82
Y. Ozaki et al.
11. H. Maeda, Y. Ozaki, M. Tanaka, N. Hayashi, T. Kojima, Near infrared spectroscopy and chemometrics studies of temperature-dependent spectral variations of water: relationship between
spectral changes and hydrogen bonds. J. NIR Spectrosc. 3, 191–201 (1995)
12. J. Grabska, K.B. Be´ c, M. Ishigaki, C.W. Huck, Y. Ozaki, NIR spectra simulations by anharmonic
DFT-saturated and unsaturated long-chain fatty acids. J. Phys. Chem. B 122, 6931–6944 (2018)
13. M.A. Czarnecki, Y. Liu, Y. Ozaki, M. Suzuki, M. Iwahashi, Potential of Fourier transform
near-infrared spectroscopy in studies of the dissociation of Fatty acids in the liquid phase.
Appl. Spectrosc. 47, 2162–2168 (1993)
14. Y. Hu, J. Zhang, H. Sato, Y. Futami, I. Noda, Y. Ozaki, C-H…O=C hydrogen bonding and
isothermal crystallization kinetics of poly(3-hydroxybutyrate) investigated by near-infrared
spectroscopy. Macromol. 39, 3841–3847 (2006)
15. L. Bokobza: Origin of near-infrared absorption bands, in Ref. [1], p. 11–42
16. Y. Sugawara, A.Y. Hirakawa, M. Tsuboi, In-plane force constants of the peptide group: Leastsquares adjustment starting from ab initio values of N-methylacetamide. J. Mol. Spectrosc.
108, 206–214 (1984)
17. P. Geladi, D. MacDougall, H. Martens, Linearization and scatter-correction for near-infrared
reflectance spectra of meat. Appl. Spectrosc. 39, 491–500 (1985)
18. A. Savitzky, M.J.E. Golay, Smoothing and differentiation of data by simplified least squares
procedures. Anal. Chem. 36, 1627–1639 (1964)
19. F.T. Chau, T.M. Shih, J.B. Gao, C.K. Chan, Application of the fast wavelet transform method
to compress ultraviolet-visible spectra. Appl. Spectrosc. 50, 339–348 (1996)
20. C.L. Stok, D.L. Veltkamp, B.R. Kowalski, Detecting and identifying spectral anomalies using
wavelet processing. Appl. Spectrosc. 52, 1348–1352 (1998)
21. M. Shimoyama, T. Ninomiya, K. Sano, Y. Ozaki, H. Higashiyama, M. Watari, M. Tomo, Near
infrared spectroscopy and chemometrics analysis of linear low-density polyethylene. J. NIR
Spectrosc. 6, 317–324 (1998)
22. R. Barnes, M. Dhanoa, S.J. Lester, Standard normal variate transformation and de-trending of
near-infrared diffuse reflectance spectra. Appl. Spectrosc. 43, 772–777 (1989)
23. Y. Ozaki, Y. Liu, I. Noda, Two-dimensional near-infrared correlation spectroscopy study of
premelting behavior of nylon 12. Macromol. 30, 2391–2399 (1997)
Y. Ozaki et al.
11. H. Maeda, Y. Ozaki, M. Tanaka, N. Hayashi, T. Kojima, Near infrared spectroscopy and chemometrics studies of temperature-dependent spectral variations of water: relationship between
spectral changes and hydrogen bonds. J. NIR Spectrosc. 3, 191–201 (1995)
12. J. Grabska, K.B. Be´ c, M. Ishigaki, C.W. Huck, Y. Ozaki, NIR spectra simulations by anharmonic
DFT-saturated and unsaturated long-chain fatty acids. J. Phys. Chem. B 122, 6931–6944 (2018)
13. M.A. Czarnecki, Y. Liu, Y. Ozaki, M. Suzuki, M. Iwahashi, Potential of Fourier transform
near-infrared spectroscopy in studies of the dissociation of Fatty acids in the liquid phase.
Appl. Spectrosc. 47, 2162–2168 (1993)
14. Y. Hu, J. Zhang, H. Sato, Y. Futami, I. Noda, Y. Ozaki, C-H…O=C hydrogen bonding and
isothermal crystallization kinetics of poly(3-hydroxybutyrate) investigated by near-infrared
spectroscopy. Macromol. 39, 3841–3847 (2006)
15. L. Bokobza: Origin of near-infrared absorption bands, in Ref. [1], p. 11–42
16. Y. Sugawara, A.Y. Hirakawa, M. Tsuboi, In-plane force constants of the peptide group: Leastsquares adjustment starting from ab initio values of N-methylacetamide. J. Mol. Spectrosc.
108, 206–214 (1984)
17. P. Geladi, D. MacDougall, H. Martens, Linearization and scatter-correction for near-infrared
reflectance spectra of meat. Appl. Spectrosc. 39, 491–500 (1985)
18. A. Savitzky, M.J.E. Golay, Smoothing and differentiation of data by simplified least squares
procedures. Anal. Chem. 36, 1627–1639 (1964)
19. F.T. Chau, T.M. Shih, J.B. Gao, C.K. Chan, Application of the fast wavelet transform method
to compress ultraviolet-visible spectra. Appl. Spectrosc. 50, 339–348 (1996)
20. C.L. Stok, D.L. Veltkamp, B.R. Kowalski, Detecting and identifying spectral anomalies using
wavelet processing. Appl. Spectrosc. 52, 1348–1352 (1998)
21. M. Shimoyama, T. Ninomiya, K. Sano, Y. Ozaki, H. Higashiyama, M. Watari, M. Tomo, Near
infrared spectroscopy and chemometrics analysis of linear low-density polyethylene. J. NIR
Spectrosc. 6, 317–324 (1998)
22. R. Barnes, M. Dhanoa, S.J. Lester, Standard normal variate transformation and de-trending of
near-infrared diffuse reflectance spectra. Appl. Spectrosc. 43, 772–777 (1989)
23. Y. Ozaki, Y. Liu, I. Noda, Two-dimensional near-infrared correlation spectroscopy study of
premelting behavior of nylon 12. Macromol. 30, 2391–2399 (1997)