Spectroscopy and Chemometrics News Weekly #1, 2019


Develop customized NIRS applications and freeing up hours of spectroscopy analysts time | spectroscopist chemist laboratory LINK

Increase Your Profit with optimized NIR Accuracy Beverage Processing Dairy LINK

Neue Möglichkeiten in der Entwicklung von Applikationen für die NIR-Analytik | Labor NIRS Analytik LaborAnalytik LINK

New : FREE NIR Predictor Software, drag&drop spectral data to plug&play calibrations, for any NIRS Analysis sensor type. | Chemometrics Prediction LINK

Service für professionelle Entwicklung von Nah-Infrarot Spektroskopie Kalibrations Methoden | NIRS Qualität Testen LINK

Spectroscopy and Chemometrics News Weekly 52, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors Spectrometry LINK


Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.


“Nocturnal Hypoglycemic Alarm Based on Near-Infrared Spectroscopy: In Vivo Studies with a Rat Animal Model.” LINK

“Hydrolysis kinetics of silane coupling agents studied by near-infrared spectroscopy plus partial least squares model” LINK

“Utilizing visible and near infrared spectroscopy based on multi-class support vector machines classification to characterize olive oil adulteration” LINK

“Analysis of Near-Infrared (NIR) Spectroscopy for Chlorophyll Prediction in Oil Palm Leaves” LINK

“基于卷积神经网络的烟叶近红外光谱分类建模方法研究” “The Study of Classification Modeling Method for Near Infrared Spectroscopy of Tobacco Leaves Based on Convolution Neural Network” LINK

Near Infrared

“Determination of the geographical origin of green coffee beans using NIR spectroscopy and multivariate data analysis” LINK

“Acton Optics & Coatings Develops New UV-NIR Neutral Density Filters That Offer Unmatched Broadband Performance” LINK

“The Influence of Packaging on Cosmetic Emulsion during Storage Assessed by FT-NIR Spectroscopy and Color Measurements” – Society of Cosmetic Chemists LINK

The Influence of Packaging on Cosmetic Emulsion during Storage Assessed by FT-NIR Spectroscopy and Color Measurements – Society of Cosmetic Chemists LINK

“Measurement of pesticide residues in peppers by near-infrared reflectance spectroscopy” NIRS LINK

“Near infrared reflectance spectroscopy of pasticceria foodstuff as protein content predicting method” NIRS NIR LINK

“Application of portable micro near infrared spectroscopy to the screening of extractable polyphenols in grape skins: A complex challenge.” vineyard NIR LINK

“Qualitative Identification of Pesticide Residues in Pakchoi Based on Near Infrared Spectroscopy” NIRS LINK

“稻谷有害霉菌侵染的近红外光谱快速检测” “Rapid Detection of Harmful Mold Infection in Rice by Near Infrared Spectroscopy” LINK

“Quantitative Characterization of Arnicae flos by RP-HPLC-UV and NIR Spectroscopy.” LINK


“Fast detection of cocoa shell in cocoa powders by Near Infrared Spectroscopy and multivariate analysis” LINK

“SDAE-BP Based Octane Number Soft Sensor Using Near-infrared Spectroscopy in Gasoline Blending Process” LINK

“Differentiating between bottled water from different sources using near-infrared spectroscopy” LINK

“Nondestructive Detection of Pesticide Residue on Banana Surface Based on Near Infrared Spectroscopy” LINK

“Raman spectroscopy of a near infrared absorbing proteorhodopsin: Similarities to the bacteriorhodopsin O photointermediate.” LINK

“Determination of Total Polysaccharides and Total Flavonoids in Chrysanthemum morifolium Using Near-Infrared Hyperspectral Imaging and Multivariate Analysis.” LINK


“Surface Chemistry of Oil-Filled Organic Nanoparticle Coated Papers Analyzed Using Micro-Raman Mapping” LINK


“Spectroscopy and Spectral Imaging Techniques for Non-destructive Food Microbial Assessment” LINK

