Near-infrared spectroscopy in the pharmaceutical industry.

Introduction Background and literature sources Specialized journals Internet addresses Previous reviews Fundamentals of the technique Principles of NIR spectroscopy NIR diffuse reflectance spectroscopy Operational procedures in the NIR Mathematical processing of signals Qualitative analysis Identification and qualification of raw materials and pharmaceutical preparations Determination of homogeneity Polymorphism and optical isomers Quantitative analysis Sample selection Multivariate calibration methods Determination of physical parameters Determination of moisture content Determination of active compounds and excipients Calibration transfer Miscellaneous applications Conclusions References

[1]  I. Last,et al.  Suitability of near-infrared methods for the determination of moisture in a freeze-dried injection product containing different amounts of the active ingredient. , 1993, Journal of pharmaceutical and biomedical analysis.

[2]  T. Næs,et al.  Locally weighted regression and scatter correction for near-infrared reflectance data , 1990 .

[3]  J. Drennen,et al.  Determination of film-coated tablet parameters by near-infrared spectroscopy. , 1995, Journal of pharmaceutical and biomedical analysis.

[4]  P. Corti,et al.  Application of near infrared reflectance spectroscopy of pharmaceutical quality control. II. Assay of cloxacillin benzatine in creams , 1990 .

[5]  J. Coello,et al.  Quantitation of the active compound and major excipients in a pharmaceutical formulation by near infrared diffuse reflectance spectroscopy with fibre optical probe , 1996 .

[6]  J. Drennen,et al.  Nondestructive near-infrared analysis of intact tablets for determination of degradation products. , 1990, Journal of pharmaceutical sciences.

[7]  P. Gemperline,et al.  Near-IR Detection of Polymorphism and Process-Related Substances , 1996 .

[8]  D. T. Witte,et al.  Vibrational spectrometry for the assessment of active substance in metoprolol tablets: a comparison between transmission and diffuse reflectance near-infrared spectrometry. , 1996, Journal of pharmaceutical and biomedical analysis.

[9]  B. Kowalski,et al.  Review of Chemometrics Applied to Spectroscopy: 1985-95, Part I , 1996 .

[10]  Beata Walczak,et al.  Spectral transformation and wavelength selection in near-infrared spectra classification , 1995 .

[11]  R. Lodder,et al.  Analysis of Intact Tablets by Near-Infrared Reflectance Spectrometry , 1988 .

[12]  W Plugge,et al.  Near-infrared spectroscopy as a tool to improve quality. , 1996, Journal of pharmaceutical and biomedical analysis.

[13]  Jerome J. Workman,et al.  Interpretive Spectroscopy for Near Infrared , 1996 .

[14]  J. Sinsheimer,et al.  Near-infrared spectroscopy of amine salts. , 1966, Journal of pharmaceutical sciences.

[15]  J. Sinsheimer,et al.  Pharmaceutical applications of the near infrared determination of water. , 1968, Journal of pharmaceutical sciences.

[16]  F. Rius,et al.  Selection of the best calibration sample subset for multivariate regression. , 1996, Analytical chemistry.

[17]  Solid-State Matrix Effects on Near-Infrared Spectra: Interactions of Glucose and Sucrose with Amylose, Amylopectin, Cellulose, and Starch—Implications for Near-Infrared Calibrations , 1996 .

[18]  H. Mark Use of Mahalanobis distances to evaluate sample preparation methods for near-infrared reflectance analysis , 1987 .

[19]  P. K. Aldridge,et al.  Automated system for the on-line monitoring of powder blending processes using near-infrared spectroscopy. Part I. System development and control. , 1996, Journal of pharmaceutical and biomedical analysis.

[20]  S. Delwiche,et al.  Temperature Sensitivity of Near-Infrared Scattering Transmittance Spectra of Water-Adsorbed Starch and Cellulose , 1992 .

[21]  Paul H. Garthwaite,et al.  Transformations to reduce the effect of particle size in near-infrared spectra , 1988 .

[22]  Determination of ascorbic acid in pharmaceutical preparations by near infrared reflectance spectroscopy. , 1993, Talanta.

[23]  James K. Drennen,et al.  Near-Infrared Spectroscopy: Applications in the Analysis of Tablets and Solid Pharmaceutical Dosage Forms , 1995 .

[24]  N. Draper,et al.  Applied Regression Analysis , 1966 .

