Near-infrared spectroscopy
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Near-infrared spectroscopy (NIRS) is a
Theory
Near-infrared spectroscopy is based on molecular overtone and combination vibrations. Such transitions are
The molecular overtone and combination bands seen in the near-IR are typically very broad, leading to complex spectra; it can be difficult to assign specific features to specific chemical components.
History
The discovery of near-infrared energy is ascribed to William Herschel in the 19th century,[6] but the first industrial application began in the 1950s. In the first applications, NIRS was used only as an add-on unit to other optical devices that used other wavelengths such as ultraviolet (UV), visible (Vis), or mid-infrared (MIR) spectrometers. In the 1980s, a single-unit, stand-alone NIRS system was made available.
In the 1980s, Karl Norris (while working at the USDA Instrumentation Research Laboratory, Beltsville, USA) pioneered the use NIR spectroscopy for quality assessments of agricultural products. Since then, use has expanded from food and agricultural to chemical, polymer, and petroleum industries; pharmaceutical industry; biomedical sciences; and environmental analysis.[7]
With the introduction of light-
Instrumentation
Instrumentation for near-IR (NIR) spectroscopy is similar to instruments for the UV-visible and mid-IR ranges. There is a source, a detector, and a dispersive element (such as a
Common
The type of detector used depends primarily on the range of wavelengths to be measured. Silicon-based
Instruments intended for
Many commercial instruments for UV/vis spectroscopy are capable of recording spectra in the NIR range (to perhaps ~900 nm). In the same way, the range of some mid-IR instruments may extend into the NIR. In these instruments, the detector used for the NIR wavelengths is often the same detector used for the instrument's "main" range of interest.
NIRS as an analytical technique
The use of NIR as an analytical technique did not come from extending the use of mid-IR into the near-IR range, but developed independently. A striking way this was exhibited is that, while mid-IR spectroscopists use wavenumbers (cm−1) when displaying spectra, NIR spectroscopists used wavelength (nm), as is used in ultraviolet–visible spectroscopy. The early practitioners of IR spectroscopy, who depended on assignment of absorption bands to specific bond types, were frustrated by the complexity of the region. However, as a quantitative tool, the lower molar absorption levels in the region tended to keep absorption maxima "on-scale", enabling quantitative work with little sample preparation. The techniques applied to extract the quantitative information from these complex spectra were unfamiliar to analytical chemists, and the technique was viewed with suspicion in academia.
Generally, a quantitative NIR analysis is accomplished by selecting a group of calibration samples, for which the concentration of the analyte of interest has been determined by a reference method, and finding a correlation between various spectral features and those concentrations using a chemometric tool. The calibration is then validated by using it to predict the analyte values for samples in a validation set, whose values have been determined by the reference method but have not been included in the calibration. A validated calibration is then used to predict the values of samples. The complexity of the spectra are overcome by the use of multivariate calibration. The two tools most often used a multi-wavelength linear regression and partial least squares.
Applications
Typical applications of NIR spectroscopy include the analysis of food products, pharmaceuticals, combustion products, and a major branch of astronomical spectroscopy.
Astronomical spectroscopy
Near-infrared
Agriculture
Near-infrared
Remote monitoring
Techniques have been developed for NIR spectroscopic imaging. Hyperspectral imaging has been applied for a wide range of uses, including the remote investigation of plants and soils. Data can be collected from instruments on airplanes, satellites or unmanned aerial systems to assess ground cover and soil chemistry.
Remote monitoring or remote sensing from the NIR spectroscopic region can also be used to study the atmosphere. For example, measurements of atmospheric gases are made from NIR spectra measured by the OCO-2, GOSAT, and the TCCON.
Materials science
Techniques have been developed for NIR spectroscopy of microscopic sample areas for film thickness measurements, research into the optical characteristics of nanoparticles and optical coatings for the telecommunications industry.
Medical uses
The application of NIRS in medicine centres on its ability to provide information about the oxygen saturation of haemoglobin within the microcirculation.[18] Broadly speaking, it can be used to assess oxygenation and microvascular function in the brain (cerebral NIRS) or in the peripheral tissues (peripheral NIRS).