“Evaluating Soybean Cultivars for Low- and High-Temperature Tolerance During the Seedling Growth Stage” Agronomy NIRS LINK


to acquire Celgene to create a leading innovative biopharma company LINK


“The nutritive value of hay from the family farms of northwestern Croatia” LINK

“A comparison study of five different methods to measure carotenoids in biofortified yellow cassava (Manihot esculenta)” LINK

“大気中光電子収量分光分析による有機薄膜半導体のエネルギー準位の測定” LINK

Spectroscopy and Chemometrics News Weekly #51, 2018


Customized NIR Calibrations – Increase Your Profit with optimized NIRS Accuracy | Mill Feed Food Process Quality LINK

Do you use Molecular Spectroscopy with Multivariate Regression Models? That will save you development time LINK

Increase Your Profit with optimized NIR Accuracy measure quality control parameters analyze diagnostics LINK

Increase Your Profit with optimized NIRS Accuracy QA QC Food Feed Lab PetCare vitamins LINK

NIR Machine Learning as a Service, a Game Changer for Productivity and Accuracy/Precision! ( NIRS Spectroscopy AI MLaaS ) LINK

Quantitative Analytical NIR Method Development for Quality Control Laboratory & Analytical Laboratories | Food QA QC Quality Control Laboratories LINK

Service for Professional development of NIRS calibration | Near-Infrared-Spectroscopy Testing Lab Laboratories LINK

Service für Professionelle NIR-Methoden Entwicklung (Kalibrierungen) | NIRS Near Infrarot Spektroskopie QAQC LINK

Spectroscopy and Chemometrics News Weekly 50, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors Spectrometry LINK


“Optimal Hyperspectral Characteristics Determination for Winter Wheat Yield Prediction” Remote Sensing LINK

“Quantifying several adulterants of notoginseng powder by near-infrared spectroscopy and multivariate calibration” LINK

“Vis-NIR spectroscopy Combined with Wavelengths Selection by PSO Optimization Algorithm for Simultaneous Determination of Four Quality Parameters and Classification of Soy Sauce” LINK

“Lifting Wavelet Transform De-noising for Model Optimization of Vis-NIR Spectroscopy to Predict Wood Tracheid Length in Trees” Sensors LINK

“Predicting some quality factors of annual ryegrass (Lolium multiflorum lam.) by means of spectral reflectance values.” LINK

Check out the 150+ excellent DeepLearning resources, articles, infographics, and tutorials for DataScientists that are available at | abdsc BigData DataScience AI MachineLearning Algorithms NeuralNetworks LINK

“Computer vision system and near-infrared spectroscopy for identification and classification of chicken with wooden breast, and physicochemical and technological characterization” LINK

Near Infrared

“Near infrared spectroscopy, the skeleton key for bone identification” NIRS LINK

“Inspiring people with process analytical technology” PAT NIRS analytical spectroscopy” LINK

“In Situ Measurement of Soil Carbon with Depth using Near Infrared (NIR) Spectroscopy” LINK

“Quantification of Total Phenolic and Carotenoid Content in Blackberries (Rubus Fructicosus L.) Using Near Infrared Spectroscopy (NIRS) and Multivariate Analysis” LINK


“NIR spectroscopy research in the Ozaki group for the last 30 years” LINK

“Comparison of Analysis Methods for Vigor of Naturally Aged Pepper Seeds using FT-NIR Spectroscopy” LINK

“Do it yourself hyperspectral imager for handheld to airborne operations” | HSI DIY 3dprint cases optics NIR NIRS LINK


“Antioxidant capacity of Camellia japonica cultivars assessed by near- and mid-infrared spectroscopy.” LINK

“SVM Optimization for Brain Tumor Identification Using Infrared Spectroscopic Samples” Sensors LINK

“Development of Technology for Determining Rice Amylose Content using Near-infrared Spectroscopy” LINK

