Abstract
© 2016 The Author(s)
PDF Article© 2016 The Author(s)
PDF Article
B. Swarbrick, “Review: Advances in Instrumental Technology, Industry Guidance and Data Management Systems Enabling the Widespread Use of Near Infrared Spectroscopy in the Pharmaceutical/biopharmaceutical Sector”. J. Near Infrared Spectrosc2014; 22(3): 157–168.
B. Grout, “Application of Near Infrared Conformance Trending for Material Quality, Container Consistency and Minimisation of Process Risk”. J. Near Infrared Spectrosc2014; 22(3): 169–178.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
C.N. Silla and A.A. Freitas, “A Survey of Hierarchical Classification across Different Application Domains”. Data Min. Knowl. Discov2011; 22(1–2): 31–72.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
J. Luypaert, D.L. Massart, and Y. Vander Heyden, “Near-Infrared Spectroscopy Applications in Pharmaceutical Analysis”. Talanta2007; 72(3): 865–883.
M.A. Druy, “Molecular Spectroscopy Workbench Applications for Mid-IR Spectroscopy in the Pharmaceutical Process Environment”. Spectroscopy2004; 19(2): 60–63.
T.-F. Wu, C.-J. Lin, and R.C. Weng, “Probability Estimates for Multi-Class Classification by Pairwise Coupling”. J. Mach. Learn. Res2004; 5: 975–1005.
M. Andre, “Multivariate Analysis and Classification of the Chemical Quality of 7-Aminocephalosporanic Acid Using Near-Infrared Reflectance Spectroscopy”. Anal. Chem2003; 75(14): 3460–3467.
M. Blanco and A. Villar, “Development and Validation of a Method for the Polymorphic Analysis of Pharmaceutical Preparations Using near Infrared Spectroscopy”. J. Pharm. Sci2003; 92(4): 823–830.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
M. Blanco and M.A. Romero, “Near-Infrared Libraries in the Pharmaceutical Industry: A Solution for Identity Confirmation”. Analyst2001; 126(12): 2212–2217.
K. Krämer and S. Ebel, “Application of NIR Reflectance Spectroscopy for the Identification of Pharmaceutical Excipients”. Anal. Chim. Acta2000; 420(2): 155–161.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
K. Kreft, B. Kozamernik, and U. Urleb, “Qualitative Determination of Polyvinylpyrrolidone Type by near-Infrared Spectrometry”. Int. J. Pharm1999; 177(1): 1–6.
W.B. Mroczyk and K.M. Michalski, “Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS”. Comput. Chem1998; 22(1): 119–122.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
R.W. Kennard and L.A. Stone, “Computer Aided Design of Experiments”. Technometrics1969; 11(1): 137–148.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
M. Andre, “Multivariate Analysis and Classification of the Chemical Quality of 7-Aminocephalosporanic Acid Using Near-Infrared Reflectance Spectroscopy”. Anal. Chem2003; 75(14): 3460–3467.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
M. Blanco and A. Villar, “Development and Validation of a Method for the Polymorphic Analysis of Pharmaceutical Preparations Using near Infrared Spectroscopy”. J. Pharm. Sci2003; 92(4): 823–830.
M. Blanco and M.A. Romero, “Near-Infrared Libraries in the Pharmaceutical Industry: A Solution for Identity Confirmation”. Analyst2001; 126(12): 2212–2217.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
S. Liu, H. Yi, L. Chia, and D. Rajan, “Adaptive Hierarchical Multi-Class SVM Classifier for Texture-Based Image Classification”. In: Multimedia and Expo (ICME), IEEE International Conference on. Amsterdam, the Netherlands: 6–8 July 2005. doi: 10.1109/ICME.2005.1521640 .
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
M.A. Druy, “Molecular Spectroscopy Workbench Applications for Mid-IR Spectroscopy in the Pharmaceutical Process Environment”. Spectroscopy2004; 19(2): 60–63.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
K. Krämer and S. Ebel, “Application of NIR Reflectance Spectroscopy for the Identification of Pharmaceutical Excipients”. Anal. Chim. Acta2000; 420(2): 155–161.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
K. Varmuza and P. Filzmoser, Introduction to Multivariate Statistical Analysis in Chemometrics, Boca Raton, FL: CRC Press, 2009.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
C.N. Silla and A.A. Freitas, “A Survey of Hierarchical Classification across Different Application Domains”. Data Min. Knowl. Discov2011; 22(1–2): 31–72.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
B. Grout, “Application of Near Infrared Conformance Trending for Material Quality, Container Consistency and Minimisation of Process Risk”. J. Near Infrared Spectrosc2014; 22(3): 169–178.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
R.W. Kennard and L.A. Stone, “Computer Aided Design of Experiments”. Technometrics1969; 11(1): 137–148.
