Spectroscopy and Chemometrics News Weekly #20, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 19, 2021 | NIRS NIR Spectroscopy MachineLearning spectrometer Spectrometric Analytical Chemistry chemical analysis labs laboratories laboratory IoT material sensor QAlab QClab Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 19, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 19, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK



This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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


Near-Infrared Spectroscopy (NIRS)

“Absolute calibration of the spectral responsivity of thermal detectors in the near-infrared (NIR) and mid-infrared (MIR) regions by using blackbody radiation” LINK

“Quantifying the minerals abundances on planetary surfaces using VIS-NIR spectroscopy, what uncertainties should we expect? General results and application to the …” LINK

“Histamine Control in Raw and Processed Tuna: A Rapid Tool Based on NIR Spectroscopy” LINK

“Fast at-line characterization of solid organic waste: Comparing analytical performance of different compact near infrared spectroscopic systems with different measurement configurations” LINK

“Developing and testing a new quantitative near infrared spectroscopy online tracking measuring system for soil detection during automatic dishwashing” LINK

“Near infrared spectroscopy (NIRS) as tool for classification into official commercial categories and shelf-life storage times of pre-sliced modified atmosphere packaged Iberian dry-cured loin” LINK

“Relating Near-Infrared Light Path-Length Modifications to the Water Content of Scattering Media in Near-Infrared Spectroscopy: Toward a New Bouguer-Beer-Lambert Law” LINK

“Non-invasive identification of dyed textiles by using VIS-NIR FORS and hyperspectral imaging techniques” LINK

“The potential of handheld near infrared spectroscopy to detect food adulteration: Results of a global, multi-instrument inter-laboratory study” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Hyperspectral and Infrared Image Collaborative Classification Based on Morphology Feature Extraction” LINK

“Generic models for rapid detection of vanillin and melamine adulterated in infant formulas from diverse brands based on near-infrared hyperspectral imaging” LINK

“Rapid determination of fructooligosaccharide in solar-dried banana syrup by using near-infrared spectroscopy” LINK

“Sampling Optimization for Blend Monitoring of a Low Dose Formulation in a Tablet Press Feed Frame Using Spatially Resolved Near-Infrared Spectroscopy” LINK

“Data Fusion of UV-Vis and FTIR Spectra Combined with Principal Component Analysis for Distinguishing of Andrographis paniculata Extracts Based on Cultivation Ages and Solvent Extraction” LINK

“Evaluation of swelling properties and drug release from mechanochemical pre-gelatinized glutinous rice starch matrix tablets by near infrared spectroscopy” LINK

” Research Note: Non-destructive Detection of Super Grade Chick Embryos or Hatchlings using Near-infrared Spectroscopy” LINK

“Defining Eucalyptus urophylla with its hybrid and the rules of genetic recombination using near infrared spectroscopy” LINK

“Sensitivity of Near-Infrared Permanent Laser Scanning Intensity for Retrieving Soil Moisture on a Coastal Beach: Calibration Procedure Using In Situ Data” LINK

“Authentication of Antibiotics Using Portable Near-Infrared Spectroscopy and Multivariate Data Analysis” LINK

“Qualitative identification of waste textiles based on near-infrared spectroscopy and the back propagation artificial neural network” LINK

“Sampling Optimization for Blend Monitoring of a Low Dose Formulation in a Tablet Press Feed Frame Using Spatially Resolved Near-Infrared Spectroscopy.” LINK

“Development of a Novel Green Tea Quality Roadmap and the Complex Sensory-associated Characteristics exploration using Rapid Near-Infrared Spectroscopy …” LINK




Hyperspectral Imaging (HSI)

“A Scalable Approach for the Efficient Segmentation of Hyperspectral Images” LINK

“Hyperspectral image classification via principal component analysis, 2D spatial convolution, and support vector machines” LINK




Chemometrics and Machine Learning

“Comparison of methods to predict feed intake and residual feed intake using behavioral and metabolite data in addition to classical performance variables”LINK

“Insights into chemometric algorithms for quality attributes and hazards detection in foodstuffs using Raman/surface enhanced Raman spectroscopy” LINK