Cerebral NIRS
When a specific area of the brain is activated, the localized blood volume in that area changes quickly. Optical imaging can measure the location and activity of specific regions of the brain by continuously monitoring blood hemoglobin levels through the determination of optical absorption coefficients.[19]
NIRS can be used as a quick screening tool for possible
So-called
The application in functional mapping of the human cortex is called
By employing several wavelengths and time resolved (frequency or time domain) and/or spatially resolved methods blood flow, volume and absolute tissue saturation ( or Tissue Saturation Index (TSI)) can be quantified.
The use of NIRS in conjunction with a bolus injection of indocyanine green (ICG) has been used to measure cerebral blood flow[29][30] and cerebral metabolic rate of oxygen consumption (CMRO2).[31] It has also been shown that CMRO2 can be calculated with combined NIRS/MRI measurements.[32] Additionally metabolism can be interrogated by resolving an additional mitochondrial chromophore, cytochrome-c-oxidase, using broadband NIRS.[33]
NIRS is starting to be used in pediatric critical care, to help manage patients following cardiac surgery. Indeed, NIRS is able to measure venous oxygen saturation (SVO2), which is determined by the cardiac output, as well as other parameters (FiO2, hemoglobin, oxygen uptake). Therefore, examining the NIRS provides critical care physicians with an estimate of the cardiac output. NIRS is favoured by patients, because it is non-invasive, painless, and does not require ionizing radiation.
Optical coherence tomography (OCT) is another NIR medical imaging technique capable of 3D imaging with high resolution on par with low-power microscopy. Using optical coherence to measure photon pathlength allows OCT to build images of live tissue and clear examinations of tissue morphology. Due to technique differences OCT is limited to imaging 1–2 mm below tissue surfaces, but despite this limitation OCT has become an established medical imaging technique especially for imaging of the retina and anterior segments of the eye, as well as coronaries.
A type of neurofeedback, hemoencephalography or HEG, uses NIR technology to measure brain activation, primarily of the frontal lobes, for the purpose of training cerebral activation of that region.
The instrumental development of NIRS/NIRI/DOT/OCT has proceeded tremendously during the last years and, in particular, in terms of quantification, imaging and miniaturization.[28]
Peripheral NIRS
Peripheral microvascular function can be assessed using NIRS. The oxygen saturation of haemoglobin in the tissue (StO2) can provide information about tissue perfusion. A vascular occlusion test (VOT) can be employed to assess microvascular function. Common sites for peripheral NIRS monitoring include the thenar eminence, forearm and calf muscles.
Particle measurement
NIR is often used in particle sizing in a range of different fields, including studying pharmaceutical and agricultural powders.
Industrial uses
As opposed to NIRS used in optical topography, general NIRS used in chemical assays does not provide imaging by mapping. For example, a clinical carbon dioxide analyzer requires reference techniques and calibration routines to be able to get accurate CO2 content change. In this case, calibration is performed by adjusting the zero control of the sample being tested after purposefully supplying 0% CO2 or another known amount of CO2 in the sample. Normal compressed gas from distributors contains about 95% O2 and 5% CO2, which can also be used to adjust %CO2 meter reading to be exactly 5% at initial calibration.[34]
See also
- Chemical imaging
- Fourier transform infrared spectroscopy
- Fourier transform spectroscopy
- Functional near-infrared spectroscopy (fNIR/fNIRS)
- Hyperspectral imaging
- Infrared spectroscopy
- Optical imaging
- Rotational spectroscopy
- Spectroscopy
- Terahertz time-domain spectroscopy
- Vibrational spectroscopy
References
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- ^ a b van Beekvelt, MCP (2002). "Quantitative near-infrared spectroscopy in human skeletal muscle methodological issues and clinical application" (PDF). PhD Thesis, University of Nijmegen. Archived from the original (PDF) on 2013-10-16.
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Further reading
- Kouli, M.: "Experimental investigations of non invasive measuring of cerebral blood flow in adult human using the near infrared spectroscopy." Dissertation, Technical University of Munich, December 2001.
- Raghavachari, R., Editor. 2001. Near-Infrared Applications in Biotechnology, Marcel-Dekker, New York, NY.
- Workman, J.; Weyer, L. 2007. Practical Guide to Interpretive Near-Infrared Spectroscopy, CRC Press-Taylor & Francis Group, Boca Raton, FL.
External links
- NIR Spectroscopy NIR Spectroscopy News