Spectroscopy and Chemometrics Machine-Learning News Weekly #38, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 37, 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)

“Geographical Discrimination of Ground Amazon Cocoa by Near-Infrared Spectroscopy: Influence of Sample Preparation” LINK

“Rapid assessment of enniatins in barley grains using near infrared spectroscopy and chemometric tools” LINK

“Sensors : Detection of Water pH Using Visible Near-Infrared Spectroscopy and One-Dimensional Convolutional Neural Network” LINK

“fNIRS-based brain state transition features to signify functional degeneration after Parkinson’s disease” LINK

“Near-infrared spectroscopy of boulders with dust or patina coatings on the Moon: A two-layer radiative transfer model” LINK

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

“Discrimination of Gonipterini weevil genera using near infrared spectroscopy” LINK

“Mid-Infrared Serial Microring Resonator Array for Real-Time Detection of Vapor-Phase Volatile Organic Compounds” LINK

Raman Spectroscopy

“Labelfree SERS detection of prostate cancer combined with multivariate statistical algorithm” LINK

Hyperspectral Imaging (HSI)

“Determination of protein content in single black fly soldier (Hermetia illucens L.) larvae by near infrared hyperspectral imaging (NIR-HSI) and chemometrics” LINK

“Hyperspectral detection of walnut protein contents based on improved whale optimized algorithm” LINK

“Quantitative Inversion Model Design of Mine Water Characteristic Ions Based on Hyperspectral Technology” LINK

“Bloodstain Identification Based on Visible/Near-Infrared Hyperspectral Imaging with Convolutional Neural Network” LINK

“Uncertainty measurement-guided iterative sample selection via shallow convolutional neural network for hyperspectral image classification” LINK

“Two-dimensional granule property measurement using hyperspectral imaging in continuous pharmaceutical wet granulation” LINK

“Feasibility of identifying the authenticity of fresh and cooked mutton kebabs using visible and near-infrared hyperspectral imaging” LINK

“Nondestructive Quality Control in Powder Metallurgy using Hyperspectral Imaging” LINK

“Quality classification of kiwifruit under different storage conditions based on deep learning and hyperspectral imaging technology” LINK

Spectral Imaging

“Experimental Analysis of Tunable Optical Spectral Imaging System Using a Grating in the Pupil Function” LINK

Chemometrics and Machine Learning

“Monitoring the concentrations of Cd, Cu, Pb, Ni, Cr, Zn, Mn and Fe in cultivated Haplic Luvisol soils using near-infrared reflectance spectroscopy and chemometrics” LINK

“Application of Hyperspectral Technology Combined with Bat Algorithm-AdaBoost Model in Field Soil Nutrient Prediction” LINK

“Brazilian Canephora Coffee Evaluation Using Nir Spectroscopy and Discriminant Chemometric Techniques” LINK

“Rapid quantitative typing spectra model for distinguishing sweet and bitter apricot kernels” LINK

“Remote Sensing : Application of PLS-Augmented ANN Model for Retrieving Chlorophyll-a from Hyperspectral Data in Case 2 Waters of the Western Basin of Lake Erie” LINK

“Merging GIS and Machine Learning Techniques: A Paper Review” MachineLearning LINK

“CRISP-DM – Cross-Industry Standard Process for DataMining. It describes how DataAnalysts should start from business needs, mine the data, and deploy the model.” | Data DataScience DataAnalysis DataAnalyst DataScientist LINK

“Survey of Machine Learning Lifecycle – Evolution of ML lifecycle from resource-constrained batch data mining to MLOps at the cloud scale.” by LINK

“Interpretable and Explainable Machine Learning for Materials Science and Chemistry” MachineLearning MaterialScience Chemistry LINK

“Identification of Four Chicken Breeds by Hyperspectral Imaging Combined with Chemometrics” LINK

“Hyperspectral imaging and chemometrics assessment of intramuscular fat in pork Longissimus thoracic et lumborum primal cut” LINK

“Soil organic carbon (SOC) prediction in Australian sugarcane fields using Vis-NIR spectroscopy with different model setting approaches” LINK

Process Control and NIR Sensors

“Process Spectroscopy Market to be Worth $33.14 Billion by 2030: Grand View Research, Inc.” LINK

Agriculture NIR-Spectroscopy Usage

“Quantitative inversion model of protein and fat content in milk based on hyperspectral techniques” LINK

“Influx of Near-Infrared Technology in Microplastic Community: A Bibliometric Analysis” LINK

“Remote Sensing : Mapping Seasonal Leaf Nutrients of Mangrove with Sentinel-2 Images and XGBoost Method” LINK

Food & Feed Industry NIR Usage

“Hyperspectral imaging combined with chemometrics for rapid detection of talcum powder adulterated in wheat flour” wheatflour LINK

Pharma Industry NIR Usage

“Rapid identification of polypeptide from carbapenemresistant and susceptible Escherichia coli via OrbitrapMS and pattern recognition analyses” LINK


