturers to assure product quality and authenticity. 

Infrared spectroscopy, which is recognised as an analytical technique with high selectivity and fingerprinting ability for molecular compounds, can be used... 

Infrared spectroscopy is an excellent tool in iminoborane chemistry, which readily permits, to distinguish between iminoboranes and nitrile-borane adducts and to identify monomeric and dimeric forms of iminoboranes. This event is due to the fact that the i>CN of CN multiple bonds absorbs outside the fingerprint region and can be considered to be a valuable group frequency even when mixed with other vibrational modes. In some cases other vibrations like NH, BH, B-halogen or B-S stretching modes are helpful for determining the structure of iminoboranes. 

The widespread use of infrared spectroscopy at that time was probably due to the observation that many chemical groups absorb in a very narrow range of frequency. Furthermore, within this frequency range, the observed frequency may be correlated to specific chemical structures. For example, aldehydes can be differentiated from ketones by the characteristic stretching frequency of the carbonyl group near 1700 cm-1, and the spectral pattern may be likened to a molecular fingerprint. ... 

Infrared spectroscopy is mainly used to tell what types of bonds are present in a molecule (using the functional group region, 1500-5000 cm-1) and whether two substances are identical or different (using the fingerprint region, 700-1500 cm-1). 

The main spectrometric identification techniques employed are gas chromatography/mass spectrometry (GC/MS) (13), liquid chromatography/tandem mass spectrometry (LC/MS(/MS)) (14), nuclear magnetic resonance (NMR) (11), and/or gas chromatography/Fourier transform infrared spectroscopy (GC/FL1R) (15). Each of these spectrometric techniques provides a spectrum that is characteristic of a chemical. MS and NMR spectra provide (detailed) structural information (like a fingerprint ), whereas an FUR spectrum provides information on functional groups. 

Infrared spectroscopy can provide conclusive proof that two compounds are either the same or different. The peaks in the fingerprint region depend on complex vibrations involving the entire molecule, and it is highly improbable for any two compounds (except enantiomers) to have precisely the same infrared spectrum. 

Infrared spectroscopy can be applied to V. the characterization of polymeric materials at various levels of sophistication. As most commonly used, it is a rapid and easy method for the qualitative identification of major components through the use of group frequencies and distinctive patterns in the fingerprint region of the spectrum. Let s look at a couple of examples. 

Fourier transform infrared spectroscopy (FTIR) provides a useful fingerprint of an organic molecule.19 FTIR is insufficiently specific for a de novo identification but provides useful starting data. Unfortunately, as... 

We have chosen as a simple model system the situation for which R H and R >phenyl. They both separately react very fast, and form single phase products easy to identify both by infrared spectroscopy ( i p.g at 2470 cm-l phenyl C-H fingerprint in the 700-800 cm l region) and by their very different layer repeat... 

The use of infrared spectroscopy, either through fingerprint characterisation or by functional group identification, is well established. IR vibrational spectroscopy has thus been applied in spectroelectrochemistry for quite some time. ° The possibility to establish the symmetry of a molecule has made IR-SEC a most valuable tool for mixed-valence chemistry, ° allowing intramolecular electron-transfer rates in the picosecond region to be assessed and electron-transfer isomers to be established. ... 

Identification of a drug substance is the fingerprinting of a drug material. This ensures that the correct material is utilized for biological testing, pharmaceutical investigation, and production. Infrared spectroscopy (Avith KBr pellet or Nujol mull) is commonly used for this purpose. UV spectroscopy Avith the material tested in aqueous or alcoholic solution is a convenient method of identification. 

Mid-infrared (IR) spectroscopy is a well-established technique for the identification and structural analysis of chemical compounds. The peaks in the IR spectrum of a sample represent the excitation of vibrational modes of the molecules in the sample and thus are associated with the various chemical bonds and functional groups present in the molecules. Thus, the IR spectrum of a compound is one of its most characteristic physical properties and can be regarded as its "fingerprint." Infrared spectroscopy is also a powerful tool for quantitative analysis as the amount of infrared energy absorbed by a compound is proportional to its concentration. However, until recently, IR spectroscopy has seen fairly limited application in both the qualitative and the quantitative analysis of food systems, largely owing to experimental limitations. 

I suggest the use of infrared spectroscopy for the laboratory tests. Samples of the him can be mounted in the path of the infrared light beam in an infrared spectrometer and the resulting infrared transmission spectra recorded. If your staff is not familiar with infrared spectroscopy or the interpretation of infrared transmission spectra, you might allow them some time to read some basic reference material on this technique. I can provide that for you. The transmission spectrum recorded by the spectrometer is like a fingerprint of the material in the path of the light. It is a pattern that is observed each time that material is tested. 

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