Spectroscopy and Chemometrics News Weekly #41, 2016

Chemometrics

Lipstick traces: FTIR calibration. cosmetics LINK

Using FT-Near-Infrared Spectroscopy to Predict the Mechanical Properties of Thermally Modified Southern Pine Wood LINK


Near Infrared

Fast Detection of Paprika Adulteration Using FT-NIR Spectroscopy – analytical techniques LINK

NIR spectroscopy to determine health of garlic cloves. vegetables LINK

Two-Dimensional MEMS Arrays Pave Way for Mobile Spectrometers. near-infrared (NIR) spectroscopy spectrometer LINK


Raman

Turning Raman into sound for Diagnostics – the Spectral Light Orchestra now here … LINK

Discrimination of Apple Liqueurs (Nalewka) Using a Voltammetric Electronic Tongue, UV-Vis and Raman Spectroscopy LINK


Optics

Perten NIR system approved for use in combustible dust environments – DA 7300 diode array LINK


Equipment

New DISB spectrometer electronics with fast timing for instrument integrators OEM LINK

Screening system for MDMA in ecstasy tablets using a portable NIR spectrometer LINK


Food & Feed

Food scientists: We can detect much more food fraud – rawMaterials ingredients spectroscopic monitoring LINK

Food2030EU a platform for research and innovation shaping tomorrow’s sustainable food systems. FoodInnovation nutrit… LINK!

There’s a better way to detect food fraud – The fingerprint, or spectrum, can be compared to a validated fingerprint LINK



What is a NIR calibration used for?

NIR calibrations are used for NIR contents analysis as a productive analytical method. That is a two step procedure.
  1. A NIR analyzer does a non-destructive optical scan of a sample that yields a measured spectrum in seconds.
  2. A NIR calibration model can quantitatively predict (analyze, determine, estimate) multiple constituents, ingredients, contents, analytes, assay, API and other parameters and attributes (chemical, physical, biological, biochemical, sensory) summarized as properties, out of a single spectrum in milli seconds.
The NIR analysis is a very fast non-destructive analysis method that can replace or backup slower methods like wet chemical analysis, chemistry laboratory, sensory panels or rheology (viscosity). Or a NIR calibration can open the door to new possibilities of analytics, quality assurance and process control, by developing calibration models for parameters that seems to be impossible, because they are based on human knowledge, empirical values or sensory like taste value. If you have an NIR instrument, you can measure your samples systematically and thus develop your own calibration models.

Benefit

The NIR Calibration service offers the following benefit: Saving money
  • Improving the accuracy and reliability of already used NIR calibration models have high potential in various manufacturing processes as well as in quality assurance.
  • increased accuracy of analysis => better control of the production process => optimum process flow => better quality => less waste => more throughput.
  • quick and inexpensive to create professional NIR calibration models.
  • relief of their own staff
Time savings
  • for data cleaning (increasing data quality) – missing data, outlier search, wrong data (conflicting information), outlier removal
  • for the search for the optimal NIR model parameter settings (calibration set, wavelength selection, data pretreatments, factor selection)
  • for the calculation of different variations of the model
  • for the validation, evaluation and selection of the optimal model (error, SEP, RMSEP, RMSEC, RPD, fit, R2, bias, slope, …)
  • time-consuming calculation of huge calibration models
  • no long trial and error and waiting in the used NIR software until the calibrations seems to work
NIR analytical accuracy
  • higher reliability due to accuracy and robustness of NIR calibration models
  • the possibility of comparison with your own created or already existing or purchased NIR calibrations
  • what performance increase of analytical accuracy is possible
  • improvement of robustness with respect to change of the product matrix and possible instruments drift
Professional NIR calibration models
  • decades of experience in chemometrics for NIR spectroscopy
  • based on theoretical and applied good practice and know-how
  • application of various guidelines and rules
  • application of vendor-independent NIR chemometric software
  • outsourcing of NIR calibration method development and calibration equation maintenance
  • improving the robustness of NIR prediction model
  • avoid traps and pitfalls of the complicated chemometrics
Detailed results
  • The service provides optimal calibration settings for your NIR data.
  • You get full insight into the NIR calibration, as it is produced and detailed statistical values as a performance index assisted with graphics.