“Facile fabrication of binary BiOCl-Cu2CoSnS4 and ternary BiOCl-Cu2CoSnS4-TiO2 heterojunction nano photocatalyst for efficient sunlight-driven removal of direct …” LINK

“Click chemically modified azobenzene derivatives and their third-order nonlinear optical properties” | LINK

“20 Antiaromatic Isophlorins without Metallation or Core Modification” LINK

“Three ytterbium (III) complexes with aromatic N‐donors: Synthesis, structure, photophysical properties and thermal stability” LINK

“Untargeted Region of Interest Selection for GC-MS Data using a Pseudo F-Ratio Moving Window” LINK

“Biosensors : Variational Mode Decomposition Weighted Multiscale Support Vector Regression for Spectral Determination of Rapeseed Oil and Rhizoma Alpiniae Offcinarum Adulterants” LINK

Spectroscopy and Chemometrics Machine-Learning News Weekly #30, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 29, 2022 | 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 29, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

“Probing 1D convolutional neural network adapted to near-infrared spectroscopy for efficient classification of mixed fish” LINK

“Visible and Near-infrared Spectroscopy for Quality Analysis of Wine” LINK

“Impact of Freeze-Drying on the Determination of the Geographical Origin of Almonds (Prunus dulcis Mill.) by Near-Infrared (NIR) Spectroscopy” | LINK

“Research progress and the application of near-infrared spectroscopy in protein structure and molecular interaction analysis” LINK

“Faecal near-infrared reflectance spectroscopy profiling for the prediction of dietary nutritional characteristics for equines” LINK


“Determination of aroma compounds in grape mash under conditions of tasting by on-line near-infrared spectroscopy” | LINK

“Monitoring of soybean germination process by near-infrared spectroscopy” LINK

“Shedding light on human tissue (in vivo) to predict satiation, satiety, and food intake using near infrared reflectance spectroscopy: A preliminary study” LINK

“Establishment of a Nondestructive Analysis Method for Lignan Content in Sesame using Near Infrared Reflectance Spectroscopy” LINK

“Applications of near infrared spectroscopy and hyperspectral imaging techniques in anaerobic digestion of bio-wastes: A review” LINK

“Determination of Acid Level (pH) and Moisture Content of Cocoa Beans at Various Fermentation Level Using Visible Near-Infrared (Vis-NIR) Spectroscopy” LINK

“Assessment of skin inflammation using near-infrared Raman spectroscopy combined with artificial intelligence analysis in an animal model” LINK

“Miniaturized NIR Spectroscopy in Food Analysis and Quality Control: Promises, Challenges, and Perspectives” LINK

“Polyamide (PA) 66 molding defect studied with optical coherence tomography (OCT) and near-infrared (NIR) spectroscopy” LINK

“Portable FT-NIR spectroscopic sensor for detection of chemical precursors of explosives using advanced prediction algorithms” LINK

“Rapid Determination of Cellulose and Hemicellulose Contents in Corn Stover Using Near-Infrared Spectroscopy Combined with Wavelength Selection” LINK

“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

“Fourier transform near infrared spectroscopy as a tool to predict spawning status in Alaskan fishes with variable reproductive strategies” LINK

“Assessment of Brain Function in Patients With Cognitive Impairment Based on fNIRS and Gait Analysis” | LINK

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

“Near-infrared spectroscopy combined with chemometrics to classify cosmetic foundations from a crime scene” LINK

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

“On the Correlation between Near Infrared Spectrum from the Sky and Weather Parameters” LINK

“HighPerformance Broadband VisibleNear Infrared Photodetector Enabled by Atomic Capping Layer” LINK

Raman Spectroscopy

“Raman Spectroscopy Applications in Grapevine: Metabolic Analysis of Plants Infected by Two Different Viruses” | LINK

Hyperspectral Imaging (HSI)

“Foods : Identification of Maize with Different Moldy Levels Based on Catalase Activity and Data Fusion of Hyperspectral Images” LINK

“Differentiation of Livestock Internal Organs Using Visible and Short-Wave Infrared Hyperspectral Imaging Sensors” | LINK

Chemometrics and Machine Learning

“Remote Sensing : A Geographically Weighted Random Forest Approach to Predict Corn Yield in the US Corn Belt” LINK

“Applications of machine learning in pine nuts classification” | LINK

“Generalized Unsupervised Clustering of Hyperspectral Images of Geological Targets in the Near Infrared” LINK

“Two-wavelength image detection of early decayed oranges by coupling spectral classification with image processing” LINK

“In‑line near‑infrared analysis of milk coupled with machine learning methods for the daily prediction of blood metabolic profile in dairy cattle” LINK

“Chemometric approach to evaluate the chemical behavior of rainwater at high altitude in Shaune Garang catchment, Western Himalaya” LINK

