Spectroscopy and Chemometrics, Machine-Learning News Weekly #32, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 31, 2022 | 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)

“NIRS Prediction of SOM, TN and TP in a Meadow in the Sanjiang Plain, China” LINK

ICYMI: This non-invasive glucose monitor, designed by Egyptian students, uses near-infrared spectroscopy to measure blood sugar levels LINK

“Feasibility of near infrared spectroscopy for estimating suppressiveness of carnation (Dianthus cariophyllus L.) fusarium wilt in different plant growth media” LINK

“The assessment of reflectance ratios for determination of water content in leaves using shorter end of near-infrared spectroscopy” LINK

“Rapid identification of the storage duration and species of sliced boletes using near-infrared spectroscopy” | LINK

“Sensor Fusion and Interpretation of Chemical Information in the Performance Profiles of Miniaturized NIR Sensors in Food Analytical Framework” LINK

“A rapid and effective method for species identification of edible boletes: FT-NIR spectroscopy combined with ResNet” LINK

“Foods : Chemometric Differentiation of Sole and Plaice Fish Fillets Using Three Near-Infrared Instruments” LINK

“Screening method for the rapid detection of diethylene glycol in beer based on chemometrics and portable near-infrared spectroscopy” LINK

“Feasibility study on early identification of freshness decay of fresh-cut kiwifruit during cold chain storage by Fourier transform-near infrared spectroscopy combined with chemometrics” LINK

“Study on robust model construction method of multi-batch fruit online sorting by near-infrared spectroscopy” LINK

“Feasibility study on early identification of freshness decay of freshcut kiwifruit during cold chain storage by Fourier transformnear infrared spectroscopy combined with chemometrics” LINK

“A novel handheld FT-NIR spectroscopic approach for real-time screening of major cannabinoids content in hemp” LINK

“Rapid detection of talc content in flour based on near-infrared spectroscopy combined with feature wavelength selection” LINK

“Inversion of soil properties in rare earth mining areas (southern Jiangxi, China) based on visible-near-infrared spectroscopy” | LINK

“A feasibility study on nondestructive classification of frozen Atlantic salmon (Salmo salar) fillets based on temperature history at the logistics using NIR spectroscopy” | LINK

“A feasibility study on nondestructive classification of frozen Atlantic salmon (Salmo salar) fillets based on temperature history at the logistics using NIR spectroscopy” LINK

“A NIRS Based Device for Identification of Acute Ischemic Stroke by Using a Novel Organic Dye in the Human Blood Serum” LINK

“Normal spontan vaginal doğum ile doğan term bebeklerde geç göbek klemplenmesinin böbrek fonksiyonları ve perfüzyonu üzerine etkisinin near infrared …” LINK

“Potential of visible and near infrared spectroscopy coupled with machine learning for predicting soil metal concentrations at the regional scale” LINK

” Can Intraoperative Near-Infrared Spectroscopy Monitoring a Reliable Monitoring Method in Preventing Neurocognitive Dysfunction in Cardiac Surgery …” LINK

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

“Rapid identification of the storage duration and species of sliced boletes using nearinfrared spectroscopy” LINK

“Towards fullspectrum photocatalysis: extending to the near infrared region” LINK

“Antimicrobial evaluation of the Cynara cardunculus extract in Helicobacter pylori cells using midinfrared spectroscopy and chemometric methods” LINK

“Spectral variable selection for estimation of soil organic carbon content using mid-infrared spectroscopy” LINK

“Infrared spectroscopy and chemometric applications for the qualitative and quantitastive investigation of grapevine organs.” LINK

Hyperspectral Imaging (HSI)

“Assessing Grapevine Biophysical Parameters From Unmanned Aerial Vehicles Hyperspectral Imagery” | LINK

“Simultaneous High-Throughput Monitoring of Urethane Reactions Using Near-Infrared Hyperspectral Imaging” LINK


“Non-destructive assessment of equivalent umami concentrations in salmon using hyperspectral imaging technology combined with multivariate algorithms” LINK

Spectral Imaging

“Remote Sensing : Prediction of the Nitrogen, Phosphorus and Potassium Contents in Grape Leaves at Different Growth Stages Based on UAV Multispectral Remote Sensing” LINK

“Open-source mobile multispectral imaging system and its applications in biological sample sensing” LINK

Terahertz Spectroscopy

“Detection of Adulteration of Panax Notoginseng Powder by Terahertz Technology” | LINK

Chemometrics and Machine Learning

“In silico NIR spectroscopy-a review. Molecular fingerprint, interpretation of calibration models, understanding of matrix effects and instrumental difference” LINK

“Sensors : Exploring Built-Up Indices and Machine Learning Regressions for Multi-Temporal Building Density Monitoring Based on Landsat Series” LINK

“Remote Sensing : Machine Learning Classification of Fused Sentinel-1 and Sentinel-2 Image Data towards Mapping Fruit Plantations in Highly Heterogenous Landscapes” LINK

“Multivariate methods with feature wavebands selection and stratified calibration for soil organic carbon content prediction by VISNIR Spectroscopy” LINK

