1 Introduction
7
hydrogen bonding studies and studies on anharmonicity [11, 12]. The development
of an innovative spectrometer, Carey 14 Applied Physics in 1954, pushed NIR spectroscopy research as well as UV–Vis studies [1]. However, the development of basic
studies of NIR spectroscopy was still rather slow because even development of new
spectrometers was insufficient for NIR spectroscopy to observe weak NIR bands
accurately, and also systematic analysis of NIR bands was very difficult. Moreover,
NIR spectroscopy could not find application fields not only in basic science but also
in practical applications [1–7]. Until 1960s, NIR spectroscopy was a “sleeping giant”
in terms of both basic science and applications.
It was not a spectroscopist but an engineer in an agricultural field who woke up the
sleeping giant. He was Karl Norris (Fig. 1.3a) of the US Department of Agriculture
(USDA). Norris learnt electrical engineering as well as agricultural engineering at
universities, and thus, he had good background for developing spectrometers and
systems with computers. Norris was involved in a research of drying grain by use
of infrared technology. He happened to find that the grain had absorbances in the
NIR region. He focused on the fact that NIR spectroscopy is suitable for nondestructive analysis, and he and his colleagues tried to use NIR spectroscopy for quality
assessments of agricultural products. Norris proposed to use statistical methods to
build calibration models from NIR data [13, 14]. First, he employed simple linear
regression and then multiple regression. His idea realized the advantages of NIR
spectroscopy in practical applications. Thus, Norris is called “Father of NIR spectroscopy.” Norris, Phil Williams, Fred McClure, and other engineers applied NIR
spectroscopy to many applications in agriculture and then foods. Beltsville (Maryland, USA) was a place for assemblage for the bold and ambitious. Their great success
partly came from the strong request of quality assessment from consumers which
already started in North America from 1960s and partly from the development of
spectrometers and computers.
However, many conventional spectroscopists did not accept adamantly the eccentric idea of utilizing statistical methods such as multiple regression analysis to develop
calibration models of NIR data. After rather long dispute, some traditional spectroscopists started to recognize the usefulness of the statistical methods to analyze NIR
spectra. Particularly, Tomas Herschfeld played a very important role in making a
bridge between the spectroscopists and agricultural engineers.
Of note is that in 1960s, there was significant progress also in the applications
of NIR spectroscopy to basic studies [15–17]. For examples, in 1963, Bujis and
Choppin [17] measured NIR spectra of pure water and investigated water structure in
relation to hydrogen bonds. Late 1960s and early 70s, a few research groups including
Camille Sandorfy (Fig. 1.3b) group [16] found very interesting fact concerning with
the relative intensities of free and association bands of the OH and NH stretching
bands compared for the fundamentals and overtones. The relative intensity of the free
band is much greater for the overtones than fundamentals. One can say Sandorfy is
a pioneer in basic studies of NIR spectroscopy. He is famous particularly in the
research on relation between anharmonicity and hydrogen bondings.
It is also very important to know that there is another great scientist who advanced
the practical application of NIR spectroscopy. He was Frans, F. Jobsis (Fig. 1.3c),
7
hydrogen bonding studies and studies on anharmonicity [11, 12]. The development
of an innovative spectrometer, Carey 14 Applied Physics in 1954, pushed NIR spectroscopy research as well as UV–Vis studies [1]. However, the development of basic
studies of NIR spectroscopy was still rather slow because even development of new
spectrometers was insufficient for NIR spectroscopy to observe weak NIR bands
accurately, and also systematic analysis of NIR bands was very difficult. Moreover,
NIR spectroscopy could not find application fields not only in basic science but also
in practical applications [1–7]. Until 1960s, NIR spectroscopy was a “sleeping giant”
in terms of both basic science and applications.
It was not a spectroscopist but an engineer in an agricultural field who woke up the
sleeping giant. He was Karl Norris (Fig. 1.3a) of the US Department of Agriculture
(USDA). Norris learnt electrical engineering as well as agricultural engineering at
universities, and thus, he had good background for developing spectrometers and
systems with computers. Norris was involved in a research of drying grain by use
of infrared technology. He happened to find that the grain had absorbances in the
NIR region. He focused on the fact that NIR spectroscopy is suitable for nondestructive analysis, and he and his colleagues tried to use NIR spectroscopy for quality
assessments of agricultural products. Norris proposed to use statistical methods to
build calibration models from NIR data [13, 14]. First, he employed simple linear
regression and then multiple regression. His idea realized the advantages of NIR
spectroscopy in practical applications. Thus, Norris is called “Father of NIR spectroscopy.” Norris, Phil Williams, Fred McClure, and other engineers applied NIR
spectroscopy to many applications in agriculture and then foods. Beltsville (Maryland, USA) was a place for assemblage for the bold and ambitious. Their great success
partly came from the strong request of quality assessment from consumers which
already started in North America from 1960s and partly from the development of
spectrometers and computers.
However, many conventional spectroscopists did not accept adamantly the eccentric idea of utilizing statistical methods such as multiple regression analysis to develop
calibration models of NIR data. After rather long dispute, some traditional spectroscopists started to recognize the usefulness of the statistical methods to analyze NIR
spectra. Particularly, Tomas Herschfeld played a very important role in making a
bridge between the spectroscopists and agricultural engineers.
Of note is that in 1960s, there was significant progress also in the applications
of NIR spectroscopy to basic studies [15–17]. For examples, in 1963, Bujis and
Choppin [17] measured NIR spectra of pure water and investigated water structure in
relation to hydrogen bonds. Late 1960s and early 70s, a few research groups including
Camille Sandorfy (Fig. 1.3b) group [16] found very interesting fact concerning with
the relative intensities of free and association bands of the OH and NH stretching
bands compared for the fundamentals and overtones. The relative intensity of the free
band is much greater for the overtones than fundamentals. One can say Sandorfy is
a pioneer in basic studies of NIR spectroscopy. He is famous particularly in the
research on relation between anharmonicity and hydrogen bondings.
It is also very important to know that there is another great scientist who advanced
the practical application of NIR spectroscopy. He was Frans, F. Jobsis (Fig. 1.3c),