[25]  J. Reeves Efforts to Quantify Changes in Near-Infrared Spectra Caused by the Influence of Water, pH, Ionic Strength, and Differences in Physical State , 1995 .

[26]  J. Drennen,et al.  Near-infrared spectrometry of microorganisms in liquid pharmaceuticals. , 1990, Analytical chemistry.

[27]  D. W. Vomhof,et al.  Determination of moisture in starch hydrolyzates by near-infrared and infrared spectrophotometry , 1970 .

[28]  Desire L. Massart,et al.  Comparison of multivariate methods based on latent vectors and methods based on wavelength selection for the analysis of near-infrared spectroscopic data , 1995 .

[29]  J. Friedman,et al.  Projection Pursuit Regression , 1981 .

[30]  James W. McNicol,et al.  A designed experiment for the examination of techniques used in the analysis of near-infrared spectra. Part 2. Derivation and testing of regression models , 1985 .

[31]  J. Shenk,et al.  New Standardization and Calibration Procedures for Nirs Analytical Systems , 1991 .

[32]  Determination of five components in a pharmaceutical formulation using near infrared reflectance spectrophotometry. , 1987, The Analyst.

[33]  Tormod Næs,et al.  Near Infra-Red Spectroscopy: Bridging the Gap between Data Analysis and NIR Applications , 1995 .

[34]  Bruce R. Kowalski,et al.  Nonlinear calibration using projection pursuit regression: application to an array of ion-selective electrodes , 1988 .

[35]  P. Geladi,et al.  Linearization and Scatter-Correction for Near-Infrared Reflectance Spectra of Meat , 1985 .

[36]  Bruce R. Kowalski,et al.  Piece-Wise Multiplicative Scatter Correction Applied to Near-Infrared Diffuse Transmittance Data from Meat Products , 1993 .

[37]  J. Coello,et al.  Effect of Data Preprocessing Methods in Near-Infrared Diffuse Reflectance Spectroscopy for the Determination of the Active Compound in a Pharmaceutical Preparation , 1997 .

[38]  G. Puchwein Selection of calibration samples for near-infrared spectrometry by factor analysis of spectra , 1988 .

[39]  Near- versus Mid-Infrared Spectroscopy: Relationships between Spectral Changes Induced by Water and Relative Information Content of the Two Spectral Regions in Regard to High-Moisture Samples , 1995 .

[40]  D. L. Massart,et al.  Calibration line adjustment to facilitate the use of synthetic calibration samples in near-infrared spectrometric analysis of pharmaceutical production samples , 1995 .

[41]  E. V. Thomas,et al.  COMPARISON OF MULTIVARIATE CALIBRATION METHODS FOR QUANTITATIVE SPECTRAL ANALYSIS , 1990 .

[42]  P. Gemperline,et al.  Raw materials testing using soft independent modeling of class analogy analysis of near-infrared reflectance spectra , 1989 .

[43]  Chris W. Brown,et al.  Near-IR Spectroscopic Determination of NaCl in Aqueous Solution , 1992 .

[44]  S. Lonardi,et al.  Near-infrared reflectance spectrometry in the determination of the physical state of primary materials in pharmaceutical production , 1995 .

[45]  Jordi Coello,et al.  Strategies for Constructing the Calibration Set in theDetermination of Active Principles in Pharmaceuticals by Near InfraredDiffuse Reflectance Spectrometry , 1997 .

[46]  Paul J. Gemperline,et al.  Classification of Near-Infrared Spectra Using Wavelength Distances: Comparison to the Mahalanobis Distance and Residual Variance Methods , 1995 .

[47]  B. Osborne Comparative study of methods of linearisation and scatter correction in near infrared reflectance spectroscopy , 1988 .

[48]  K. Prebble,et al.  Some applications of near-infrared reflectance analysis in the pharmaceutical industry. , 1993, Journal of pharmaceutical and biomedical analysis.

[49]  J. Drennen,et al.  Advances and Perspectives in Near-Infrared Spectrophotometry , 1991 .

[50]  M A Dempster,et al.  Near-infrared methods for the identification of tablets in clinical trial supplies. , 1993, Journal of pharmaceutical and biomedical analysis.

[51]  G. Nilsson,et al.  Quantitative determination of sulfasalazine by near-infrared spectroscopy and multivariate analysis in reflectance mode with a fibre-optic probe. , 1995, Journal of pharmaceutical and biomedical analysis.