“Applied microwave power estimation of black carrot powders using spectroscopy combined with chemometrics” | LINK

“Nondestructive detection of tomato quality based on multiregion combination model” LINK


“Remote Sensing : Long-Term Landsat-Based Monthly Burned Area Dataset for the Brazilian Biomes Using Deep Learning” LINK

Research on Spectroscopy

“Diffuse optical spectroscopic method for tissue and body composition assessment” | LINK

“A Method of Soil Moisture Content Estimation at Various Soil Organic Matter Conditions Based on Soil Reflectance” LINK

Equipment for Spectroscopy

“NIRII JAggregated Pt(II)PorphyrinBased Phosphorescent Probe for TumorHypoxia Imaging” LINK

Future topics in Spectroscopy

“Near infrared techniques applied to analysis of wheat-based products: Recent advances and future trends” LINK

Environment NIR-Spectroscopy Application

“Response of bacterial communities and nitrogen-cycling genes in newly reclaimed mudflat paddy soils to nitrogen fertilizer gradients” | LINK

“Remote Sensing : Assessment of the Usefulness of Spectral Bands for the Next Generation of Sentinel-2 Satellites by Reconstruction of Missing Bands” LINK

Agriculture NIR-Spectroscopy Usage

“Agriculture : Probing Differential Metabolome Responses among Wheat Genotypes to Heat Stress Using Fourier Transform Infrared-Based Chemical Fingerprinting” LINK

“Agriculture : Detection of Rice Spikelet Flowering for Hybrid Rice Seed Production Using Hyperspectral Technique and Machine Learning” LINK

“Remote Sensing : Integrating the Textural and Spectral Information of UAV Hyperspectral Images for the Improved Estimation of Rice Aboveground Biomass” LINK

“Synthesis and physicochemical characterization of silver nanoparticles from the dye-yielding plants, Terminalia paniculata and Mallotus philippensis” | LINK

“Fabrication of Bragg Mirrors by Multilayer Inkjet Printing” LINK

“Impacts of graphitic nanofertilizers on nitrogen cycling in a sandy, agricultural soil” | LINK

“Soil microbial nitrogen-cycling gene abundances in response to crop diversification: A meta-analysis” LINK

“Towards a fast and generalized microplastic quantification method in soil using terahertz spectroscopy” LINK

“AptamerConjugated Biocompatible Nanospheres for Fluorescent ImagingGuided Hepatocellular CarcinomaTargeted Phototherapeutic Modality” LINK

“NI-Raman spectroscopy combined with BP-Adaboost neural network for adulteration detection of soybean oil in camellia oil” | LINK

“Exploring the potential of UAV hyperspectral image for estimating soil salinity: Effects of optimal band combination algorithm and random forest” LINK

“Optical Spectroscopy and Imaging in Surgical Management of Cancer Patients” LINK

“Broadband spectral photodetector based on all-amorphous ZnO/Si heterostructure incorporating Ag intermediate thin-films” LINK

Horticulture NIR-Spectroscopy Applications

“The Effect of Harvest Maturity on’Geneva 3’Kiwiberry Storability, Ripening Dynamics, and Fruit Quality” LINK

“Sensors : A Novel Hyperspectral Method to Detect Moldy Core in Apple Fruits” LINK

“Hyperspectral Detection of Sugar Content for Sugar-sweetened Apples Based on Sample Grouping and SPA Feature Selecting Methods” LINK

Food & Feed Industry NIR Usage

“Foods : Metabolomic Characterization of Pigmented and Non-Pigmented Potato Cultivars Using a Joint and Individual Variation Explained (JIVE)” LINK

“Foods : Comparison of Four Oil Extraction Methods for Sinami Fruit (Oenocarpus mapora H. Karst): Evaluating Quality, Polyphenol Content and Antioxidant Activity” LINK


“Structural and spectroscopic characterization of cadmium sodium phosphate glasses doped with ytterbium for optical applications” LINK


“Formation of organic color centers in air-suspended carbon nanotubes using vapor-phase reaction” | LINK

Spectroscopy and Chemometrics/Machine-Learning News Weekly #16, 2022

NIR Calibration-Model Services

Custom NIR Calibration Models development for a large list of NIR spectrometers NIRS spectroscopy spectrometer chemometrics MachineLearning DigitalTransformation miniaturization mobileDevices MobileSpectrometers NIRanalysis Laboratoires LINK

Do you use a near-infrared Spectrometer with Chemometric Methods? This will save you time | NIR NIRS SWIR MIR NIT LINK

Spectroscopy and Chemometrics News Weekly 15, 2022 | 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 15, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 15, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

“Development of a calibration model for near infrared spectroscopy using a convolutional neural network” LINK

“PhotoReduction with NIR Light of Nucleus Targeting Pt(IV) Nanoparticles for Combined TumorTargeted Chemotherapy and Photodynamic Immunotherapy” LINK