K. Kreft, B. Kozamernik, and U. Urleb, “Qualitative Determination of Polyvinylpyrrolidone Type by near-Infrared Spectrometry”. Int. J. Pharm1999; 177(1): 1–6.
K. Krämer and S. Ebel, “Application of NIR Reflectance Spectroscopy for the Identification of Pharmaceutical Excipients”. Anal. Chim. Acta2000; 420(2): 155–161.
K. Kreft, B. Kozamernik, and U. Urleb, “Qualitative Determination of Polyvinylpyrrolidone Type by near-Infrared Spectrometry”. Int. J. Pharm1999; 177(1): 1–6.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
T.-F. Wu, C.-J. Lin, and R.C. Weng, “Probability Estimates for Multi-Class Classification by Pairwise Coupling”. J. Mach. Learn. Res2004; 5: 975–1005.
S. Liu, H. Yi, L. Chia, and D. Rajan, “Adaptive Hierarchical Multi-Class SVM Classifier for Texture-Based Image Classification”. In: Multimedia and Expo (ICME), IEEE International Conference on. Amsterdam, the Netherlands: 6–8 July 2005. doi: 10.1109/ICME.2005.1521640 .
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
J. Luypaert, D.L. Massart, and Y. Vander Heyden, “Near-Infrared Spectroscopy Applications in Pharmaceutical Analysis”. Talanta2007; 72(3): 865–883.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
J. Luypaert, D.L. Massart, and Y. Vander Heyden, “Near-Infrared Spectroscopy Applications in Pharmaceutical Analysis”. Talanta2007; 72(3): 865–883.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
W.B. Mroczyk and K.M. Michalski, “Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS”. Comput. Chem1998; 22(1): 119–122.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
W.B. Mroczyk and K.M. Michalski, “Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS”. Comput. Chem1998; 22(1): 119–122.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
S. Liu, H. Yi, L. Chia, and D. Rajan, “Adaptive Hierarchical Multi-Class SVM Classifier for Texture-Based Image Classification”. In: Multimedia and Expo (ICME), IEEE International Conference on. Amsterdam, the Netherlands: 6–8 July 2005. doi: 10.1109/ICME.2005.1521640 .
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
M. Blanco and M.A. Romero, “Near-Infrared Libraries in the Pharmaceutical Industry: A Solution for Identity Confirmation”. Analyst2001; 126(12): 2212–2217.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
C.N. Silla and A.A. Freitas, “A Survey of Hierarchical Classification across Different Application Domains”. Data Min. Knowl. Discov2011; 22(1–2): 31–72.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
R.W. Kennard and L.A. Stone, “Computer Aided Design of Experiments”. Technometrics1969; 11(1): 137–148.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
B. Swarbrick, “Review: Advances in Instrumental Technology, Industry Guidance and Data Management Systems Enabling the Widespread Use of Near Infrared Spectroscopy in the Pharmaceutical/biopharmaceutical Sector”. J. Near Infrared Spectrosc2014; 22(3): 157–168.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
K. Kreft, B. Kozamernik, and U. Urleb, “Qualitative Determination of Polyvinylpyrrolidone Type by near-Infrared Spectrometry”. Int. J. Pharm1999; 177(1): 1–6.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
J. Luypaert, D.L. Massart, and Y. Vander Heyden, “Near-Infrared Spectroscopy Applications in Pharmaceutical Analysis”. Talanta2007; 72(3): 865–883.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
K. Varmuza and P. Filzmoser, Introduction to Multivariate Statistical Analysis in Chemometrics, Boca Raton, FL: CRC Press, 2009.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
M. Blanco and A. Villar, “Development and Validation of a Method for the Polymorphic Analysis of Pharmaceutical Preparations Using near Infrared Spectroscopy”. J. Pharm. Sci2003; 92(4): 823–830.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
T.-F. Wu, C.-J. Lin, and R.C. Weng, “Probability Estimates for Multi-Class Classification by Pairwise Coupling”. J. Mach. Learn. Res2004; 5: 975–1005.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
T.-F. Wu, C.-J. Lin, and R.C. Weng, “Probability Estimates for Multi-Class Classification by Pairwise Coupling”. J. Mach. Learn. Res2004; 5: 975–1005.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
S. Liu, H. Yi, L. Chia, and D. Rajan, “Adaptive Hierarchical Multi-Class SVM Classifier for Texture-Based Image Classification”. In: Multimedia and Expo (ICME), IEEE International Conference on. Amsterdam, the Netherlands: 6–8 July 2005. doi: 10.1109/ICME.2005.1521640 .
