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





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Spectroscopy and Chemometrics News Weekly #4, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 3, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 3, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 3, 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)

“Transcutaneous Near Infra-Red Spectroscopy (NIRS) for monitoring paediatric renal allograft perfusion” LINK

“Multivariate calibration: Identification of phenolic compounds in PROPOLIS using FTNIR” LINK

“Feasibility study of detecting palm oil adulteration with recycled cooking oil using a handheld NIR spectroscopy” LINK

“PREDICTION OF BIOACTIVE COMPOUNDS IN BARLEY BY NEAR-INFRARED REFLECTANCE SPECTROSCOPY (NIRS)” LINK

“A Systematic and Consistent Assay for High-throughput Characterization of Stalk Quality in Sugarcane by Near-infrared Spectroscopy” LINK

“Ultraviolet-visible/near infrared spectroscopy and hyperspectral imaging to study the different types of raw cotton” LINK




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

“Rapid qualitative identification and quantitative analysis of Flos Mume based on fourier transform near infrared spectroscopy” LINK

” Distinction of surgically resected gastrointestinal stromal tumor by near-infrared hyperspectral imaging” LINK

” Dataset of chemical and near-infrared spectroscopy measurements of fresh and dried poultry and cattle manure” LINK

“Utilizing near infrared hyperspectral imaging for quantitatively predicting adulteration in tapioca starch” LINK

“Near-infrared hyperspectral imaging for detection and visualization of offal adulteration in ground pork” LINK

“Comparative study of degradation between the carbon black back coat layer and magnetic layer in magnetic audio tapes using attenuated total reflectance Fourier transform infrared spectroscopy and machine learning techniques” LINK




Hyperspectral Imaging (HSI)

“Near-infrared hyperspectral imaging (NIR-HSI) and normalized difference image (NDI) data processing: an advanced method to map collagen in archaeological …” LINK

“Effect of curvature on hyperspectral reflectance images of cereal seed-sized objects” LINK

” Application of hyperspectral imaging to detect toxigenic Fusarium infection on cornmeal” LINK




Chemometrics and Machine Learning

“Determination of Conformational Changes of Polyphenol Oxidase and Peroxidase in Peach Juice during Mild Heat Treatment Using FTIR Spectroscopy Coupled with Chemometrics” LINK

“Model-Based Pre-Processing in Vibrational Spectroscopy” LINK

“Challenging handheld NIR spectrometers with moisture analysis in plant matrices: performance of PLSR vs. GPR vs. ANN modelling” LINK

“Maturity determination of single maize seed by using near-infrared hyperspectral imaging coupled with comparative analysis of multiple classification models” LINK

“Comparison of Soil Total Nitrogen Content Prediction Models Based on Vis-NIR Spectroscopy.” LINK

“Machine Learning-Based Presymptomatic Detection of Rice Sheath Blight Using Spectral Profiles.” LINK




Equipment for Spectroscopy

“Green analytical assay for the quality assessment of tea by using pocket-sized NIR spectrometer.” Caffeine Catechins Theanine LINK




Process Control and NIR Sensors

” Impact of Processing and Extraction on the Minor Components of Green Spanish-Style Gordal Table Olive Fat, as Assessed by Innovative Approaches” LINK




Environment NIR-Spectroscopy Application

“National-scale spectroscopic assessment of soil organic carbon in forests of the Czech Republic” LINK

“Image and Point Data Fusion for Enhanced Discrimination of Ore and Waste in Mining” LINK




Agriculture NIR-Spectroscopy Usage

” Evaluation of the physicochemical content and solid-state fermentation stage of Zhenjiang aromatic vinegar using near-infrared spectroscopy” LINK

“Non-invasive spectroscopic and imaging systems for prediction of beef quality in a meat processing pilot plant” LINK

“Compositional Analyses Reveal Relationships among Components of Blue Maize Grains” LINK