New spectra dataset released: | Vis-NIR reflectance spectra of basalts (raw pieces and powders) | ROMA database LINK

“Novel fNIRS study on homogeneous symmetric feature-based transfer learning for brain-computer interface” | LINK

“Hybrid motion artifact detection and correction approach for functional near-infrared spectroscopy measurements” LINK

“Broadband Near-Field Near-Infrared Spectroscopy and Imaging with a Laser-Driven Light Source” LINK

“… of Malperfused Areas in an Irradiated Random Pattern Skin Flap Model Using Indocyanine Green Angiography and Near-Infrared Reflectance-Based Imaging and …” LINK

“Variation of properties of two contrasting Oxisols enhanced by pXRF and Vis-NIR” | LINK

“Carbon Footprint Reduction by Utilizing Real Time NIR Spectroscopy for RVP Measurement in Natural Gas Condensate Stabilizers” LINK

“Near Infrared Spectroscopy Detects Change of Tissue Hemoglobin and Water Levelsin Kawasaki Disease and Coronary Artery Lesions” LINK

“Cortical Activation of Swallowing Using fNIRS: A Proof of Concept Study with Healthy Adults” | LINK

“Sensors : A Compact Fiber-Coupled NIR/MIR Laser Absorption Instrument for the Simultaneous Measurement of Gas-Phase Temperature and CO, CO2, and H2O Concentration” LINK

“Predicting Soil Organic Carbon Mineralization Rates Using δ13C, Assessed by Near-Infrared Spectroscopy, in Depth Profiles Under Permanent Grassland Along a …” | LINK

“FGANet: fNIRS-guided Attention Network for Hybrid EEG-fNIRS Brain-Computer Interfaces” LINK

“Gasoline octane number prediction from near-infrared spectroscopy with an ANN-based model” LINK

“Non-destructive Measurements of Toona sinensis Chlorophyll and Nitrogen Content Under Drought Stress Using Near Infrared Spectroscopy” | LINK

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

“Electrochromism of Nanographenes in the NearInfrared Region” LINK

“Energies : Fast Quantitative Modelling Method for Infrared Spectrum Gas Logging Based on Adaptive Step Sliding Partial Least Squares” LINK

“Discrimination of Commercial Ibuprofen Tablets by using a Button Sample Holder and Mid-Infrared Spectroscopy” LINK

“Sensors : Extending Effective Dynamic Range of Hyperspectral Line Cameras for Short Wave Infrared Imaging” LINK

“Induced NearInfrared Emission and Controlled Photooxidation Based on Sulfonated Crown Ether in Water” LINK

Hyperspectral Imaging (HSI)

“Transcriptome and hyperspectral profiling allows assessment of phosphorus nutrient status in rice under field conditions” LINK

“Unsupervised Spatial-Spectral CNN-Based Feature Learning for Hyperspectral Image Classification” LINK

“Determination of viability and vigor of naturally-aged rice seeds using hyperspectral imaging with machine learning” LINK

“Diagnostical Accuracy of Hyperspectral Imaging After Free Flap Surgery” LINK

Spectral Imaging

“Remote Sensing : Genetic Programming Approach for the Detection of Mistletoe Based on UAV Multispectral Imagery in the Conservation Area of Mexico City” LINK

Chemometrics and Machine Learning

“Foods : Discriminant Analysis of Pu-Erh Tea of Different Raw Materials Based on Phytochemicals Using Chemometrics” LINK

“Algorithm of Stability-Analysis-Based Feature Selection for NIR Calibration Transfer” LINK

“Chemosensors : Nonlinear Multivariate Regression Algorithms for Improving Precision of Multisensor Potentiometry in Analysis of Spent Nuclear Fuel Reprocessing Solutions” LINK

“Blood Glucose Prediction Using Machine Learning on Jetson Nanoplatform” LINK

“Machine Learning-Powered Models for Near-Infrared Spectrometers: Prediction of Protein in Multiple Grain Cereals” LINK

“Cognitive spectroscopy for the classification of rice varieties: a comparison of machine learning and deep learning approaches in analysing long-wave near-infrared …” LINK

“Foods : Fatty Acid Profiling in Kernels Coupled with Chemometric Analyses as a Feasible Strategy for the Discrimination of Different Walnuts” LINK

“Remote Sensing : A Machine Learning Framework for the Classification of Natura 2000 Habitat Types at Large Spatial Scales Using MODIS Surface Reflectance Data” LINK

“Non-destructive detection of chilling injury in kiwifruit using a dual-laser scanning system with a principal component analysis – back propagation neural network” LINK

Research on Spectroscopy

“Applied Sciences : Pre-Disinfection of Poly-Methyl-Methacrylate (PMMA) Reduces Volatile Sulfides Compounds (VSC) Production in Experimental Biofilm In Vitro” LINK

“Remote Sensing : Study of Atmospheric Carbon Dioxide Retrieval Method Based on Normalized Sensitivity” LINK

