KEYWORDS: Spectroscopy, Near infrared, Calibration, Infrared spectroscopy, Data modeling, Statistical modeling, Principal component analysis, Optical filters, Linear filtering, Absorbance
While significant progress has been made towards the miniaturization of Raman, mid-infrared (IR), and near-infrared
(NIR) spectrometers for homeland security and law enforcement applications, there remains continued interest in
pushing the technology envelope for smaller, lower cost, and easier to use analyzers. In this paper, we report on the use
of the MicroNIR Spectrometer, an ultra-compact, handheld near infrared (NIR) spectrometer, the, that weighs less than
60 grams and measures < 50mm in diameter for the classification of 140 different substances most of which are
controlled substances (such as cocaine, heroin, oxycodone, diazepam), as well as synthetic cathinones (also known as
bath salts), and synthetic cannabinoids. A library of the materials was created from a master MicroNIR spectrometer. A
set of 25 unknown samples were then identified with three other MicroNIRs showing: 1) the ability to correctly identify
the unknown with a very low rate of misidentification, and 2) the ability to use the same library with multiple
instruments. In addition, we have shown that through the use of innovative chemometric algorithms, we were able to
identify the individual compounds that make up an unknown mixture based on the spectral library of the individual
compounds only. The small size of the spectrometer is enabled through the use of high-performance linear variable filter
(LVF) technology.
Point-of-use chemical analysis holds tremendous promise for a number of industries, including agriculture, recycling,
pharmaceuticals and homeland security. Near infrared (NIR) spectroscopy is an excellent candidate for these
applications, with minimal sample preparation for real-time decision-making. We will detail the development of a golf
ball-sized NIR spectrometer developed specifically for this purpose. The instrument is based upon a thin-film dispersive
element that is very stable over time and temperature, with less than 2 nm change expected over the operating
temperature range and lifetime of the instrument. This filter is coupled with an uncooled InGaAs detector array in a
small, rugged, environmentally stable optical bench ideally suited to unpredictable environments. The resulting
instrument weighs less than 60 grams, includes onboard illumination and collection optics for diffuse reflectance
applications in the 900-1700 nm wavelength range, and is USB-powered. It can be driven in the field by a laptop, tablet
or even a smartphone. The software design includes the potential for both on-board and cloud-based storage, analysis
and decision-making. The key attributes of the instrument and the underlying design tradeoffs will be discussed,
focusing on miniaturization, ruggedization, power consumption and cost. The optical performance of the instrument, as
well as its fit-for purpose will be detailed. Finally, we will show that our manufacturing process has enabled us to build
instruments with excellent unit-to-unit reproducibility. We will show that this is a key enabler for instrumentindependent
chemical analysis models, a requirement for mass point-of-use deployment.
While substantial progress has been made recently towards the miniaturization of Raman, mid-infrared (IR), and near-infrared
(NIR) spectrometers, there remains continued interest from end-users and product developers in pushing the
technology envelope toward even smaller and lower cost analyzers. The potential of these instruments to revolutionize
on-site and on-line applications can only be realized if the reduction in size does not compromise performance of the
spectrometer beyond the practical need of a given application. In this paper, the working principle of a novel, extremely
miniaturized NIR spectrometer will be presented. The ultra-compact spectrometer relies on thin-film linear variable filter
(LVF) technology for the light dispersing element. We will also report on an environmental study whereby the contamination
of soil by oil is determined quantitatively in the range of 0-12% by weight of oil contamination. The achieved
analytical results will be discussed in terms of the instrument's competitiveness and suitability for on-site and in-the-field
measurements.
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