[52]  P. Williams,et al.  Near-Infrared Technology in the Agricultural and Food Industries , 1987 .

[53]  E. Stark,et al.  Near-Infrared Analysis (NIRA): A Technology for Quantitative and Qualitative Analysis , 1986 .

[54]  S. Lonardi,et al.  Application of near-infrared reflectance spectrometry to the analytical control of pharmaceuticals: ranitidine hydrochloride tablet production. , 1996, The Analyst.

[55]  T. Hirschfeld,et al.  A New Method for Obtaining Individual Component Spectra from Those of Complex Mixtures , 1984 .

[56]  Application of near-infrared reflectance analysis to the integrated control of antibiotic tablet production , 1995 .

[57]  R. Barnes,et al.  On the Scales Associated with Near-Infrared Reflectance Difference Spectra , 1995 .

[58]  F González,et al.  Quality control in manufacturing process by near infrared spectroscopy. , 1995, Journal of pharmaceutical and biomedical analysis.

[59]  K. Martin Recent Advances in Near-Infrared Reflectance Spectroscopy , 1992 .

[60]  Control analysis of a pharmaceutical preparation by near-infrared reflectance spectroscopy. A comparative study of a spinning module and fibre optic probe , 1994 .

[61]  F. W. Langkilde,et al.  Identification of celluloses with Fourier-transform (FT) mid-infrared, FT-Raman and near-infrared spectrometry. , 1995, Journal of pharmaceutical and biomedical analysis.

[62]  Flow-injection determination of water in organic solvents by near-infrared spectrometry , 1993 .

[63]  W Plugge,et al.  Near-infrared spectroscopy as an alternative to assess compliance of ampicillin trihydrate with compendial specifications. , 1993, Journal of pharmaceutical and biomedical analysis.

[64]  T. B. Blank,et al.  Transfer of Near-Infrared Multivariate Calibrations without Standards. , 1996, Analytical chemistry.

[65]  I. Last,et al.  Development and transferability of near-infrared methods for determination of moisture in a freeze-dried injection product. , 1993, Journal of pharmaceutical and biomedical analysis.

[66]  P. Kubelka Ein Beitrag zur Optik der Farban striche , 1931 .

[67]  Near infrared reflectance spectroscopy applied to pharmaceutical quality control. Identification and assay of cephalosporins , 1991 .

[68]  Robert A. Lodder,et al.  Detection of capsule tampering by near-infrared reflectance analysis , 1987 .

[69]  Desire L. Massart,et al.  Modified Algorithm for Standardization of Near-Infrared Spectrometric Instruments , 1995 .

[70]  A. Zappalà,et al.  Rapid near IR spectrophotometric determination of meprobamate in pharmaceutical preparations. , 1977, Journal of pharmaceutical sciences.

[71]  Bruce R. Kowalski,et al.  Temperature-compensating calibration transfer for near-infrared filter instruments , 1993 .

[72]  Chris W. Brown,et al.  Near-IR fiber-optic probe for electrolytes in aqueous solution , 1993 .

[73]  S. Lonardi,et al.  APPLICATION OF NIRS TO THE CONTROL OF PHARMACEUTICALS IDENTIFICATION AND ASSAY OF SEVERAL PRIMARY MATERIALS , 1992 .

[74]  H. Mark,et al.  Qualitative near-infrared reflectance analysis using Mahalanobis distances , 1985 .

[75]  S. C. Johnson,et al.  Comparison of Mid-IR with NIR in Polymer Analysis , 1993 .

[76]  Chris W. Brown,et al.  Spectroscopic Measurement of NaCl and Seawater Salinity in the Near-IR Region of 680–1230 nm , 1993 .

[77]  THE AMERICAN ASSOCIATION OF CEREAL CHEMISTS. , 1942, Science.

[78]  Terje V. Karstang,et al.  Optimized scaling. A novel approach to linear calibration with closed data sets , 1992 .

[79]  J. Coello,et al.  Determination of water in ferrous lactate by near infrared reflectance spectroscopy with a fibre-optic probe. , 1997, Journal of pharmaceutical and biomedical analysis.

[80]  P. Gemperline,et al.  Combination of the Mahalanobis distance and residual variance pattern recognition techniques for classification of near-infrared reflectance spectra , 1990 .

