Spectroscopy and Chemometrics News Weekly #50, 2015

Chemometrics

A rapid and non-invasive method for the classification of natural tannin extracts by near-infrared spectroscopy … LINK

“Pattern recognition in chemometrics” | HistoricReview chemometrics PatternRecognition LINK

“Chemical and mathematical resolution” | Chemometrics CurveResolution LINK


Near Infrared

Guest Editorial: Near infrared spectroscopy in China LINK

New sortable colourants to aid recovery of plastics with near infrared (NIR) spectroscopy LINK

Accurate Detection of API Release from Sustained-Release Tablets Using Near-Infrared Spectroscopy -News-Medical.net LINK

NIRS technology used to determine and reduce the amount of salt in cured ham LINK

Taschengroßer Frucht Scanner SUNFOREST P-100 Miniatur-NIR-Spektrometer – fruchtportal.de | fruits LINK


Infrared

Assessing Potato Chip Oil Quality using a Portable Infrared Spectrometer Combined with Pattern Recognition … | FTIR LINK


Raman

Compact and thin, built-in high-sensitivity CMOS image sensor for Raman spectroscopy LINK


Process Control

“Hübner Acquires Cobolt, Expanding Test and Measurement, Process Control…” -Photonics.com | ProcessControl LINK


Agriculture

Precision feeding the beef herd: Nutrient analysis of feedstuffs – Michigan State University Extension | NIRanalysis LINK


Laboratory

UV/VIS/NIR Spectroradiometer Performs Soil Analysis – Laboratory Equipment | SoilAnalysis LINK


Other

Google Says It Has Proved Its Controversial Quantum Computer Really Works via LINK


CalibrationModel.com

Advertise Your NIR Spectrometer With Us! Reach your target audience We offer Banner advertising | NIRS NIRanalysis LINK

Improve Accuracy of fast Nondestructive NIR Measurements by Optimal Calibration | Food ag Lab LINK

NIR-Analysen Verbesserung der Genauigkeit, Präzision und Robustheit Near-Infra-Red Instruments FoodSafety testing LINK

NewsLetter: Spectroscopy and Chemometrics News Weekly KW49,2015 | Molecular Spectroscopy NIRS Chemometrics Raman LINK

Spectroscopy and Chemometrics News Weekly KW49,2015 | infrared Spectroscopy NIRS NIRspec LINK

Start Optimizing. Use Calibration Model for your customized NIR Applications | NIRS Spectroscopy QAQC process LINK


Potential usage of NIR analysis and its industry fields of applications

What is typically measured by NIR Analysis? NIR Calibrations are used for the determination of the content of moisture, fat, protein, starch, lactose, fructose, glucose, alcohol, amino acids, oil, sugar, fiber, salt, Brix, caffeine, lysine, ash, gluten, etc. Where is near-infrared spectroscopy analysis used? NIR Analysis used in the industry area of
  • Agriculture
  • Food and Feed
  • Food and Beverages
  • Food and Dairy
  • Malt houses and breweries
  • Milling and Bakery
  • Flour, Grain milling and oils
  • Sugar
  • Feed Ingredients
  • Edible Oils
  • Meats
  • Animal feed
  • Aqua Feed
  • Pet Food and Animal Proteins
  • Dried and Wet Forage
  • Beverage and Biofuels
  • Chemical and Pharma
  • Pharmaceuticals
  • Pulp and Paper
  • Petro
  • Oil and Gas
  • Plastics
  • Polymers
  • Textiles
  • Packaging
  • Environmental
  • Forensics
  • Academia
  • Cosmetics
  • Health care

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.

Recent advanced chemometric methods

You are searching for recent advanced chemometric methods to get better calibration models for NIR? Methods and algorithms like:
  • Artificial Neural Networks (ANN)
  • General Regression Neural Networks (GR-NN)
  • RBF Neural Networks (RBF-NN)
  • Support Vector Machines (SVM)
  • Multiway Partial Least Squares (MPLS),
  • Orthogonal PLS (OPLS), (O-PLS), OPLS-AA, OPLS-ANN
  • R-PLS, UVE-PLS, RUVE-PLS, LOCAL PLS
  • Hierarchical Kernel Partial Least Squares (HKPLS)
  • Random Forest (RF)
  • etc.
and data pre-processing methods like
  • Extended Multiplicative Signal Correction (EMSC)
  • Orthogonal Signal Correction (OSC)
  • Dynamic Orthogonal Projection (DOP)
  • Error Removal by Orthogonal Subtraction (EROS)
  • External Parameter Orthogonalization (EPO)
  • etc.
that are partly available as modules for software packages like Matlab, Octave, R-Project, etc. Why invest a lot of time and money with new tools? Have you tried it really hard to optimize your calibrations with standard chemometrics methods like Partial Least Squares (PLS), Principal Component Regression (PCR) and Multiple Linear Regression (MLR) which are available in all chemometric software packages? Are you sure you have tried all the good rules and optimization possibilities? Get it done right with the compatible standard methods, we are specialized in optimization and development of NIR calibrations, let us help you, give us a try!