Near-infrared spectroscopy identification

Near-infrared spectroscopy is quickly becoming a preferred technique for the quantitative identification of an active component within a formulated tablet. In addition, the same spectroscopic measurement can be used to determine water content since the combination band of water displays a fairly large absorption band in the near-IR. In one such study [41] the concentration of ceftazidime pentahydrate and water content in physical mixtures has been determined. Due to the ease of sample preparation, near-IR spectra were collected on 20 samples, and subsequent calibration curves were constructed for active ingredient and water content. An interesting aspect of this study was the determination that the calibration samples must be representative of the production process. When calibration curves were constructed from laboratory samples only, significant prediction errors were noted. When, however, calibration curves were constructed from laboratory and production samples, realistic prediction values were determined ( 5%). 

S.H. Scafi and C. Pasquini, Identification of connterfeit drugs using near-infrared spectroscopy. Analyst 126, 2218-2224 (2001). 

M. Uhnschneider, G. Barth and E. Trenka, BnUding transferable cluster calibrations for the identification of different solid excipients with near-infrared spectroscopy. Drugs, 43, 71-73 (2000). 

W.L. Yoon, N.C. North, R.D. Jee and A.C. Moffat, Apphcation of a polar qnahflcation system in the near infrared identification and qualification of raw pharmaceutical excipients. In Davies, A.M.C. and Giangiacomo, R. (eds). Near Infrared Spectroscopy, Proceedings of the International Conference, 9th, Verona, Italy, June 13-18, 1999, NIR Publications, Chichester, UK, pp. 547-550, 2000. 

E. Hackmann, E. De Abreu and M. Santoro, Com starch identification by near infrared spectroscopy. Revista Brasileira de Ciencias Farmaceuticas, 35, 141-146 (1999). 

E. Hernandez Baltazar and B.G. ReboUar, Development of identification method by near-infrared spectroscopy Acetaminophen tablets, Revista Mexicana de Ciencias Farmaceuticas, 33, 42-47 (2002). 

Kaye, W. (1 954) Near infrared spectroscopy I. Spectral identification and analytical applications. Spectrochimica Acta 6,... 

A typical illustration of a PAT approach to quality improvement is the use of near-infrared spectroscopy (NIRS) to qualify excipients and active principles just before they enter the production process, for example, in dispensing. As discussed in the next part, near-infrared (NIR) spectra are informative about product structure and overall quality. Because with substances such as excipients the quality range was investigated at some time in the past and fixed into a calibration, NIR measurement can provide simultaneous nondestructive confirmation of the predominant physical and chemical parameters. This is an effective method of reducing uncertainties about possible causes of failure or poor quality during production. Each time a given excipient fails its quality requirements at the moment of use, immediate action can be taken. Control is possible before the risk of failure is increased. Such an approach is complementary to container-wise identification of materials on delivery to a warehouse. 

Ulmschneider, M., Barth, G., Reder, B., Vogel, A., and Schilling, D. (2000a), A transferable basic library for the identification of active substances using near-infrared spectroscopy, Pharm. Ind., 62(4), 301-304. 

Ulmschneider, M., and Pdnigault, E. (2000b), Direct identification of key-intermediates in containers using Fourier-Transform near-infrared spectroscopy through the protective polyethylene primary packaging, Analusis, 28,136-140. 

Ulmschneider, M., Wunenburger, A., and Pdnigault, E. (1999), Using near-infrared spectroscopy for the non invasive identification of five pharmaceutical active substances in sealed vials, Analusis, 27, 854-856. 

IR spectroscopy is not a very sensitive analytical tool and is, therefore, not well suited to the detection of small amounts of material. If, however, intermediates have intense and well-resolved IR absorptions, the progress of their chemical transformation can be followed by IR spectroscopy [83,88,91-93], Near-infrared spectroscopy, in combination with an acousto-optic tunable filter, can be sufficiently sensitive to enable the on-bead identification of polystyrene-bound di- and tripeptides, even if the peptides have very similar structures (e.g., Leu-Ala-Gly-PS and Val-Ala-Gly-PS) or differ only in their amino acid sequence (e.g., Leu-Val-Gly-PS and Val-Leu-Gly-PS) [94]. Special resins displaying an IR and Raman barcode have been developed, which may facilitate the deconvolution of combinatorial compound libraries prepared by the mix-and-split method [48]. 

Rasanen, E. Rantanen, J. Jorgensen, A. etal., Novel identification of pseudopolymorphic changes of theophylline during wet granulation using near infrared spectroscopy J. Pharm. 

Blanco, M. Eustaquio, A. Gonzalez, J.M. etal., Identification and quantitation assays for intact tablets of two related pharmaceutical preparations by reflectance near-infrared spectroscopy Validation of the procedure J. Pharm. Biomed. Anal. 2000, 22, 139-148. 

Laasonen, M., Harmia-Pulkkinen, T., Simard, C., Michiels, E., Rasanen, K., and Vuorela, H. 2002. Fast identification of Echinacea purpurea dried roots using near-infrared spectroscopy. Anal. Chem. 74, 2493 -2499. 

