1 Introduction
9
who carried out the in vivo monitoring of the redox behavior of cytochrome c oxidase
(or cytochrome aa 3 ) (Chap. 20) [18]. Since his pioneering study medical application
of NIR spectroscopy has shown distinctive growth as described later [19].
It is not clear when chemometrics was born, but it is clear that the use of statistical
methods by Norris was one of the initiations of the development of chemometrics
[1, 2, 4, 6]. Among various molecular spectroscopy, NIR spectroscopy was the first
in using chemometrics. For the last half century or so, chemometrics developed NIR
spectroscopy and NIR spectroscopy developed chemometrics. Nowadays, chemometrics is used in almost all kinds of spectroscopy including IR, Raman, far-infrared
(FIR)/Terahertz, UV–Vis, fluorescence, and NMR spectroscopy.
In 1980s, NIR spectroscopy was used mainly for agriculture and food engineering
fields, but applications to polymers and on-line analysis started in those days. After
entering 1990s, application of NIR spectroscopy made remarkable progress thanks
to the development of spectrometers, detectors, computers, and chemometrics. It has
expanded to chemical, polymer and petroleum industries, pharmaceutical industry,
biomedical sciences, environmental analysis, and even analysis of cultural resources.
In the last ten years or so, development of NIR imaging and portable and handheld
instruments has been a matter of big attention. Besides progresses in NIR imaging,
and portable and hand-held spectrometers, those in on-line monitoring, process analysis technology (PAT), sensing for security and safety, and medical diagnosis have
been particularly noted [1–6]. NIR world is stretching strongly over a huge area of
science and technology.
Medical application of NIR spectroscopy is nowadays called functional NIR
(fNIR) spectroscopy [20]. It uses mainly electronic NIR spectroscopy in Region 1,
the region of “window of biological materials.” fNIR is applied not only to medical
applications but also to brain research.
Basic studies of NIR spectroscopy such as overtones, combination modes, anharmonicity, and vibrational potential, and application of NIR spectroscopy to basic
science like studies of hydrogen bondings, intermolecular interactions, and solution chemistry experienced “renaissance” in the 1990s due to rapid progress in NIR
spectrometers particularly FT-NIR spectrometers and spectral analysis methods like
two-dimensional correlation analysis.(Chap. 13) [1, 2, 3, 5, 7] Quantum chemical
calculations have realized simulations of NIR spectra not only of simple compounds
but also of rather complicated molecules such as long chain fatty acids, caffeine,
nucleic acid bases, and rosemaric acid (Chap. 5). They also enable one to make band
assignments of NIR spectra [20]. It is noted that quantum chemical calculations are
useful for both basic studies and applications of NIR spectroscopy.
NIR spectroscopy is expanding markedly to a variety of fields such as astronomy,
security and safety sensing, forensic science, building site, paleocultural property
science and brain science.
9
who carried out the in vivo monitoring of the redox behavior of cytochrome c oxidase
(or cytochrome aa 3 ) (Chap. 20) [18]. Since his pioneering study medical application
of NIR spectroscopy has shown distinctive growth as described later [19].
It is not clear when chemometrics was born, but it is clear that the use of statistical
methods by Norris was one of the initiations of the development of chemometrics
[1, 2, 4, 6]. Among various molecular spectroscopy, NIR spectroscopy was the first
in using chemometrics. For the last half century or so, chemometrics developed NIR
spectroscopy and NIR spectroscopy developed chemometrics. Nowadays, chemometrics is used in almost all kinds of spectroscopy including IR, Raman, far-infrared
(FIR)/Terahertz, UV–Vis, fluorescence, and NMR spectroscopy.
In 1980s, NIR spectroscopy was used mainly for agriculture and food engineering
fields, but applications to polymers and on-line analysis started in those days. After
entering 1990s, application of NIR spectroscopy made remarkable progress thanks
to the development of spectrometers, detectors, computers, and chemometrics. It has
expanded to chemical, polymer and petroleum industries, pharmaceutical industry,
biomedical sciences, environmental analysis, and even analysis of cultural resources.
In the last ten years or so, development of NIR imaging and portable and handheld
instruments has been a matter of big attention. Besides progresses in NIR imaging,
and portable and hand-held spectrometers, those in on-line monitoring, process analysis technology (PAT), sensing for security and safety, and medical diagnosis have
been particularly noted [1–6]. NIR world is stretching strongly over a huge area of
science and technology.
Medical application of NIR spectroscopy is nowadays called functional NIR
(fNIR) spectroscopy [20]. It uses mainly electronic NIR spectroscopy in Region 1,
the region of “window of biological materials.” fNIR is applied not only to medical
applications but also to brain research.
Basic studies of NIR spectroscopy such as overtones, combination modes, anharmonicity, and vibrational potential, and application of NIR spectroscopy to basic
science like studies of hydrogen bondings, intermolecular interactions, and solution chemistry experienced “renaissance” in the 1990s due to rapid progress in NIR
spectrometers particularly FT-NIR spectrometers and spectral analysis methods like
two-dimensional correlation analysis.(Chap. 13) [1, 2, 3, 5, 7] Quantum chemical
calculations have realized simulations of NIR spectra not only of simple compounds
but also of rather complicated molecules such as long chain fatty acids, caffeine,
nucleic acid bases, and rosemaric acid (Chap. 5). They also enable one to make band
assignments of NIR spectra [20]. It is noted that quantum chemical calculations are
useful for both basic studies and applications of NIR spectroscopy.
NIR spectroscopy is expanding markedly to a variety of fields such as astronomy,
security and safety sensing, forensic science, building site, paleocultural property
science and brain science.