Principles of Infrared Technology

Miller, John L.

doi:10.1007/978-1-4615-7664-8

Cited by 133 publications

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“…most significant contribution to absorption in the NIR region [32]. Likewise, combinations of these high-frequency fundamental vibrations also extend into the NIR region.…”

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 97%

“…Therefore, we focus primarily on these high frequency modes to gain a better understanding of the NIRreflectance/absorbance characteristics of these selected pigments. Vibrational overtone and combination bands occur as a result of anharmonicity, which arises from the fact that the potential energy of bonds in real molecules is better described by Morse functions, than the idealised quadratic functions of the harmonic oscillator [32]. Anharmonicity also arises from the fact that there is a non-linear relationship between the dipole moment of a bond and the displacement of the bonded atoms during a vibration [32].…”

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 99%

“…Vibrational overtone and combination bands occur as a result of anharmonicity, which arises from the fact that the potential energy of bonds in real molecules is better described by Morse functions, than the idealised quadratic functions of the harmonic oscillator [32]. Anharmonicity also arises from the fact that there is a non-linear relationship between the dipole moment of a bond and the displacement of the bonded atoms during a vibration [32]. Generally anharmonicity leads to a lowering of the frequency of the fundamental vibrations, overtones and combination modes.…”

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 99%

“…However, additional factors need to be considered to account for the relative absorbance of the PDI molecules. Importantly, combination bands can only arise from vibrations involving the same functional group and having the same symmetry [32]. Therefore the perylene C-H bonds remain isolated from the M A N U S C R I P T…”

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 99%

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Interpreting the near-infrared reflectance of a series of perylene pigments

2013

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This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. and combination modes of fundamental IR vibrations appear to be more important in explaining the observed variations in NIR reflectance/absorbance. Aromatic groups lead to a small number of intense NIR bands, while alkyl groups generally lead to a greater number of less intense NIR bands. However, neighbouring group effects and/or a molecular dipole moment can substantially alter the intensity of these bands.

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“…most significant contribution to absorption in the NIR region [32]. Likewise, combinations of these high-frequency fundamental vibrations also extend into the NIR region.…”

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 97%

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 99%

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 99%

Section: Overtones Of the High-frequency Fundamental Vibrations (C-hmentioning

confidence: 99%

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Interpreting the near-infrared reflectance of a series of perylene pigments

2013

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“…It was observed that PLS loadings for MDF were opposite to per cent medullation by number (PMEDNUM). Highest loadings were observed around 1400 and 1900 nm related to O-H tones (mainly water), around 1700 nm related to C-H first overtones, mainly related with fatty acids and grease in the wool samples, and around 2070 and 2200 nm related to C-H combinations tones (Murray, 1986;Miller, 2001;Cozzolino et al, 2005).…”

Section: Wool Samplesmentioning

confidence: 99%

Feasibility study on the potential of visible and near infrared reflectance spectroscopy to measure alpaca fibre characteristics

Gishen

Cozzolino

2007

Animal

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Visible (Vis) and near infrared (NIR) reflectance spectroscopy is a rapid and non-destructive technique that has found many applications in assessing the quality of agricultural commodities, including wool. In this study, Vis and NIR spectroscopy combined with multivariate data analysis was investigated regarding its feasibility in predicting a range of fibre characteristics in raw alpaca wool samples. Mid-side samples (n 5 149) were taken from alpacas from a range of colours and ages at shearing time over 4 years (2000 to 2004) and subsequently analysed for fibre characteristics such as mean fibre diameter (MFD) and standard deviation (and coefficient of variation), spin fineness, curvature degree (and standard deviation), comfort factor, medullation percentage (by weight and number in white samples only) using traditional reference laboratory testing methods. Samples were scanned in a large cuvette using a FOSS NIRSystems 6500 monochromator instrument in reflectance mode in the Vis and NIR regions (400 to 2500 nm). Partial least squares (PLS) regression was used to develop a number of calibration models between the spectral and reference data. Mathematical pre-treatment of the spectra (second derivative) as well as various combinations of wavelength range were used in model development. The best calibration model was found when using the NIR region (1100 to 2500 nm) for the prediction of MFD, which had a coefficient of determination in crossvalidation (R 2 ) of 0.88 with a root mean square standard error of cross validation (RMSECV) of 2.62 mm. The results show the NIR technique to have promise as a semi-quantitative method for screening purposes. The lack of grease in alpaca wool samples suggests that the technique might find ready application as a rapid measurement technique for preliminary classing of shorn fleeces or, if used directly on the animal, the technology might offer an objective tool to assist in the selection of animals in breeding programmes or shows.

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Vibrational Spectroscopy Techniques in the Quality Assessment of Fruits and Vegetables

Polshin

Lammertyn

Nicolaı̈

2001

Handbook of Vibrational Spectroscopy

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Fruits and vegetables play an important role in the human diet worldwide. Safety and quality are important considerations for the purchase and consumption of fresh raw products. Since the consumers increasingly insist on a very high fruit and vegetable quality nowadays, it is also necessary to provide information about the origin and traceability of these products. One of the alternatives to traditional wet chemistry and human evaluation strategies, which allow quality assessment and control of fruits and vegetables, is vibrational spectroscopy. During the last decade, several vibrational spectroscopic methods have been developed, and have become more widely adopted by the agricultural and food sectors. These methods offer the possibility to rapidly measure several properties of the sample with minimal sample preparation and often to perform nondestructive quality evaluation. In this chapter, an overview of near‐infrared, mid‐infrared, and Raman spectrometries and infrared thermography is given for use in measuring quality attributes of horticultural produce.

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Principles of Infrared Technology

Cited by 133 publications

References 0 publications

Interpreting the near-infrared reflectance of a series of perylene pigments

Interpreting the near-infrared reflectance of a series of perylene pigments

Feasibility study on the potential of visible and near infrared reflectance spectroscopy to measure alpaca fibre characteristics

Vibrational Spectroscopy Techniques in the Quality Assessment of Fruits and Vegetables

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