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This is Tony’s last column for Spectroscopy Europe. It is explores an idea that he has been developing for over 30 years, although as Tony points out the story starts around 3500 years ago.
NSG Precision Cells has introduced “Superband Standards.
Sensortech Systems has introduced the NIR 6000 series for use in a wide range of industries, product types, manufacturing environments and process locations
Horiba Scientific has launched their Syncerity back-illuminated, deep-cooled CCD camera with an NIR-enhanced 2048 × 70 sensor; it is designed for companies requiring an affordable OEM camera for vis-NIR spectroscopy applications.
Broadband photon time-of-flight spectroscopy as a prospective tool in biomedicine and industrial process and quality control
The analysis of turbid samples is increasingly important, not least due to their widespread occurrence in natural samples. Dmitry Khoptyar, Sören Johansson, Staffan Strömblad and Stefan Andersson-Engels show “Broadband photon time-of-flight spectroscopy as a prospective tool in biomedicine and industrial process and quality control”. The authors describe their recent development of a broadband spectrometer for evaluation of absorption and scattering spectra of very diverse turbid materials in the visible and close-near infrared (NIR) regions and its application with milk, cheese and paper samples.
FT-NIR analyser for polyols and derivatives. Has pre-loaded calibration models for immediate OH value determination. Additional custom calibrations can be developed for parameters such as iodine value, acid value, saponification number, amine content, isocyanate content and TDI isomer ratio.
Robust NIR spectroscopic probes for continuous online analysis of hydrocarbon process streams. They are intended to be used in pairs in conjunction with standard Swagelock fittings for incorporation into existing process lines with little or no modification. The optical pathlength is determined both by the design of the probes and the particular Swagelock fitting.
A transportable, bench-top vis/NIR spectrometer with an active-trigger fibre-optic probe and transmittance sampling accessory. It covers wavelength ranges from 44 nm to1700 nm and uses volume phase gratings as the spectral dispersion element.
Tester for olives, that can also check olive texture to determine how much they can be pressed.
Another of Bruins’ dedicated analysers for wine, beer, liquids and gels based on their double-beam NIR analyser platform.
NIR 1.7 Microspectrometer
A small, monolithic microspectrometer module for use in analytical and diagnostic hand-held devices, offering mechanical, optical and thermal stability. Spectral range is 900–1700 nm with detection by a 128-element InGaAs array. Also available as an OEM System and an Evaluation System.
New version of the MicroNIR product line now IP65 water/dust resistant. A new software platform has been developed for data acquisition, model development and real-time prediction, which is also compliant with regulatory requirements such as 21 CFR Part 11.
Infralum FT-12 and FT-40
NIR analysers for grain quality parameters including protein, moisture, gluten content and vitreousness, as well as determination of oil content, protein and other parameters in cereal grains and oilseeds, and processed products. Both have a spectral range of 760–1150 nm; the FT-12 has a sample volume of 50 mL and the FT-40 one of 500 mL.
Portable, field hardened UV/vis/NIR analyser with spectral range from 350 nm to 2500 nm. Applications in minerals and mining as well as other fields. Extensive, user-customisable libraries for minerals or compounds.
Hand-held NIR analyser with spectral range of 920–1680 nm for analysis of solids and liquids. Battery life is 6–8 h and WiFi can connect it to a base station PC. Dimensions are 230 × 80 × 42 mm and it weighs 1.1 kg.
DLP 0.45 WXGA NIR Chipset
Miniature “light steering solution” based on a MEMS device that with over 1 million miniature mirrors (912 × 1140 array) that can select specific wavelengths to be passed to a single-point detector. Optimised for 700–2500 light. Advantages include higher wavelength resolution, greater detector area and light capture efficiency than array detectors, scans in less than 0.5 s due to high signal-to-noise ratio.
An evaluation module based on the DLP 0.45 WXGA NIR Chipset containing everything needed to start developing a DLP-based spectrometer. Includes 1350–2450 nm wavelength range, >30,000 : 1 signal-to-noise ratio for <1 s measurements, single-element Extended InGaAs detector, transmittance sampling module including halogen lamp and embedded Linux operating system.
Ruggedised portable NIR octane/cetane analyser and fuel testing kit. Contained within a mil spec case and with shock mounted components. Automatic fuel selection enables the detection of the type of fuel being analysed and reduces operator error. An optional GPS locator can document and verify the time and location of each analysis.
SpectraAlyzer Wine & Spirits
Analyser to determine the main quality parameters, i.e. for wine: ethanol, tot. sugars, tot. acidity, pH, organic acids and optical density, and others within 45 s. The rugged construction and optical sample/reference setup provides reliable operation in environments with fluctuating temperatures, vibration and dust.
