Near-infrared spectroscopy

Near-infrared spectroscopy (NIRS) is a spectroscopic method that uses the near-infrared region of the electromagnetic spectrum (from 780 nm to 2500 nm). Typical applications include medical and physiological diagnostics and research including blood sugar, pulse oximetry, functional neuroimaging, sports medicine, elite sports training, ergonomics, rehabilitation, neonatal research, brain computer interface, urology (bladder contraction), and neurology (neurovascular coupling). There are also applications in other areas as well such as pharmaceutical, food and agrochemical quality control, atmospheric chemistry, combustion research and astronomy. Near-infrared spectroscopy (NIRS) is a spectroscopic method that uses the near-infrared region of the electromagnetic spectrum (from 780 nm to 2500 nm). Typical applications include medical and physiological diagnostics and research including blood sugar, pulse oximetry, functional neuroimaging, sports medicine, elite sports training, ergonomics, rehabilitation, neonatal research, brain computer interface, urology (bladder contraction), and neurology (neurovascular coupling). There are also applications in other areas as well such as pharmaceutical, food and agrochemical quality control, atmospheric chemistry, combustion research and astronomy. Near-infrared spectroscopy is based on molecular overtone and combination vibrations. Such transitions are forbidden by the selection rules of quantum mechanics. As a result, the molar absorptivity in the near-IR region is typically quite small. One advantage is that NIR can typically penetrate much further into a sample than mid infrared radiation. Near-infrared spectroscopy is, therefore, not a particularly sensitive technique, but it can be very useful in probing bulk material with little or no sample preparation. 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. Multivariate (multiple variables) calibration techniques (e.g., principal components analysis, partial least squares, or artificial neural networks) are often employed to extract the desired chemical information. Careful development of a set of calibration samples and application of multivariate calibration techniques is essential for near-infrared analytical methods. The discovery of near-infrared energy is ascribed to William Herschel in the 19th century, 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, but the application of NIRS was focused more on chemical analysis. With the introduction of light-fiber optics in the mid-1980s and the monochromator-detector developments in early-1990s, NIRS became a more powerful tool for scientific research. This optical method can be used in a number of fields of science including physics, physiology, or medicine. It is only in the last few decades that NIRS began to be used as a medical tool for monitoring patients. 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 prism, or, more commonly, a diffraction grating) to allow the intensity at different wavelengths to be recorded. Fourier transform NIR instruments using an interferometer are also common, especially for wavelengths above ~1000 nm. Depending on the sample, the spectrum can be measured in either reflection or transmission. Common incandescent or quartz halogen light bulbs are most often used as broadband sources of near-infrared radiation for analytical applications. Light-emitting diodes (LEDs) can also used. For high precision spectroscopy, wavelength-scanned lasers and frequency combs have recently become powerful sources, albeit with sometimes longer acquisition timescales. When lasers are used, a single detector without any dispersive elements might be sufficient. The type of detector used depends primarily on the range of wavelengths to be measured. Silicon-based CCDs are suitable for the shorter end of the NIR range, but are not sufficiently sensitive over most of the range (over 1000 nm). InGaAs and PbS devices are more suitable though less sensitive than CCDs. It is possible to combine silicon-based and InGaAs detectors in the same instrument. Such instruments can record both UV-visible and NIR spectra 'simultaneously'. Instruments intended for chemical imaging in the NIR may use a 2D array detector with an acousto-optic tunable filter. Multiple images may be recorded sequentially at different narrow wavelength bands.