Equipment for Spectroscopy

“Mid-IR spectroscopy with NIR grating spectrometers” LINK

Environment NIR-Spectroscopy Application

“Antibacterial Copolypeptoids with Potent Activity against Drug Resistant Bacteria and Biofilms, Excellent Stability, and Recycling Property” LINK

“Determining Water Transport Kinetics in Limestone by Dual-Wavelength Cavity Ring-Down Spectroscopy” LINK

“Verifying the predictive performance for soil organic carbon when employing field Vis-NIR spectroscopy and satellite imagery obtained using two different sampling …” LINK

Agriculture NIR-Spectroscopy Usage

“Agriculture : A 1D-SP-Net to Determine Early Drought Stress Status of Tomato (Solanum lycopersicum) with Imbalanced Vis/NIR Spectroscopy Data” LINK

“Remote Sensing : Spectral-Based Classification of Plant Species Groups and Functional Plant Parts in Managed Permanent Grassland” LINK

“Assessment of macronutrients and alpha-galactosides of texturized vegetable proteins by near infrared hyperspectral imaging” LINK

“A fuzzy multi-criteria decision-making approach for the assessment of forest health applying hyper spectral imageries: A case study from Ramsar forest, North of Iran” LINK

“Feasibility of near-infrared spectroscopic rapid detection method for the water content of vermiculite substrates in desert facility agriculture” | LINK

“Evaluation of Methods for Measuring Fusarium-Damaged Kernels of Wheat” LINK

“Effects of free-air temperature increase on grain yield and greenhouse gas emissions in a double rice cropping system” LINK

“The use of milk Fourier-transform mid-infrared spectroscopy to diagnose pregnancy and determine spectral regional associations with pregnancy in US dairy cows” LINK

“Nutrients : Analysis of the Correlation between Meal Frequency and Obesity among Chinese Adults Aged 18-59 Years in 2015” LINK

“Agriculture : N2O Emission and Nitrification/Denitrification Bacterial Communities in Upland Black Soil under Combined Effects of Early and Immediate Moisture” LINK

“Bovine fecal chemistry changes with progression of Southern Cattle Tick, Rhipicephalus (Boophilus) microplus (Acari: Ixodidae) infestation” LINK

Food & Feed Industry NIR Usage

“Effects of Irrigation Strategy and Plastic Film Mulching on Soil N 2 O Emissions and Fruit Yields of Greenhouse Tomato” LINK

Chemical Industry NIR Usage

“Polymers : π-Conjugated Polymers and Their Application in Organic and Hybrid Organic-Silicon Solar Cells” LINK

Pharma Industry NIR Usage

“Applied Sciences : Design of Two-Mode Spectroscopic Sensor for Biomedical Applications: Analysis and Measurement of Relative Intensity Noise through Control Mechanism” LINK


“How This A.I. Draws Anything You Describe [Dall-E 2]” LINK

“Asphaltene Precipitation Onsets in Relation to the Critical Dilution of Athabasca Bitumen in Paraffinic Solvents” LINK

“Design Meets Neuroscience: A Preliminary Review of Design Research Using Neuroscience Tools” LINK

“[ZITATION][C] Author Session” LINK

“Dissimilatory nitrate reduction in urban lake ecosystems: a comparison study between closed and open lakes in Chengdu, China” LINK

“[Exclusive] Elon Musk: A future worth getting excited about” LINK

Spectroscopy and Chemometrics/Machine-Learning News Weekly #12, 2022

NIR Calibration-Model Services

“Combining NIR spectroscopy with automation in chemometric prediction model development-towards a low cost food analysis system.” price cost NIR NIRS spectroscopy chemometrics software tools DataScientist LINK

Increase Your Profit with optimized NIRS Spectroscopy Accuracy Beverage Processing Dairy milk meat nutrition LINK

Spectroscopy and Chemometrics News Weekly 11, 2022 | 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 11, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 11, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

“Synaptosomal-Associated Protein 25 Gene Polymorphisms Affect Treatment Efficiency of Methylphenidate in Children With Attention-Deficit Hyperactivity Disorder: An fNIRS Study” | LINK

“Applied Sciences : Numerical Study of Near-Infrared Light Propagation in Aqueous Alumina Suspensions Using the Steady-State Radiative Transfer Equation and Dependent Scattering Theory” LINK

“Reducing false discoveries in resting-state functional connectivity using short channel correction: an fNIRS study” | LINK

“Diffuse Optical Tomography Using fNIRS Signals Measured from the Skull Surface of the Macaque Monkey” LINK

“Prediction of cellulose nanofibril (CNF) amount of CNF/polypropylene composite using near infrared spectroscopy” LINK

“Near infraredbased process analytical technology module for estimating gelatinization optimal point” LINK

“A Novel NIR-Based Strategy for Rapid Freshness Assessment of Preserved Eggs” | LINK