M. Andre, “Multivariate Analysis and Classification of the Chemical Quality of 7-Aminocephalosporanic Acid Using Near-Infrared Reflectance Spectroscopy”. Anal. Chem2003; 75(14): 3460–3467.
J. Luts, F. Ojeda, R. Van de Plas, B. De Moor, S. Van Huffel, and J.A.K. Suykens, “A Tutorial on Support Vector Machine-Based Methods for Classification Problems in Chemometrics”. Anal. Chim. Acta2010; 665(2): 129–145.
K. Krämer and S. Ebel, “Application of NIR Reflectance Spectroscopy for the Identification of Pharmaceutical Excipients”. Anal. Chim. Acta2000; 420(2): 155–161.
M. Blanco, J. Coello, H. Iturriaga, S. Maspoch, and C. Pérez-Maseda, “Determination of Polymorphic Purity by near Infrared Spectrometry”. Anal. Chim. Acta2000; 407(1–2): 247–254.
I. Storme-Paris, H. Rebiere, M. Matoga, C. Civade, P.A. Bonnet, M.H. Tissier, and P. Chaminade, “Challenging Near Infrared Spectroscopy Discriminating Ability for Counterfeit Pharmaceuticals Detection”. Anal. Chim. Acta2010; 658(2): 163–174.
W. Wu, Y. Mallet, B. Walczak, W. Penninckx, D.L. Massart, S. Heuerding, and F. Erni, “Comparison of Regularized Discriminant Analysis Linear Discriminant Analysis and Quadratic Discriminant Analysis Applied to NIR Data”. Anal. Chim. Acta1996; 329(3): 257–265.
E. Dreassi, G. Ceramelli, P. Corti, S. Lonardi, and P.L. Perruccio, “Near-Infrared Reflectance Spectrometry in the Determination of the Physical State of Primary Materials in Pharmaceutical Production”. Analyst1995; 120(4): 1005–1008.
J.J.R. Rohwedder, C. Pasquini, P.R. Fortes, I.M. Raimundo, A. Wilk, and B. Mizaikoff, “iHWG-μNIR: A Miniaturised Near-Infrared Gas Sensor Based on Substrate-Integrated Hollow Waveguides Coupled to a Micro-NIR-Spectrophotometer”. Analyst2014; 139(14): 3572–3576.
M. Blanco and M.A. Romero, “Near-Infrared Libraries in the Pharmaceutical Industry: A Solution for Identity Confirmation”. Analyst2001; 126(12): 2212–2217.
D. Sorak, L. Herberholz, S. Iwascek, S. Altinpinar, F. Pfeifer, and H.W. Siesler, “New Developments and Applications of Handheld Raman, Mid- Infrared, and Near-Infrared Spectrometers”. Appl. Spectrosc. Rev2011; 47(2): 83–115.
O. Devos, C. Ruckebusch, A. Durand, L. Duponchel, and J.-P. Huvenne, “Support Vector Machines (SVM) in Near-Infrared (NIR) Spectroscopy: Focus on Parameters Optimization and Model Interpretation”. Chemom. Intell. Lab. Syst2009; 96(1): 27–33.
W.B. Mroczyk and K.M. Michalski, “Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS”. Comput. Chem1998; 22(1): 119–122.
C.N. Silla and A.A. Freitas, “A Survey of Hierarchical Classification across Different Application Domains”. Data Min. Knowl. Discov2011; 22(1–2): 31–72.
S. Liu, H. Yi, L. Chia, and D. Rajan, “Adaptive Hierarchical Multi-Class SVM Classifier for Texture-Based Image Classification”. In: Multimedia and Expo (ICME), IEEE International Conference on. Amsterdam, the Netherlands: 6–8 July 2005. doi: 10.1109/ICME.2005.1521640 .
