Near-infrared spectroscopy determination

Winter, G., 2002a. New methods in monitoring of freeze drying near infrared spectroscopy determination of residue moisture during freeze drying. Proceedings of Protein Stability Confererwe, Breckenridge (CO), USA. 

M. Mitsumoto, S. Maeda, T. Mitsuhashi, S. Ozawa. Near-infrared spectroscopy determination of physical and chemical characteristics in beef cuts. J Food Sci 56 1493-1496, 1991. 

Infrared spectra of fats and oils are similar regardless of their composition. The principal absorption seen is the carbonyl stretching peak which is virtually identical for all triglyceride oils. The most common appHcation of infrared spectroscopy is the determination of trans fatty acids occurring in a partially hydrogenated fat (58,59). Absorption at 965 - 975 cm is unique to the trans functionaHty. Near infrared spectroscopy has been utilized for simultaneous quantitation of fat, protein, and moisture in grain samples (60). The technique has also been reported to be useful for instmmental determination of iodine value (61). 

The acetyl content of cellulose acetate may be calculated by difference from the hydroxyl content, which is usually determined by carbanilation of the ester hydroxy groups in pyridine solvent with phenyl isocyanate [103-71-9J, followed by measurement of uv absorption of the combined carbanilate. Methods for determining cellulose ester hydroxyl content by near-infrared spectroscopy (111) and acid content by nmr spectroscopy (112) and pyrolysis gas chromatography (113) have been reported. 

A critical study has been carried out in order to evaluate the capabilities of Near Infrared spectroscopy for the analysis of commercial pesticide formulations using transmittance measurements. In this sense, it has been evaluated the determination of active ingredients in agrochemical formulations after extraction with an appropriate solvent. 

Urbano Cuadrado, M. et al.. Comparison and joint use of near infrared spectroscopy and Fourier transform mid-infrared spectroscopy for the determination of wine parameters, Talanta, 66, 218, 2005. 

Jagemann K-U, Fischbacher C, Danzer K, Muller UA, Mertes B (1995) Application of near-infrared spectroscopy for non-invasive determination of blood/tissue glucose using neural networks. Z Physikal Chem 191 179... 

T. Khan, B. Soller, M. Naghavi, and W. Casscells, Tissue pH determination for the detection of metabol-ically active, inflamed vulnerable plaques using near-infrared spectroscopy an in-vitro feasibility study. Cardiol. 103, 10-16 (2005). 

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%). 

Instrumental Methods. Water determinations probably tend to work well on instrumental analysis because water is radically different from other substances. Methods such as NMR and near-infrared spectroscopy are both applied to confectionery products. 

Chen, Y., and Sorensen, L. K. (2000). Determination of marker constituents in radix Glycyr-rhizae and radix Notoginseng by near infrared spectroscopy. Fresenius. Anal. Chem. 367, 491 96. 

T. Norris, PK. Aldridge and S.S. Sekulic, Determination of end-points for polymorph conversions of crystalline organic compounds using on-line near-infrared spectroscopy. Analyst, 122, 549-552 (1997). 

C.E. Miller, B.E. Eichinger, T.W. Gurley and J.G. HermiUer, Determination of microstructure and composition in butadiene and styrene-butadiene polymers by near-infrared spectroscopy. Anal. Chem., 62, 1778-1785 (1990). 

C.E. Miller, Use of near-infrared spectroscopy to determine the composition of high-density/low-density polyethylene blend films, Appl. Spectrosc., 47, 222 (1993). 

X. Zhou, PA. Hines, K.C. White and M.W. Borer, Gas chromatography as a reference method for moisture determination by near-infrared spectroscopy, Anal. Chem., 70, 390-394 (1998). 

X. Zhou, P.A. Hines, and M.W. Borer, Moisture determination in hygroscopic drug substances by near infrared spectroscopy, J. Pharm. Biomed. Anal, 17, 219-225 (1998). 

O. Bemtsson, G. Zackrisson and G. Ostling, Determination of moisture in hard gelatin capsules using near-infrared spectroscopy applications to at-line process control of pharmaceutics, J. Pharm. Biomed. Anal, 15, 895-900 (1997). 

W. Bohme, W. Liekmeier, K. Horn and C. Wilhelm, Water determination by near infrared spectroscopy, Labor Praxis, 14, 86-89 (1990). 

R.M. Leasure and M.K. Gangwer, Near-infrared spectroscopy for in-process moisture determination of a potent active pharmaceutical iugredieut. Am. Pharm. Rev., 5(1), 103-104, 106, 108-109 (2002). 

M. Blanco and A. Peguero, An expeditious method for determining particle size distribution by near infrared spectroscopy comparison of PLS2 and ANN models, Talanta, 77(2), 647-651 (2008). 

M. Otsuka, F. Kato, Y. Matsuda and Y. Ozaki, Comparative determination of polymorphs of indomethacin in powders and tablets by chemometrical near-infrared spectroscopy and X-ray powder diffractometry, AAPS PharmSciTech, 4, 147-158 (2003). 

S. Sollinger and M. Voges, Simultaneous determination of the main constiments of viscose spinning solutions by visible near infrared spectroscopy, J. Near Infrared Spectrosc., 5, 135-148 (1997). 

L.G. and Novikova, G.A. (1992) Use of infrared spectroscopy for the determination of some properties of soil. In Murray, I. and Cowe, I.A. (eds) Making Light Work Advances in Near Infrared Spectroscopy. VCH, Weinheim, Germany, pp. 239-249. 