“Machine Learning-Based Assessment of Cognitive Impairment Using Time-Resolved Near-Infrared Spectroscopy and Basic Blood Test” | LINK

“Rapid Detection Method of Pleurotus Eryngii Mycelium based on Near Infrared Spectral Characteristics” LINK

“Research on moisture content detection method during green tea processing based on machine vision and near-infrared spectroscopy technology” LINK

“Use of Artificial Neural Networks and NIR Spectroscopy for Non-Destructive Grape Texture Prediction” LINK

“NIRS for vicine and convicine content of faba bean seed allowed GWAS to prepare for marker-assisted adjustment of seed quality of German winter faba beans” LINK

“Evidence that large vessels do affect near infrared spectroscopy” | LINK

“Use of LC-Orbitrap MS and FT-NIRS with multivariate analysis to determine geographic origin of Boston butt pork” LINK

“Prediction of the intramuscular fat and protein content of freeze dried ground meat from cattle and sheep using Near‐Infrared Spectroscopy (NIRS)” LINK

“Prediction of quality of total mixed ration for dairy cows by near infrared reflectance spectroscopy and empirical equations” LINK

“Analysis and Model Comparison of Carbon and Nitrogen Concentrations in Sediments of the Yellow Sea and Bohai Sea by Visible-Near Infrared Spectroscopy” | LINK

“Non-destructive measurement and real-time monitoring of apple hardness during ultrasonic contact drying via portable NIR spectroscopy and machine learning” LINK

“Polymers : A NIR-Light-Driven Twisted and Coiled Polymer Actuator with a PEDOT-Tos/Nylon-6 Composite for Durable and Remotely Controllable Artificial Muscle” LINK

“Invited review: A comprehensive review of visible and near-infrared spectroscopy for predicting the chemical composition of cheese” LINK

“Chemometrics: An Excavator in Temperature-Dependent Near-Infrared Spectroscopy” LINK

“Are NIRS tools useful to assess digestible energy of pig feedstuffs?” | LINK

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

“Biosensors : Haemoprocessor: A Portable Platform Using Rapid Acoustically Driven Plasma Separation Validated by Infrared Spectroscopy for Point-of-Care Diagnostics” LINK

“Estimating texture and organic carbon of an Oxisol by near infrared spectroscopy” LINK

“PhotomultiplicationType Organic Photodetectors for NearInfrared Sensing with High and BiasIndependent Specific Detectivity” LINK

Hyperspectral Imaging (HSI)

“Detection and discrimination of disease and insect stress of tea plants using hyperspectral imaging combined with wavelet analysis” LINK

“Evaluation of the benefits of combined reflection and transmission hyperspectral imaging data through disease detection and quantification in plant-pathogen …” | LINK

“Multi-layer Cascade Screening Strategy for Semi-supervised Change Detection in Hyperspectral Images” LINK

“Comparison of near-infrared, mid-infrared, Raman spectroscopy and near-infrared hyperspectral imaging to determine chemical, structural and rheological properties …” LINK

“Developing an affordable hyperspectral imaging system for rapid identification of Escherichia coli O157:H7 and Listeria monocytogenes in dairy products” LINK

Chemometrics and Machine Learning

“Simultaneous Monitoring of the Evolution of Chemical Parameters in the Fermentation Process of Pineapple Fruit Wine Using the Liquid Probe for Near-Infrared Coupled with Chemometrics” LINK

“Agronomy : Decision Support System (DSS) for Managing a Beef Herd and Its Grazing Habitat’s Sustainability: Biological/Agricultural Basis of the Technology and Its Validation” LINK

“Prediction of Entire Tablet Formulations From Pure Powder Components Spectra via a Two-Step Non-Linear Optimization Methodology” LINK

Optics for Spectroscopy

“Polymers : Development and Characterization of Plantain (Musa paradisiaca) Flour-Based Biopolymer Films Reinforced with Plantain Fibers” LINK

Research on Spectroscopy

“Understanding water dynamics in different subcellular environments by combining multiplexing imaging and dimethylamino naphthalene fluorescent derivatives”LINK

Environment NIR-Spectroscopy Application

“Performance of hyperspectral data in predicting and mapping zinc concentration in soil” LINK

“Prediction of soil carbon and nitrogen contents using visible and near infrared diffuse reflectance spectroscopy in varying salt-affected soils in Sine Saloum (Senegal)” LINK

“Machine Learning Framework for Intelligent Detection of Wastewater Pollution by IoT-Based Spectral Technology” | LINK

Agriculture NIR-Spectroscopy Usage

“Applied Sciences : Combining Hyperspectral Reflectance and Multivariate Regression Models to Estimate Plant Biomass of Advanced Spring Wheat Lines in Diverse Phenological Stages under Salinity Conditions” LINK

“Applied Sciences : Mineral Content Estimation of Lunar Soil of Lunar Highland and Lunar Mare Based on Diagnostic Spectral Characteristic and Partial Least Squares Method” LINK