“Application of Smartphone and Cloud Server Technology with Near Infrared Spectroscopy on Sugar Content Measurement” LINK

“Resonant Surface-Enhanced Infrared Spectroscopy (Resonant SEIRA) Using Metal Nanoantennas” LINK

“Effects of mechanical stretching, desorption and isotope exchange on deuterated eucalypt wood studied by near infrared spectroscopy.” LINK

“Osram launches Oslon Black SFH 4736 near-infrared LED for smart farming” LINK

“Integration of Independent Component Analysis with Near Infrared Spectroscopy for Evaluation of Tea Quality” LINK


“Tip-Enhanced Raman Spectroscopy: An Emerging Technique for Probing Biology and Electrochemistry at the Nanoscale” LINK

“Exploring Resonance Raman Spectroscopy” LINK

“In-vivo Raman spectroscopy: from basics to applications” LINK


“Spectrometer Design Guide” diffraction grating evaluation diode detector array sensor LINK


“Prediction of Douglas-Fir Lumber Properties: Comparison between a Benchtop Near-Infrared Spectrometer and Hyperspectral Imaging System” Applied Sciences LINK

“Vintage Plotter Turned Fruit Spectrometer” chlorophyll ripeness automated system RaspberryPi SparkFun laboratories LINK

“Low-cost on-chip optical spectrometers have high channel count and signal-to-noise ratio” LINK

“Portable Spectroscopy” handheld miniature smartphone spectrometers LINK

“A Comparison of Portable Infrared Spectrometers, Portable Raman Spectrometers, and Color-Based Field Tests for the On-Scene Analysis of Cocaine” LINK


“Effects of carbon on moisture storage in soils of the Wisconsin Central Sands, USA” LINK

“Precision Livestock Feed Production Using Dynamic Approaches” LINK

Agriculture 4.0: How digital farming is revolutionizing the future of food hyperspectral LINK


“Raw material quality assessment approaches comparison in pectin production” LINK

“Novel Techniques for Evaluating Freshness Quality Attributes of Fish: A Review of Recent Developments” LINK

“Vorreiter für Spektrometer im Briefmarkenformat – Laborpraxis” LINK


“Coherent injection locking of quantum cascade laser frequency combs” LINK

“Novel Laser Technology for Microchip-Size Chemical Sensors” LINK

Spectroscopy and Chemometrics News Weekly #21-24, 2017


DD-SIMCA A MATLAB GUI tool for data driven SIMCA approach LINK

Fourier transform infrared spectroscopy coupled with chemometrics for determining geographical origin of kudzu root LINK

Chemical Variability & Calibration Algorithms on Prediction of Solid Fraction of Compacted Ribbons Using NIR LINK

Calibration transfer of flour NIR spectra between benchtop and portable instruments LINK

Rapid Prediction of Moisture Content in Intact Green Coffee Beans Using Near Infrared Spectroscopy LINK

Calibration transfer of flour NIR spectra between benchtop and portable instruments LINK

Simultaneous Quantification of Paracetamol and Caffeine in Powder Blends for Tableting by NIR-Chemometry LINK

Model evaluation, model selection, and algorithm selection in machine learning. MachineLearning LINK

Development & Validation of a New Near-Infrared Sensor to Measure Polyethylene Glycol (PEG) Concentration in Water LINK

Near Infrared

In-situ & real-time monitoring of ultrasonic-assisted enzymatic hydrolysis process of corn gluten meal by NIRS LINK

Near-Infrared Spectroscopic Evaluation of Water Content of Molded Polylactide under the Effect of Crystallization LINK

Repetition Suppression in Aging: A Near-Infrared Spectroscopy Study on the Size-Congruity Effect LINK

Broadband Light Source and Its Application to Near-Infrared Spectroscopy | sensor via LINK

Industrial applications using NIR chemical imaging LINK

Analysis of oilseeds for protein, oil, fiber and moisture by near-infrared reflectance spectroscopy LINK

Global Near Infrared Spectroscopy Market to Grow at a CAGR of Over 9% Through 2021, Reports Technavio -Business Wire LINK

Optical Sensors Advancing Precision in Agricultural Production – near-infrared spectroscopy (NIRS) LINK

“Could NIRS be useful to digital agriculture?”, high quality keynote by Veronique Bellon-Maurel from & … LINK!