[81]  Jerome J. Workman,et al.  Handbook of Near Infrared Analysis, Practical spectroscopy Series, vol. 13Marcel Dekker , 1992 .

[82]  H. Mark Chemometrics in near-infrared spectroscopy , 1989 .

[83]  J. Ludvík,et al.  Determination of water in acetonitrile, propionitrile, dimethylformamide and tetrahydrofuran by infrared and near-infrared spectrometry , 1988 .

[84]  T. Isaksson,et al.  Determination of Particle Size in Powders by Scatter Correction in Diffuse Near-Infrared Reflectance , 1988 .

[85]  P. Gemperline,et al.  Spectroscopic calibration and quantitation using artificial neural networks , 1990 .

[86]  Chris W. Brown,et al.  Near-Infrared Mixture Identification by an Automated Library Searching Method: A Multivariate Approach , 1992 .

[87]  Paul J. Gemperline,et al.  Nonlinear multivariate calibration using principal components regression and artificial neural networks , 1991 .

[88]  Beata Walczak,et al.  Non-linear modelling of chemical data by combinations of linear and neural net methods , 1993 .

[89]  Bruce R. Kowalski,et al.  Calibration Transfer and Measurement Stability of Near-Infrared Spectrometers , 1992 .

[90]  Belle R. Upadhyaya,et al.  Chemometric Data Analysis Using Artificial Neural Networks , 1993 .

[91]  B. Kowalski,et al.  Multivariate instrument standardization , 1991 .

[92]  W Plugge,et al.  The use of near infrared spectroscopy in the quality control laboratory of the pharmaceutical industry. , 1992, Journal of pharmaceutical and biomedical analysis.

[93]  T. Hirschfeld,et al.  Unique-sample selection via near-infrared spectral subtraction. , 1985, Analytical chemistry.

[94]  Christopher T. Rhodes,et al.  Pharmaceutical Uses of Near-Infrared Spectroscopy , 1995 .

[95]  T. Næs,et al.  The Effect of Multiplicative Scatter Correction (MSC) and Linearity Improvement in NIR Spectroscopy , 1988 .

[96]  J. Drennen,et al.  Near-infrared spectroscopic characterization of pharmaceutical powder blends. , 1996, Journal of pharmaceutical and biomedical analysis.

[97]  M. Forina,et al.  Transfer of calibration function in near-infrared spectroscopy , 1995 .

[98]  R. Barnes,et al.  Standard Normal Variate Transformation and De-Trending of Near-Infrared Diffuse Reflectance Spectra , 1989 .

[99]  R. Lodder,et al.  Quantile BEAST Attacks the False-Sample Problem in Near-Infrared Reflectance Analysis , 1988 .

[100]  D. Massart Chemometrics: A Textbook , 1988 .

[101]  Chris W. Brown,et al.  Near-IR Fiber-Optic Temperature Sensor , 1993 .

[102]  E. Lipp Near-Infrared Spectroscopy of Silicon-Containing Materials , 1992 .

[103]  S. Han,et al.  Determination of SB 216469-S during tablet production using near-infrared reflectance spectroscopy. , 1996, Journal of pharmaceutical and biomedical analysis.

[104]  T. Norris,et al.  Determination of end-points for polymorph conversions of crystalline organic compounds using on-line near-infrared spectroscopy , 1997 .

[105]  Desire L. Massart,et al.  Calibration transfer across near-infrared spectrometric instruments using Shenk's algorithm: effects of different standardisation samples , 1994 .

[106]  E. Ciurczak Uses of near-infrared spectroscopy in pharmaceutical analysis , 1987 .

[107]  P. K. Aldridge,et al.  On-line monitoring of powder blend homogeneity by near-infrared spectroscopy. , 1996, Analytical chemistry.

[108]  D. Massart,et al.  Standardization of near-infrared spectrometric instruments , 1996 .

[109]  Paul J. Gemperline,et al.  A near-infrared reflectance analysis method for the noninvasive identification of film-coated and non-film-coated, blister-packed tablets , 1995 .

[110]  T. Næs,et al.  Locally Weighted Regression in Diffuse Near-Infrared Transmittance Spectroscopy , 1992 .

[111]  R. Lodder,et al.  Detection of Subpopulations in Near-Infrared Reflectance Analysis , 1988 .

[112]  R. E. Aries,et al.  A Demonstration of Truly Remote In-Line Near-Infrared Process Analysis , 1992 .