Reeves, J.B. Ill and Van Kessel, J.S. (2000) Determination of ammonium-N, moisture, total C and total N in dairy manures using a near infrared fibre-optic spectrometer. Journal of Near Infrared Spectroscopy 8, 151-160. 

Eor means of determination and quantification of the material porosity, different methods like mercury intrusion porosity, nitrogen gas adsorption, or inverse-size exclusion chromatography (ISEC) have been established and are nowadays routinely employed for that purpose. As an alternative to these well-known methods, a new approach based on near-infrared spectroscopy (NIR) for the characterization of monoliths is introduced in this chapter. 

S.2.2.2 ICLS Example 2 This example discusses the determination of sodium hydroxide (caustic) concentration in an aqueous sample containing sodium hydroxide and a salt using NIR spearoscopy. An example of this problem in a chemical process occurs in process scrubbers where CO, is converted to Na,CO and H,S is converted to Na,S in the presence of caustic. Although caustic and salts have no distinct bands in the NIR, it has been demonstrated that they perturb the shape of the water bands (Watson and Baughman, 1984 Phelan et al., 1989)-Near-infrared spectroscopy is therefore a viable measurement technique. This method also has ad tages as an analytical technique for process analysis because of the stability of the instrumentation and the ability to use fiber-optic probes to multiplex tlie interferometers and Icx ate them rcm< >tely from the processes. 

Other frequently used methods for determining fluoride include ion and gas chromatography [150,204,205] and aluminium monofluoride (AIF) molecular absorption spectrometry [206,207]. Less frequently employed methods include enzymatic [208], catalytic [209], polarographic [210] and voltammetric methods [211], helium microwave-induced [212] or inductively coupled plasma atomic emission spectrometry [213], electrothermal atomic absorption spectrometry [214], inductively coupled plasma-mass spectrometry [215], radioactivation [216], proton-induced gamma emission [217], near-infrared spectroscopy [218] and neutron activation analysis [219]. 

Hu, G. et al., Simultaneous determination of total flavones and total lactones in ginkgo extracts by near infrared spectroscopy, Fenxi Huaxue, 32, 1061, 2004. 

Frake P, Greenhlgh D, Grierson SM, Hempenstall JM, Rudd DR. Process control and end-point determination of fluid-bed granulation by application of near-infrared spectroscopy. Int J Pharm 1997 151 75-80. 

In many pharmaceutical companies, quality control departments already use NIRS to identify formulations. Figure 23 illustrates a PLS calibration for the active content determination in a low-dose tablet. Once identity testing is passed, it is straightforward to consider as a next step the determination of active content in intact tablets. Thus, qualitative and quantitative analysis can be performed by acquiring a single NIR spectrum per sample. Two analytical techniques are replaced by one—nondestructive—NIR measurement. For this purpose near-infrared spectroscopy is a fast and powerful alternative to traditional analysis, which only remains necessary as reference analytics. 

The investigation of the 300 MHz spectrum of poly(3-methyl-l -butene) indicates that the conclusions drawn by previous workers (2—4) concerning the structures of the crystalline and amorphous polymers are essentially correct the crystalline polymer being almost entirely of the 1,3-structure and the amorphous polymer being a mixture of both 1,2- and 1,3-structures. Further, it has indicated that this method is useful for analysis of the composition of the polymer. Quantitative composition determination, however, has not been carried out, since it is felt that the accuracy of the previous estimates utilizing near infrared spectroscopy were satisfactory. 

It is essential for soft drinks companies to assess their products on a batch-to-batch basis to ensure that there have not been errors in the syrup formulation, for example. This is possible with HPLC systems that can be used near to the production line and now require less-skilled staff to operate them than was the case 10 years ago. In the future it may be possible to use in-line monitoring of the product using infrared or near-infrared spectroscopy to ensure proper product formulation. In fact, FOSS offers a system at present that can determine a... 

Gonzalez-Martin, I., Hemandez-Hierro, J. M., Vivar-Quintana, A., Revilla, I., and Gonzalez-Perez, C. (2009). The application of near infrared spectroscopy technology and a remote reflectance fibre-optic probe for the determination of peptides in cheeses (cow s, ewe s, and goa t s) with different ripening times. Food Chem. 114,1564—1569. 

Norris, T. Aldridge, P.K. Sekulic, S.S., Determination of End-Points for Polymorph Conversions of Crystalline Organic Compounds Using On-Line Near-Infrared Spectroscopy Analyst 1997, 122, 549-552. 

Miller, C.E., Eichinger, B.E., Gurley, T.W. and Hermiller, J.G., Determination of Microstructure and Composition in Butadiene and Styrene-Butadiene Polymers by Near-Infrared Spectroscopy Anal. Chem. 1990, 62, 1778-1785. 

Jagemann, K.U., Fischbacher, C., Muller, U.A. and Mertes, B., Application of Near-Infrared Spectroscopy for Non-Invasive Determination of Blood-Tissue Glucose using Neural Networks Zeitschrift Phys. Chemie- Int. J. of Research in Physical Chemistry and Chemical Physics 1995, 191, 179-190. 

Zhou, G.X. Ge, Z. Dorwart, J. etal, Determination and differentiation of surface and bound water in drug substances by near infrared spectroscopy /. Pharm. Sci. 2003, 92, 1058-1065. 

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