Near Infrared (NIR) Spectroscopy for plant health monitoring! electronics engineering optics LINK


Raman Spectroscopy of Blood and Blood Components LINK


Short Wave Infrared and its use in Hyperspectral Imaging – SWIR HSI LINK


Make or buy your spectrometer – OEM Spectrometer LINK


Video: How near-infra red technology measures grass quality … LINK


Leveraging IoT to Improve Data Collection for Agriculture LINK

Food & Feed

‘Infrared spectrometers: NIR and MIR compared’ from the course ‘Identifying FoodFraud’. LINK


“Spectroscopy for the Masses” | Spectroscopy via LINK

Online Partial Least Square Optimization: Dropping Convexity for Better Efficiency. 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.

What is JCAMP-DX ?

JCAMP-DX is a Electronic Data Standards for long-term storage and transfer of chemometric information. The standard is development by the International Union of Pure and Applied Chemistry (IUPAC).

JCAMP-DX is an abreviation for the Joint Committee on Atomic and Molecular Physical data – Data eXchange.

It is an human readable file format that is used to store near infrared spectrometry data (and others like Raman, UV, NMR, mass, x-ray, chromatograms, thermograms) and related chemical and physical information and is used since the late 80s.

Almost all NIR-software packages can export the spectra including the reference values as JCAMP-DX. A single file can contain multiple spectra and reference values. A JCAMP file name looks like “sample.dx“, “sample.jdx” or “sample.jcm“.

All data are stored as labeled fields of variable length using printable ASCII characters. Such files can be loaded in an text editor to check the content:

##TITLE= Indene (FILE: AFIR2.DX)
$$ FILE AFIR2.DX ( derived from TFIR2.DX)
##JCAMP-DX= 4.24 $$ Encoded by INTTODX 1.04 (RS McDonald)
##ORIGIN= JCAMP-DX Test Disk 1.04
R.S.McDonald, 9 Woodside Dr., Burnt Hills, NY 12027, 518-399-5145
##OWNER= Public Domain
##XFACTOR= 1.000000000
##YFACTOR= 0.000100000
##FIRSTX= 400.000
##LASTX= 4.000E+03
##NPOINTS= 3601
##FIRSTY= 3.487E-1
##XYDATA= (X++(Y..Y))
400 3487 3355 3264 3198 3153 3143 3182 3298 3520 3845 4262
411 4783 5449 6304 7383 8684 10209 12041 14123 16003 16162 14191
422 11791 9674 7943 6540 5406 4528 3874 3397 3045 2780 2584
433 2446 2354 2290 2246 2212 2187 2165 2135 2087 2022 1945
444 1865 1786 1713 1649 1596 1550 1512 1478 1448 1422 1401

The standard can be downloaded here: “JCAMP-DX: A Standard Form for the Exchange of Infrared Spectra in Computer Readable Form“, ROBERT S. McDONALD and PAUL A. WILKS, JR., Appl. Spectrosc. 42(1), pp151-162, 1988

What is NIR-Spectroscopy? (simple explanation, simply explained)

In the most cases a simple Halogen lamp emits light including the near infrared (NIR) spectrum (harmless radiation) to the sample/probe and the reflected light is measured. The light loses some energy on-and-in the sample depending on its physical and chemical (molecular) structure. The missing part of the light is treated as a fingerprint of the sample that is mathematically analyzed with prefabricated NIR calibration models (built with chemometric methods), based on trained known samples. That makes it possible to simultaneous analyze multiple physical- and chemical-properties (constituent, ingredient, analyte) within a few seconds and is non-destructive to samples.