“Extraction of rock and alteration geons by FODPSO segmentation and GP regression on the HyMap imagery: a case study of SW Birjand, eastern Iran” LINK

“The Relative Performance of a Benchtop Scanning Monochromator and Handheld Fourier Transform Near-Infrared Reflectance Spectrometer in Predicting Forage …” LINK

“Non-destructive assessment of amylose content in rice using a quality inspection system at grain elevators” LINK

“Remote Sensing : Predicting the Chlorophyll Content of Maize over Phenotyping as a Proxy for Crop Health in Smallholder Farming Systems” LINK

Horticulture NIR-Spectroscopy Applications

“Correction of Temperature Variation with Independent Water Samples to Predict Soluble Solids Content of Kiwifruit Juice Using NIR Spectroscopy” LINK

Forestry and Wood Industry NIR Usage

“Study of Variability of Waste Wood Samples Collected in a Panel Board Industry” | LINK


Chemical Industry NIR Usage

“Enhancement of Photostability through Side Chain Tuning in Dioxythiophene-Based Conjugated Polymers” LINK

Petro Industry NIR Usage

“Towards energy discretization for muon scattering tomography in GEANT4 simulations: A discrete probabilistic approach. (arXiv:2201.08804v1 [physics.comp-ph])” LINK

Pharma Industry NIR Usage

“Revealing the Effect of Heat Treatment on the Spectral Pattern of Unifloral Honeys Using Aquaphotomics” LINK

“Spectroscopic Characteristics of Xeloda Chemodrug” LINK

“Bilateral acute macular neuroretinopathy in a young woman after the first dose of Oxford-AstraZeneca COVID-19 vaccine” LINK

“Spatial particle size distribution at intact sample surfaces of a Dystric Cambisol under forest use” LINK


“Chemosensors : Development of Cyanine 813-Based Doped Supported Devices for Divalent Metal Ions Detection” LINK

“Spectral actinometry at SMEAR-Estonia. (arXiv:2202.06132v1 [physics.ao-ph])” LINK

“Experimental and theoretical investigation on the nonlinear optical properties of LDS 821 dye in different solvents and DNA” LINK

“Domain invariant covariate selection (Di-CovSel) for selecting generalized features across domains” LINK

“Structural, optical analysis, and Poole-Frenkel emission in NiO/CMC-PVP: Bio-nanocomposites for optoelectronic applications” LINK


Spectroscopy and Chemometrics/Machine-Learning News Weekly #1, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 52, 2021 | 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)

“Wide band UV/Vis/NIR blazed-binary reflective gratings: two lithographic techniques investigation” LINK

“Scanning interferometric near-infrared spectroscopy for imaging of adult human forehead blood flow dynamics” LINK

“Near-infrared spectroscopy in process control and quality management of fruits and wine” LINK

“Potential of Vis-NIR to measure heavy metals in different varieties of organic-fertilizers using Boruta and deep belief network” LINK

“Quantification of Carbon Dioxide (CO2), Methane (CH4), and Nitrous Oxide (N2O) Using Near Infrared Spectroscopy and Multivariate Calibration in High …” LINK

“Development of NIRS re-calibration model for ethiopian barley (Hordeum vulgare) lines traits to determine their brewing potential” LINK

“Near-infrared spectroscopy of blood plasma with chemometrics towards HIV discrimination during pregnancy” LINK

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

“Nondestructive evaluation of the biogenic amine in crayfish (Prokaryophyllus clarkii) by nearinfrared spectroscopy” LINK

Raman Spectroscopy

“Quantitative age grading of mosquitoes using surfaceenhanced Raman spectroscopy” LINK

Hyperspectral Imaging (HSI)

“Moisture transport dynamics in wood during drying studied by long-wave near-infrared hyperspectral imaging” | LINK

“In-line monitoring of the residual moisture in impregnated black textile fabrics by hyperspectral imaging” LINK

“Hyperspectral imaging approach for the identification of construction and demolition waste from earthquake sites” LINK

Chemometrics and Machine Learning

“Class-modelling of overlapping classes. A two-step authentication approach” LINK

“Machine learning and chemometrics for electrochemical sensors: moving forward to the future of analytical chemistry” LINK

Research on Spectroscopy

“Synthesis of the Zn1. 9Cu0. 1SiO4 pigment via the sol-gel and coprecipitation methods” | LINK

“Portable vibrational spectroscopic methods can discriminate between grass-fed and grain-fed beef” LINK

“Polydimethylsiloxane tissue-mimicking phantoms with tunable optical properties” LINK

“Biocompatible POSS-gold nanocomposites synthesized by laser ablation in ethanol” LINK

Equipment for Spectroscopy

“Ultra-broadband, high-resolution microdroplet spectrometers for the Near Infrared” LINK

“Non-destructive determination of color, titratable acidity, and dry matter in intact tomatoes using a portable Vis-NIR spectrometer” LINK