“Rapid Detection of the Quality of Miso (Japanese Fermented Soybean Paste) Using Visible/Near-Infrared Spectroscopy” LINK




Horticulture NIR-Spectroscopy Applications

“Optical Absorption and Scattering Properties at 900-1650 nm and Their Relationships with Soluble Solid Content and Soluble Sugars in Apple Flesh during Storage” LINK




Food & Feed Industry NIR Usage

“Feasibility of fraud detection in rice using a handheld near-infrared spectroscopy” LINK

“Feasibility of fraud detection in milk powder using a handheld near-infrared spectroscopy” LINK

“Wild barley, a resource to optimize yield stability and quality of elite barley: kumulative Dissertation” LINK

” Assessment of the vigor of rice seeds by near-infrared hyperspectral imaging combined with transfer learning” LINK




Laboratory and NIR-Spectroscopy

” Identification of peat type and humification by laboratory VNIR/SWIR hyperspectral imaging of peat profiles with focus on fen-bog transition in aapa mires” 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



Spectroscopy and Chemometrics News Weekly #39, 2020

NIR Calibration-Model Services

Safe Cost and Time with new NIR Model Development and Maintenance in the Analytical Testing Laboratory. | NIRS NIR instruments Spectrometer Infrared Spectroscopy Food Feed Dairy Sample Analysis Analytical Testing Laboratory LINK

NIR Spectroscopic Custom Applications for chemical analysis | laboratory analyzer analyser QA QC QAQC LINK

Spectroscopy and Chemometrics News Weekly 38, 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)

“Determination of green pea and spinach adulteration in pistachio nuts using NIR spectroscopy” LINK

“Improved prediction of ‘Kent’ mango firmness during ripening by near-infrared spectroscopy supported by interval partial least square regression” LINK

“Phytochemical composition and variability in Quercus ilex acorn morphotypes as determined by NIRS and MS-based approaches” LINK

“FT-NIR spectroscopy and RP-HPLC combined with multivariate analysis reveals differences in plant cell suspension cultures of Thevetia peruviana treated with …” LINK

“Combination of Convolutional Neural Networks and Recurrent Neural Networks for predicting soil properties using Vis–NIR spectroscopy” LINK

“Non-destructive determination of the main chemical components of red dragon fruit peel flour by using Near-Infrared Reflectance Spectroscopy (NIRS)” LINK

“Comparative VIS and NIR Raman and FTIR Spectroscopy of Lunar Analog Samples” LINK

“NearInfrared spectroscopy (NIRS) applications for high throughput phenotyping (HTP) for cassava and yam: A review” LINK

“Near infrared spectroscopy for rapid determination of solids content of amino resins” LINK




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

“Dual-slope imaging in highly scattering media with frequency-domain near-infrared spectroscopy.” LINK

“Non-destructive measurement of apple internal quality by using near-infrared spectroscopy” | LINK

“Feasibility Study on Use of Near Infrared Spectroscopy for Rapid and Non-Destructive Determination of Gossypol Content in Intact Cottonseeds” LINK

“NEAR INFRARED SPECTROSCOPY FOR SEPARATION OF TAUARI WOOD IN BRAZILIAN AMAZON NATIVE FOREST” LINK

“The use of infrared spectroscopy and machine learning tools for detection of Meloidogyne infestations” LINK

“simultaneous determination of moisture and berberine content in Coptidis Rhizoma and Phellodendri Chinensis Cortex by near-infrared spectroscopy” LINK




Raman Spectroscopy

Epic video for OpenRAMAN to celebrate first year on Patreon! LINK




Hyperspectral Imaging (HSI)

“Hyperspectral Imaging Coupled with Multivariate Analysis and Image Processing for Detection and Visualisation of Colour in Cooked Sausages Stuffed in Different …” LINK




Spectral Imaging

Point of care (POC) testing is designed to diagnose patients in the field, rather than in a medical facility. Ocean Insight offers highly integrated multispectral sensors reduces the complexity, footprint and cost of PCR instrumentation. Learn more: LINK