Tony (A.M.C.) Davies looks at Multiple Linear Regression (MLR) this issue, as well as expressing his opinions about Principal Components Regression (PCR) and Partial Least-Squares (PLS).
Curtis Marcott, Tadashi Awatani, Jiping Ye, David Gerrard, Michael Lo and Kevin Kjoller give us a “Review of nanoscale infrared spectroscopy applications to energy related materials”. Fuel cells, photovoltaics and specialised polymers for fracking are all considered.
Report on the The Seventh International Conference of Advanced Vibrational Spectroscopy (ICAVS-7) held in Kobe, Japan.
Tony (A.M.C.) continues down the last furlong of his series of Tony Davies Column articles. This issue, he considers principal component analysis (PCA). Using research recently published in the Journal of Near Infrared Spectroscopy, he explains that PCA is a very useful tool but it will not solve all our problems. Two old articles on PCA, including Tony’s concept of the “Data Cake” have been added to the website, are referenced in Tony’s article and can be freely downloaded by readers.
Near infrared hyperspectral imaging for foreign body detection and identification in food processing
With continuing food scares around the world, food producers need every tool they can get to prevent contamination of their products at every stage of production. Hyperspectral reflectance imaging in the NIR combined with chemometrics shows much promise for the detection and identification of foreign bodies among food grains.
Tony (A.M.C.) Davies starts a review of the chemometric ideas that have most excited him over the last 30 years. In this column, he looks at the use of Fourier transformation for data compression. FT can also provide the side benefit of reducing high-frequency noise.
Qualitative and quantitative assessment of acetylated wood using infrared spectroscopic methods and multivariate data analysis
Chemical modification of wood by methods such as acetylation is required to improve characteristics such as photosensitivity and combustibility, and to provide harmonisation of wood properties in order to avoid swelling and shrinking and to improve biodegradability. The authors describe the use of mid and near infrared spectroscopies to monitor chemical changes due to acetylation is described. Chemical modification of wood by methods such as acetylation is required to improve characteristics such as photosensitivity and combustibility, and to provide harmonisation of wood properties in order to avoid swelling and shrinking and to improve biodegradability. The authors describe the use of mid and near infrared spectroscopies to monitor chemical changes due to acetylation is described.
This article shows that pyrolysis techniques, in combination with spectroscopy, are helping our understanding of how the organic matter in our solar system came to be. Fascinatingly, they also show how secondary processing of meteorite materials seems to enhance the abilities of atmospheres to host life on planetary surfaces as well as providing the raw materials from which life could originate.
Tony (A.M.C.) Davies and Tom Fearn describe an enhancement of the popular partial least squares (PLS) technique, powered partial least squares (PPLS), that has shown significantly better results.
Tony Davies makes sure we understand “What IS and what is NOT chemometrics” and why it matters.
“Measuring brain activity using functional near infrared spectroscopy: a short review” by Felix Scholkmann and Martin Wolf looks at the various methods for performing fNIRS and some applications that demonstrate why this non-invasive, safely applicable, portable and cost-effective method is now an integral part of the techniques used in neuroscience.
Medical applications of NIR spectroscopy are covered in this major special issue of JNIRS—Journal of Near Infrared Spectroscopy.
Examining diffuse reflection and transmission spectra more thoroughly: Part 2. Sample temperature and sample composition
The Tony Davies Column once again contains a contribution from Karl Norris, who is widely regarded as the “father of NIR spectroscopy”. Karl continues to produce innovative ideas about the field and this article is no different. Building on the previous article concerning fourth derivatives, Karl has investigated the effect of varying gap sizes with some remarkable results.
Camo Software has announced the launch of a new version of its “all-in-one” multivariate data analysis and design of experiments software, the Unscrambler X. The new version provides improved performance and is optimised for better usability, security and reliability. Version 10.2 continues the company’s tradition of delivering multivariate data analysis software that is easy to use and offers good data visualisation. New features include the addition of Support Vector Machine Regression, Compliance Mode has been added as an installation option for those needing to meet the requirements of electronic signature and record handling, Recalculate with New has been added as a new feature to PCA, PCR and PLS, which allows the addition of new data to an existing model, Data Signature has been added for enhanced data integrity, Blocking of Designs has been added to Full Factorial designs in the Design of Experiments module, three new spectroscopy vendor specific imports have been added—DeltaVu, rap-ID and Visiotec—and an Interpolation function has also been added.