“A conjunction of <em>sn-</em>2 fatty acids and overall fatty acid composition combined with chemometric techniques increase the effectiveness of lard detection in fish feed” LINK




Equipment for Spectroscopy

“Physicochemical Analysis and Adulteration Detection in Malaysia Stingless Bee Honey Using a Handheld NearInfrared Spectrometer” LINK

“A Near-Infrared “Matchbox Size” Spectrometer to Detect and Quantify Malaria Parasitemia” LINK




Process Control and NIR Sensors

“A Hybrid NIR-Soft Sensor Method for Real Time In-Process Control During Continuous Direct Compression Manufacturing Operations” LINK

“Aging of polypropylene probed by near infrared spectroscopy” LINK




Environment NIR-Spectroscopy Application

“Satellite image processing based on percolation for physicochemical analysis of soil cover of industrial waste facilities” LINK




Agriculture NIR-Spectroscopy Usage

“progress update towards an international standard for push-broom hyper-spectral imagers” IEE LINK

“Hyperspectral imaging for the determination of the main unsaturated fatty acid distribution in shelled almonds analysed in bulk” LINK

“Nutrient Prediction for Tef (Eragrostis tef) Plant and Grain with HyperspectralData and Partial Least Squares Regression: Replicating Methods and Results across Environments” LINK

“Rapid and real-time detection of black tea fermentation quality by using an inexpensive data fusion system” LINK

“The application of spectroscopy techniques for diagnosis of malaria parasites and arboviruses and surveillance of mosquito vectors: A systematic review and critical appraisal of evidence” LINK

“Near infrared spectroscopy of plantation forest soil nutrients in Sabah, Malaysia, and the potential for microsite assessment” LINK




Food & Feed Industry NIR Usage

“Simultaneous assessment of nitrogen and water status in winter wheat using hyperspectral and thermal sensors” LINK

“Detection of Meat Adulteration Using Spectroscopy-Based Sensors” Foods LINK

“Assessment of Bulk Composition of Heterogeneous Food Matrices Using Raman Spectroscopy” LINK

“Composition and properties of bovine milk: A case study from dairy farms in Northern Sweden; Part II. Effect of monthly variation” LINK

“Characterization of the Triacylglycerol Fraction of Italian and Extra-European Hemp Seed Oil” Foods LINK

“Nondestructive Determination of Kiwifruit SSC using Visible/Near-Infrared Spectroscopy with Genetic Algorithm” LINK

“Hyperspectral assessment of leaf nitrogen accumulation for winter wheat using different regression modeling” | LINK

“Study of Spectral Response Characteristics of Oilseed Rape (Brassica napus) to Particulate Matters Based on Hyper-Spectral Technique” LINK




Other

“Analysing spectroscopy data using two-step group penalized partial least squares regression” LINK

“Influence of type of video contents and display resolution on physiological and psychological evaluation” LINK

“PVC based flexible nanocomposites with the incorporation of Polyaniline and Barium Hexa-Ferrite nanoparticles for the shielding against EMI, NIR, and thermal …” LINK

Exposing ears to near infrared light (NIR) could prevent noise-induced hearing loss, according to studies by and US scientists. Shining NIR into the ears of mice for 10 minutes prevented cell death, and hearing loss was reduced. EARA LINK





.

Digitization in the field of NIR spectroscopy (smart sensors)

Digitalization is advancing, also in NIR spectroscopy, which enables trainable miniature smart sensors e.g. for analyses in the food&feed, chemical and pharmaceutical sectors.

The calibration is the core of a NIR spectroscopy sensor, it enables the numerous applications and should therefore not be the weakest link in the measurement chain.

The development of calibrations that turn NIR spectrometers into smart sensors is done manually by experts (NIR specialist, chemometrician, data scientist) with so-called chemometrics software.

This is very time-consuming (time to market) and the result is person-dependent and thus suboptimal, because each expert has his own preferred way of proceeding. In addition, the calibrations have to be maintained, as new data has been collected in the meantime, which can be used to extend and improve the calibrations.

This is where our automated service comes in, combining the knowledge and good practices of NIR spectroscopy and chemometrics collected in one software and using machine learning to generate optimal calibrations.