Chemometrics and Machine Learning

“Probabilistic classification models for the in situ authentication of Iberian pig carcasses using Near Infrared Spectroscopy” LINK

“Application of Chemometrics in Biosensing: A Brief Review” Biosensors LINK

“Rapid monitoring approaches for concentration process of lanqin oral solution by near-infrared spectroscopy and chemometric models.” LINK

“Establishment of Near-Infrared Prediction Models for Toluene Insoluble Substance and Other 3 Indexes of Medium Temperature Coal Pitch” LINK

“Modified selfadaptive model for improving the prediction accuracy of soil organic matter using laserinduced breakdown spectroscopy” LINK

“A Comparative Study of PLSR and SVM-R with Various Preprocessing Techniques for the Quantitative Determination of Soluble Solids Content of Hardy Kiwi Fruit by a Portable Vis/NIR Spectrometer.” LINK

“A Brief History of Whiskey Adulteration and the Role of Spectroscopy Combined with Chemometrics in the Detection of Modern Whiskey Fraud” LINK




Research on Spectroscopy

“Continuous and real-time indoor and outdoor methane sensing with portable optical sensor using rapidly pulsed IR LEDs.” LINK




Equipment for Spectroscopy

“OpenRAMAN: Open-Source Raman Spectrometer in 1 day” Raman Spectroscopy 3Dprinting LINK

“Nondestructive authentication of the regional and geographical origin of cocoa beans by using a handheld NIR spectrometer and multivariate algorithm.” LINK




Future topics in Spectroscopy

“Artificial Intelligence-as-a-Service Market-Growth, Trends, and Forecast (2020-2025)” ArtificialIntelligence AIaaS MarketGrowth LINK




Process Control and NIR Sensors

“Real Time Monitoring of Quality Attributes by Inline Fourier Transform Infrared Spectroscopic Sensors at Ultrafiltration and Diafiltration of Bioprocess” LINK




Agriculture NIR-Spectroscopy Usage

“Application of advanced molecular spectroscopy and modern evaluation techniques in canola molecular structure and nutrition property research” LINK

“Sensors, Vol. 20, Pages 4645: Wavelength Selection FOR Rapid Identification of Different Particle Size Fractions of Milk Powder Using Hyperspectral Imaging” LINK

“Role of Near Infrared Spectroscopy in Agriculture” LINK

“Comparison between synthetic and rosemary-based antioxidants for the deep frying of French fries in refined soybean oils evaluated by chemical and non-destructive …” LINK




Forestry and Wood Industry NIR Usage

“Phenotypic techniques and applications in fruit trees: a review.” LINK




Food & Feed Industry NIR Usage

“Rapid screening of DON contamination in whole wheat meals by Vis/NIR spectroscopy and computer vision coupling technology” LINK





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NIR Method Development Service for Labs and NIR-Vendors (OEM)


CalibrationModel.com ia a perfect match for
    – NIR Vendors    , selling NIR            , with limited capacity for NIR method development
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    LAB Reference Analytics + NIR Spectroscopy + ChemoMetrics
    LAB + NIR +
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NIR Method Development : Before / After
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    – The
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        DATA ->
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                                included, no extra cost

    DATA = exported
Spectra and (Lab-)reference values as JCAMP-DX or other data formats
    CALIB = single quantitative property


Sending DATA
    DATA is sent by email, 2-3 days later, receive email with link to
      WebShop to purchase CALIB with PayPal/CreditCard
    DATA is
deleted after processing (Terms of Service TOS)
    optional: JCAMP
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    CALIB is licensed to owner and so copy protected
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    owner can
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Re-Calibration
    DATA + DATA -> CALIB    same easy workflow as    DATA -> CALIB
    optimize from scratch, benefit from complete optimization possibilities
    
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NIR-Predictor Software
Contact us for predictor integration