Research on Spectroscopy

“A Review of Advanced Methods for the Quantitative Analysis of Single Component Oil in Edible Oil Blends” LINK

“ElectronRich 3,4Ethylenedioxythiophene (EDOT) Linkers in Tetracationic bisTriarylborane Chromophores: Influence on WaterStability, Biomacromolecule Sensing, and Photoinduced Cytotoxicity” LINK

“Selection of the Effective Characteristic Spectra Based on the Chemical Structure and Its Application in Rapid Analysis of Ethanol Content in Gasoline” | LINK

“A Novel Blue Excited White Light Emitting Srwo4: Pr3+ Phosphors for Single Phase White-Led Applications” LINK

Equipment for Spectroscopy

“The Ever-Shrinking Spectrometer: New Technologies and Applications” LINK

Future topics in Spectroscopy

“The Effect of Task Performance and Partnership on Interpersonal Brain Synchrony during Cooperation” | LINK

Process Control and NIR Sensors

“Implementation of Dynamic and Static Moisture Control in Fluidized Bed Granulation” | LINK

Environment NIR-Spectroscopy Application

“Can in situ spectral measurements under disturbance-reduced environmental conditions help improve soil organic carbon estimation?” LINK

“Remote Sensing : Satellite Imagery to Map Topsoil Organic Carbon Content over Cultivated Areas: An Overview” LINK

Agriculture NIR-Spectroscopy Usage

“Composition Dependence of Structural, Optical, Magnetic and Photodegradation Properties of Nanocrystalline NiO/CuO Heterostructured Powders” LINK

“Agriculture : Potato Late Blight Severity and Epidemic Period Prediction Based on Vis/NIR Spectroscopy” LINK

“Prefrontal cortex oxygenation and autonomic nervous system activity under transcutaneous auricular vagus nerve stimulation in adolescents” LINK

“Prediction of protein and amino acid contents in whole and ground lentils using near-infrared reflectance spectroscopy” LINK

“Determination of nutritional health indexes of fresh bovine milk using near infrared spectroscopy” LINK

“Agronomy : Impact of Short-Term Atmospheric Heat Transfer on the Survival of Granary Weevil in Stored Winter Wheat” LINK

“Role of Hyperspectral imaging for Precision Agriculture Monitoring” LINK

“Potential of GPR data fusion with hyperspectral data for precision agriculture of the future” LINK

Horticulture NIR-Spectroscopy Applications

“Determination of quality attributes and ripening stage using vis-nir spectroscopy in intact seriguela and umbu fruits” LINK

Medicinal Spectroscopy

“Effects of Hemodynamic Differences on the Assessment of Inter-Brain Synchrony Between Adults and Infants” | LINK


“Early Hemodynamic Effects of Mydriatic Eye-Drops in Preterm Infants” LINK

“Size-dependent theoretical and experimental photothermal conversion efficiency of spherical gold nanoparticles” LINK

“Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs” | LINK

“W5+W5+ Pair Induced LSPR of W18O49 to Sensitize ZnIn2S4 for FullSpectrum SolarLightDriven Photocatalytic Hydrogen Evolution” LINK

“Hypoxic gas therapy in neonatology, considerations in practice” LINK

“Optical properties of zinc boro-tellurite glasses doped europium ion” LINK

“Comparative analysis of nitrogen removals and microbial communities in air and pure oxygen aeration systems during treatment of municipal solid waste incineration …” LINK


Spectroscopy and Chemometrics News Weekly #22, 2020

NIR Calibration-Model Services

New Free NIR-Predictor V2.6 software is released – Reads and predicts *.spc spectra file format (Thermo-Scientific / Galactic GRAMS) – Spectra Plots on the Prediction Reports NIRS NIR Spectroscopy Spectrometer QualityControl Lab Laboratory Analysis LINK
Spectra Plot

Spectroscopy and Chemometrics News Weekly 21, 2020 | 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 21, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 21, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

“NIR spectroscopy application for determination caffeine content of Arabica green bean coffee” LINK

“Review of NIR spectroscopy methods for nondestructive quality analysis of oilseeds and edible oils” LINK

“Omega-3 and Omega-6 Determination in Nile Tilapia’s Fillet Based on MicroNIR Spectroscopy and Multivariate Calibration” LINK

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

“Prediction of water content in Lintong green bean coffee using FT-NIRS and PLS method” LINK

Discrimination of legal and illegal Cannabis spp. according to European legislation using near infrared spectroscopy and chemometrics. LINK

“A system using in situ NIRS sensors for the detection of product failing to meet quality standards and the prediction of optimal postharvest shelf-life in the case of oranges kept in cold storage” LINK

“Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy” LINK

“Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species” LINK

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

“Rapid and Non-destructive Detecting Frying Times of Peanut Oil Based on Near Infrared Reflectance Spectroscopy” LINK

“Different Supervised and unsupervised classification approaches based on Visible/Near infrared spectral analysis for discrimination of microbial contaminated lettuce …” LINK