Based on this, we have developed a complete technology platform (Time to Market) that covers the entire process from sending NIR + Lab data, to NIR Calibration as a Service, from online purchase of calibrations, to NIR Predictor software that directly evaluates newly measured NIR data locally and generates result reports.

Besides the free desktop version with user interface, the NIR Predictor can also be integrated (OEM). This can be integrated in parallel as a complement to your current Predictor, allowing the user to choose how they want to calibrate. And give them the advantage in NIR feasibility studies and NIR spectrometer evaluations to quickly provide the customer with a solid and accurate calibration that will make their NIR system deliver better results.

Advantages for your NIR users (internal or external)
  • no initial costs (no chemometrics software license required),
  • calculable operating costs (fixed amount instead of time and hourly rate) (calibration development, calibration maintenance)
  • easy to use (no chemometrics and software training),
  • quicker to use (no calibration development work) and
  • better calibrations (precision, accuracy, robustness, …)


Our chargeable service is based on the calibration development and the annual calibration use. Calibration development and calibration use can also be carried out separately (manufacturer / user).

For you as a spectrometer manufacturer, this means that you can deliver your system pre-calibrated for certain applications without incurring software license costs. And without your application specialists having to provide additional calibration services.

The unique advantages of our calibration service together with the free NIR Predictor are:
  • no software license costs (chemometrics software, predictor software, OEM integration)
  • no chemometrics know-how necessary
  • no time needed to develop optimal NIR calibrations.


If interested in using/evaluating the service :

About CalibrationModel.com : Time and knowledge intensive creation and optimization of chemometric evaluation methods for spectrometers as a service to enable more accurate analysis and measurement results.



see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper



NIR-Spectroscopy and Chemometrics News Weekly #43, 2020

NIR Calibration-Model Services

The free NIR-Predictor is an easy to use software for all NIR devices to produce quantitative results out of spectral data. Supports GRAMS .SPC, CSV, JCAMP and multiple native file formats of mobile and desktop spectrometers. VisNIR NIRS labequipment LINK

Do you use a near-infrared spectrometer with chemometric Methods? This will save you time | NIR NIRS VisNIR spectroscopy foodanalysis LINK

Spectroscopy and Chemometrics News Weekly 42, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK




Near-Infrared Spectroscopy (NIRS)

“Meat freshness revealed by visible to near-infrared spectroscopy and principal component analysis” LINK

“Fish Freshness Assessment using NIR spectroscopy” LINK

“Discrimination of Various Clones of Black Tea Using NIR Spectroscopy” LINK

“Latest work using handheld and benchtop NIRS devices to predict forage nutritive value” LINK

“Combining multivariate method and spectral variable selection for soil total nitrogen estimation by VisNIR spectroscopy” LINK

“Combination of NIR spectroscopy and machine learning for monitoring chili sauce adulterated with ripened papaya” LINK

“USING SPECTROSCOPY AND SUPPORT VECTOR REGRESSION TO PREDICT GASOLINE CHARACTERISTICS: A COMPARISON OF 1H NMR AND NIR” LINK

“Determination of metmyoglobin in cooked tan mutton using Vis/NIR hyperspectral imaging system.” | LINK

“Towards Fruit Maturity Estimation Using NIR Spectroscopy” LINK

“Remote and Vis-NIR spectra sensing potential for soil salinization estimation in the eastern coast of Urmia hyper saline lake, Iran” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Control of the extractable content of bioactive compounds in coffee beans by near infrared hyperspectral imaging” LINK

“Detection of Adulteration of Tapioca Starch with Dolomite by near Infrared Hyperspectral Imaging” LINK

“Near infrared absorption spectroscopy for the quantification of unsulfated alcohol in sodium lauryl ether sulfate” LINK

“A Residual Neural Network based Method for The Classification of Tobacco Cultivation Regions Using Near-infrared Spectroscopy Sensors” LINK

“Identification of ginseng according to geographical origin by near-infrared spectroscopy and pattern recognition” LINK

“Application of Near-Infrared Spectroscopy for Rice Characterization Using Machine Learning” LINK