K. Kreft, B. Kozamernik, and U. Urleb, “Qualitative Determination of Polyvinylpyrrolidone Type by near-Infrared Spectrometry”. Int. J. Pharm1999; 177(1): 1–6.
T.-F. Wu, C.-J. Lin, and R.C. Weng, “Probability Estimates for Multi-Class Classification by Pairwise Coupling”. J. Mach. Learn. Res2004; 5: 975–1005.
B. Swarbrick, “Review: Advances in Instrumental Technology, Industry Guidance and Data Management Systems Enabling the Widespread Use of Near Infrared Spectroscopy in the Pharmaceutical/biopharmaceutical Sector”. J. Near Infrared Spectrosc2014; 22(3): 157–168.
B. Grout, “Application of Near Infrared Conformance Trending for Material Quality, Container Consistency and Minimisation of Process Risk”. J. Near Infrared Spectrosc2014; 22(3): 169–178.
M. Alcalà, M. Blanco, D. Moyano, N. Broad, N. O’Brien, D. Friedrich, F. Pfeifer, and H.W. Siesler, “Qualitative and Quantitative Pharmaceutical Analysis with a Novel Handheld Miniature near-Infrared Spectrometer”. J. Near Infrared Spectrosc2013; 21(6): 445–457.
Y. Roggo, P. Chalus, L. Maurer, C. Lema-Martinez, A. Edmond, and N. Jent, “A Review of Near Infrared Spectroscopy and Chemometrics in Pharmaceutical Technologies”. J. Pharm. Biomed. Anal2007; 44(3): 683–700.
M. Blanco and A. Villar, “Development and Validation of a Method for the Polymorphic Analysis of Pharmaceutical Preparations Using near Infrared Spectroscopy”. J. Pharm. Sci2003; 92(4): 823–830.
D.M. Friedrich, C.A. Hulse, M. von Gunten, E.P. Williamson, C.G. Pederson, and N.A. O’Brien, “Miniature Near-Infrared Spectrometer for Point-of-Use Chemical Analysis”. Proc. SPIE2014; 8992: 899203.
C.G. Pederson, D.M. Friedrich, C. Hsiung, M. von Gunten, N.A. O’Brien, H.-J. Ramaker, E. van Sprang, and M. Dreischor, “Pocket-Size Near-Infrared Spectrometer for Narcotic Materials Identification”. Proc. SPIE2014; 9101: 91010O.
N.A. O’Brien, C.A. Hulse, D.M. Friedrich, F.J. Van Milligen, M.K. von Gunten, F. Pfeifer, and H.W. Siesler, “Miniature Near-Infrared (NIR) Spectrometer Engine for Handheld Applications”. Proc. SPIE2012; 8374: 837404.
M.A. Druy, “Molecular Spectroscopy Workbench Applications for Mid-IR Spectroscopy in the Pharmaceutical Process Environment”. Spectroscopy2004; 19(2): 60–63.
J. Luypaert, D.L. Massart, and Y. Vander Heyden, “Near-Infrared Spectroscopy Applications in Pharmaceutical Analysis”. Talanta2007; 72(3): 865–883.
R.W. Kennard and L.A. Stone, “Computer Aided Design of Experiments”. Technometrics1969; 11(1): 137–148.
T. Vankeirsbilck, A. Vercauteren, W. Baeyens, G. Van der Weken, F. Verpoort, G. Vergote, and J.P. Remon, “Applications of Raman Spectroscopy in Pharmaceutical Analysis”. Trends Anal. Chem2002; 21(12): 869–877.
“Near-Infrared Spectrophotometry”. United States Pharmacopoeia USP 38 NF33. 2015.
“Near-Infrared Spectroscopy”. European Pharmacopoeia. 8th ed. 2013.
L. Eriksson, T. Byrne, J. Johansson, J. Trygg, C. Vikström. Multi- and Megavariate Data Analysis: Basic Principles and Applications. Umetrics Academy, 2013.
K. Varmuza and P. Filzmoser, Introduction to Multivariate Statistical Analysis in Chemometrics, Boca Raton, FL: CRC Press, 2009.
M.R. Siddiqui, Z.A. AlOthman, N. Rahman. “Analytical Techniques in Pharmaceutical Analysis: A Review”. Arab. J. Chem. (2013).
Optica participates in Crossref's Cited-By Linking service. Citing articles from Optica Publishing Group journals and other participating publishers are listed here.