C. L. Identification of tablet formulations inside blister packages by near-infrared spectroscopy. Appl. Spectrosc. 1994, 48, 1272-76. 

The first step in recycling plastics is to sort the plastics by their resin type, or resin identification code. The resin identification code is a number assigned to a plastic product (or container) according to the type of polymers it is made of. While it was once common to directly use this code to identify the types of polymer(s) present, there are now other methods, such as near-infrared spectroscopy or density sorting approaches, that are used to sort mass quantities of plastic samples for recycling. (See Polymer Chemistry for more information on resin identification codes.)... 

The technique commonly used to separate household packaging wastes is sensor-based near-infrared spectroscopy that is based on the fact that NIR spectra of different types of polymers are quite distinct. NIR is able to provide rapid and reliable identification of various polymers especially the polyolefin group, polyethylene (PE), and polypropylene (PP). However, the objects which are too small or too big are not suitable for this technology. Another drawback is its inability to detect dark polymers, like automotive parts and some of the electronics waste, since radiation is absorbed completely. In practice, for packaging polymers, around half of the total input materials end up in residuals. 

Antec 96. Volume III. Conference proceedings. Indianapolis, 5th-10th May 1996, p.3131-5 FAST ON-LINE IDENTIFICATION OF PLASTICS BY NEAR-INFRARED SPECTROSCOPY FOR USE EV RECYCLING PROCESSES Eisenreich N Herz J Kull H Mayer W Rhoe T Fraunhofer-Institut fuer Chemische Technologie (SPE)... 

W. Kaye, Near-infrared Spectroscopy I. Spectral Identification and Analytical Applications , Spectrochim. Acta, 6, 257-287 (1954). 

This chapter has provided an introduction to a number of industrial (and related) fields which utilize infrared spectroscopy as an analytical technique. This method is widely used in the pharmaceutical industry for the qualitative and quantitative analysis of active and non-active ingredients. The food industry uses information from the mid- and near-infrared regions to carry out qualitative and quantitative analysis. Agricultural applications, such as the evaluation of grain, and the pulp and paper industries, were introduced and near-infrared spectroscopy was demonstrated as an important approach in these fields. Paints are variable mixtures and infrared spectroscopy provides an effective technique for the identification of the components of paints. Examples of environmental applications of infrared spectroscopy, including gases and pollutants, were also discussed. 

Antioxidant and antiozonant types most commonly used are aromatic amines or phenolics, though others are also employed, and can be determined using a variety of techniques such as UV-visible spectrophotometry, FTIR, near-infrared spectroscopy, TEC, GC (if the material can be volatilized), supercritical fluid chromatography, and HPLC. Identification of unknown antioxidants requires a separation technique like chromatography followed by mass spectrometry, NMR, ETIR, X-ray crystallography, etc. Standardized TEC methods are given in ASTM D3156 and... 

A brief introduction to conventional qualitative and quantitative analysis of water-based polymer dispersions is followed by a demonstration of the use of near-infrared spectroscopy for the rapid identification and determination of water content. Use of the BC AP chemo-metric software package is discussed for library searching to identify unknown tests. It is shown how within a few minutes various polymer dispersions (about 50%) can be identified and their water content determined to a plus or minus 0.2% degree of precision. 5 refs. 

M. A. Dempster, J. A. Jones, 1. R. Last, B. F. MacDonald, and K. A. Prebble, Identification of Tablet Formulations inside Blister Packages by Near-Infrared Spectroscopy, /. Pharm. Biomed. Anal, 11,1087 (1993). 

P. R. Moreno, S. E. Ryan, et al.. Identification of Lipid-Rich Plaques in Human Coronary Artery Autopsy Specimens by Near-Infrared Spectroscopy, J. Am. Coll Cardiol, 37(Suppl 2), A356 (2002). 

Miller and co-workers [21] used near-infrared spectroscopy to determine the microstructure and composition of polybutadiene and styrene-butadiene copolymers. The procedure was capable of distinguishing between cis-1,4, trans-1,4, and 1,2 butadiene groups. Geyer [22] has given details of a Bruker Spectrospin P/ID. 28 used for the identification of plastics using mid-infrared spectroscopy. 

Laasonen, M., et al. "Fast Identification of Echinaxea purpurea Dried Roots Using Near Infrared Spectroscopy." Analytical Chemistry, 74 2002,2493-2499. 

Saona-Rodriguez, L. E., et al. "Rapid Detection and Identification of Bacterial Strains by Fourier Transform Near-Infrared Spectroscopy." Journal of Agricultural and Food Chemistry, 49 2001,574r-579. 

Y. -K. Kwon, R. -K. Cho. Identification of the geographical origin of sesame seeds by near infrared spectroscopy. In Near Infrared Spectroscopy Proceedings of the 9th... 

M. R. Ellekjaer, T. Naes, T. Isaksson, R. Solheim. Identification of sausages with fat-substitutes using near infrared spectroscopy. In. Near Infrared spectroscopy Bridging the gap between data analysis and NIR applications. Edited by K. I. Hildrum, T. Isaksson, T. Naes, A. Tandberg 320-326,1992. 

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