Hyperspectral Imaging (HSI)

“Heavy metal Hg stress detection in tobacco plant using hyperspectral sensing and data-driven machine learning methods” LINK




Chemometrics and Machine Learning

“Assessment of total antioxidant capacity of altiplano colored quinoa (Chenopodium quinoa Willd) by visible and near-infrared diffuse reflectance spectroscopy and chemometrics” LINK

“Non-destructive discrimination of Illicium verum from poisonous adulterant using Vis/NIR hyperspectral imaging combined with chemometrics” LINK

“Classification of Smoke Contaminated Cabernet Sauvignon Berries and Leaves Based on Chemical Fingerprinting and Machine Learning Algorithms.” LINK

“Evaluation of temperature compensation methods for a nearinfrared calibration to predict the viscosity of micellar liquids” LINK

“FTIR spectroscopy with chemometrics for determination of Tylosin residues in milk” LINK




Optics for Spectroscopy

“Synthesis, growth, optical and third-order nonlinear optical properties of glycine sodium nitrate single crystal for photonic device applications” LINK




Research on Spectroscopy

“Low-cost analytic method for the identification of Cinnamon adulteration” LINK




Equipment for Spectroscopy

“Comparative analysis of rapid quality evaluation of Salvia miltiorrhiza (Danshen) with Fourier transform near-infrared spectrometer and portable near-infrared …” LINK




Process Control and NIR Sensors

“Experimental investigations on DC magnetron sputtering process parameters with optimization of Al thin film properties deposited on glass substrate” LINK




Agriculture NIR-Spectroscopy Usage

“Foods, Vol. 9, Pages 1273: Changes in Physical and Chemical Properties of Thermally and Oxidatively Degraded Sunflower Oil and Palm Fat” LINK

“Map-based site-specific seeding of consumption potato production using high-resolution soil and crop data fusion” LINK

“Short-term tundra plant-community nutrient responses to herbivory and warming: New insights from Near infrared-reflectance spectroscopy methodology” LINK

“Evaluation of soybean condition under various fertilizer application by the relationship of the red and near-infrared bands reflectance in scatter plot” LINK

“Prediction Accuracy Improvement of Indonesian Dairy Cattle Fiber Feed Compositions Using Near-Infrared Reflectance Spectroscopy Local Database” LINK




Horticulture NIR-Spectroscopy Applications

“Overall precision test of near infrared spectroscopy on mango fruits (Mangifera indica CV.’Nam Dok Mai Si Thong’) by on-line and off-line systems” LINK

“The overall precision test for near infrared scanning and reference method for the determination of soluble solids content and pH of mango for processing factory” LINK

“Non-destructive visible and short-wave near-infrared spectroscopic data estimation of various physicochemical properties of Fuji apple (Malus pumila) fruits at different maturation stages” LINK




Laboratory and NIR-Spectroscopy

“Pasture Quality Analysis–Comparison of pasture analysis techniques and results” LINK




Other

“Chemodiversity and antibacterial activity of the essential oil of leaves of Croton argyrophyllus Kunth” LINK





.

NIR Analysis in Laboratory and Laboratories – aka NIR Labs and NIR testing


Do you have a NIR spectrometer in your Lab?

How many other analytics you do in the Lab could be done faster and cheaper with NIR?

Is this possible and precise enough?

Try, we have the solution for you!
You have the NIR, scan the samples, you have the lab values and the spectra, we calibrate for you!

To see if the application is possible and how precise it can be due to knowledge based intensive model optimizations.

We do the NIR feasibility study with data for you. Fixed prices

NIR has huge application potentials and it’s a Green analytical method, that’s fast and easy to use. And has today the possibility to scale out with inexpensive mobile NIR spectrometers.

Bring the Lab to the sample. To avoid sample transport and get immediate results for decision at the place or in the process.

Just try the NIR application, use the NIR daily, collect data in parallel, we develop, optimize and maintain the calibration models for you.

How do you think?

Start Calibrate


What is possible today with NIR?
The number of different Applications exploded in the last 2-3 years!
See NIR research papers news daily on @CalibModel or the 7-day summariesNIR News Weekly” here.