“Nondestructive determination of lignin content in Korla fragrant pear based on near-infrared spectroscopy” LINK

“Monitoring the Progress and Healing Status of Burn Wounds Using Infrared Spectroscopy” LINK

“Detection of melamine and sucrose as adulterants in milk powder using near-infrared spectroscopy with DD-SIMCA as one-class classifier and MCR-ALS … forensic evidence” LINK

“Differentiating Between Malignant Mesothelioma and Other Pleural Lesions Using Fourier Transform Infrared Spectroscopy” LINK

“Confirmation of brand identification in infant formulas by near-infrared spectroscopy fingerprints” LINK

“Near-infrared spectroscopy of the placenta for monitoring fetal oxygenation during labour.” LINK

“Impact of H2O on atmospheric CH4 measurement in near-infrared absorption spectroscopy.” LINK

“Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds” LINK

“Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum).” phenotyping LINK

“Multiple-depth Modeling of Soil Organic Carbon using Visible–Near Infrared Spectroscopy” LINK

“Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning” LINK

“Simultaneous determination of antioxidant properties and total phenolic content of Siraitia grosvenorii by near infrared spectroscopy” LINK

“Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy” LINK

“Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression” LINK

“Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy” LINK


“Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)” LINK

Raman Spectroscopy

“Raman Technology for Today’s Spectroscopists” LINK

“Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition” LINK

Hyperspectral Imaging (HSI)

“Classification of Hyperspectral Endocrine Tissue Images Using Support Vector Machines.” LINK

“Using dual-channel CNN to classify hyperspectral image based on spatial-spectral information” LINK

“Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging.” LINK

“Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves” LINK

“Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging” LINK

Chemometrics and Machine Learning

“Rapid detection of saffron (Crocus sativus L.) Adulterated with lotus stamens and corn stigmas by near-infrared spectroscopy and chemometrics” LINK

“Simultaneous quantification of active constituents and antioxidant capability of green tea using NIR spectroscopy coupled with swarm intelligence algorithm” LINK

“Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands” LINK

“Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils” LINK

“Identification of Tea Diseases Based on Spectral Reflectance and Machine Learning” LINK

“Machine learning estimators for the quantity and quality of grass swards used for silage production using drone-based imaging spectrometry and …” LINK

Research on Spectroscopy

“Lanthanide complexes with N-(2, 6-dimethylphenyl) oxamate: Synthesis, characterisation and cytotoxicity” LINK

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK

Equipment for Spectroscopy

“Evaluation of Depth Measurement Method Based on Spectral Characteristics Using Hyperspectrometer” LINK

“Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts” LINK

Process Control and NIR Sensors

“Process analytical technology tools for process control of roller compaction in solid pharmaceuticals manufacturing.” LINK

Agriculture NIR-Spectroscopy Usage

“The effect of bubble formation within carbonated drinks on the brewage foamability, bubble dynamics and sensory perception by consumers” LINK

“Rapid Measurement of Soybean Seed Viability Using Kernel-Based Multispectral Image Analysis” LINK

“Remote Sensing, Vol. 12, Pages 1256: Crop Separability from Individual and Combined Airborne Imaging Spectroscopy and UAV Multispectral Data” LINK

“Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms” LINK

“Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China” LINK

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK

Horticulture NIR-Spectroscopy Applications

” Nondestructive determining the soluble solids content of citrus using near infrared transmittance technology combined with the variable selection algorithm” LINK

Food & Feed Industry NIR Usage

“Statistical Analysis of Protein Content in Wheat Germplasm Based on Near-infrared Reflectance Spectroscopy” LINK

“Prediction of infertile chicken eggs before hatching by the Naïve-Bayes method combined with visible near infrared transmission spectroscopy” LINK


“Microsoft lays off journalists to replace them with AI” LINK

NIR Calibration Service explained

Our Service is different

  • We build the optimal quantitative prediction models for your NIR analytical needs (No need for mathematical/statistical model building software usage at your site).
  • The NIR-Predictor software and the calibration models are at your site. No internet connection needed to our service. You can do unlimited predictions, that allows fast measurement cycles with no extra cost (Not payed per prediction).
  • You own your NIR + Lab data and the calibrations. You can have access to the detailed Calibration Report with all the settings and statistics (No Black-Box Models).

Get NIR Calibrations

Get NIR Calibrations - Workflow
Your 4 steps to the applicable NIR calibration:
  1. Download free NIR-Predictor here
  2. Combine your NIR-Spectra with Lab-Reference values, see Video for 2. and 3. (manual)
  3. Create a Calibration Request and sent it to info@CalibrationModel.com (CM)
  4. After processing you will get a link to the Web Shop to download the calibrations.

Use NIR Calibrations

Use NIR Calibrations Workflow
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In other words

Calibration Model simplifies the process of training machine learning models for NIRS data while providing an opportunity to trying different algorithms and applied near-infrared spectroscopy (NIRS) knowledge. It’s more than an AutoML platform, it’s a full service where you can download the optimal model and its describing Calibration Report that provide insights into the data preparation, feature engineering, model training, and hyperparameter tuning.

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