“Diffuse Reflectance Illumination Module Improvements in Near-Infrared Spectrometer for Heterogeneous Sample Analysis” LINK

Agriculture NIR-Spectroscopy Usage

“Detection of soybean oil adulteration in cow ghee (clarified milk fat): An ultrafast study using flash gas chromatography electronic nose coupled with multivariate chemometrics” LINK

“Non-lipid-rich low attenuation plaque with intraplaque haemorrhage assessed by multimodality imaging: a case report” LINK

Horticulture NIR-Spectroscopy Applications

“Hyperspectral imaging and machine learning for the prediction of SSC in kiwi fruits” LINK

Food & Feed Industry NIR Usage

“Animals : Measurements of Chemical Compositions in Corn Stover and Wheat Straw by Near-Infrared Reflectance Spectroscopy” LINK

“Contrasting effects of biochar-and organic fertilizer-amendment on community compositions of nitrifiers and denitrifiers in a wheat-maize rotation system” LINK


“Single Crystals Heterogeneity Impacts the Intrinsic and Extrinsic Properties of MetalOrganic Frameworks” LINK

“基于高光谱数据研究应用近红外相机加装滤光片实现玉米叶片水分测量的关键参数” LINK

“Geochemical analysis and spectral characteristics of oil shale deposits in Wadi Abu Ziad, Western Irbid, Jordan” | LINK

” 可见光-近红外, 中红外光谱的土壤有机质组分反演” LINK

“Measurement of Somatic Cell Count in the 700-1,100 nm Short Wavelength Region: Comparison of At-Line and On-Line Measurement Modes” |(91)78179-4 LINK

Spectroscopy and Chemometrics News Weekly #11, 2021

NIR Calibration-Model Services

Custom NIR Equations for better accuracy and precision for QA QC Testing Analysis Lab PAT NIRS NIR ag food LINK

Improve Accuracy of fast Nondestructive NIR Measurements by Optimal Calibration | foodquality agtech Lab biotech LINK

Spectroscopy and Chemometrics News Weekly 10, 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 10, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 10, 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)

“Fast and contactless assessment of intact mango fruit quality attributes using near infrared spectroscopy (NIRS)” LINK


” Mango internal defect detection based on optimal wavelength selection method using NIR spectroscopy” LINK

“Application of Fourier Transform Near-Infrared (FT-NIR) spectroscopy for detection of adulteration in palm sugar” LINK

“Quick assessment of chicken spoilage based on hyperspectral NIR spectra combined with partial least squares regression” LINK

“PENDUGAAN KANDUNGAN GIZI AMPAS TEBU (Bagasse) MENGGUNAKAN NIRS (Near Infrared Reflectance Spectroscopy)” LINK

“… condition of leaves during black tea processing via the fusion of electronic eye (E-eye), colorimetric sensing array (CSA), and micro-near-infrared spectroscopy (NIRS)” LINK

” NIR spectroscopy of natural medicines supported by novel instrumentation and methods for data analysis and interpretation” LINK

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

“A method using near infrared hyperspectral imaging to highlight the internal quality of apple fruit slices” LINK

“Use of near-infrared spectroscopy on predicting wastewater constituents to facilitate the operation of a membrane bioreactor” LINK

“Textile Recognition and Sorting for Recycling at an Automated Line Using Near Infrared Spectroscopy” LINK

“Identification of tomatoes with early decay using visible and near infrared hyperspectral imaging and imagespectrum merging technique” LINK

“Mineral equilibrium in commercial curd and predictive ability of near-infrared spectroscopy” LINK

“Organic fertilizer from agricultural waste: determination of phosphorus content using near infrared reflectance” LINK

“Robust fraudulence detection of patchouli oil plant using near infrared spectroscopy” LINK

“Rapid quantification of epigoitrin in the extraction process of Radix Isatidis using near infrared spectroscopy” LINK

Hyperspectral Imaging (HSI)

“Nondestructive detection for egg freshness based on hyperspectral imaging technology combined with harris hawks optimization support vector regression” LINK

Chemometrics and Machine Learning

“Rapid screening of apple juice quality using ultraviolet, visible, and near infrared spectroscopy and chemometrics: A comparative study” LINK

“Portable Spectroscopy Calibration with Inexpensive and Simple Sampling Reference Alternatives for Dry Matter and Total Carotenoid Contents in Cassava Roots” LINK

“Gravity mass powder flow through conical hoppers–Part I: A mathematical model predicting the radial velocity profiles of free‐flowing granular systems as a function of …” LINK

“Simultaneous sex and species classification of silkworm pupae by” LINK

“Application of near infrared spectroscopy in chemometric modeling of tannin content and stiasny number of Pinus caribaea bark” LINK

“Monitoring UV-accelerated alteration processes of paintings by means of hyperspectral micro-FTIR imaging and chemometrics” LINK

Equipment for Spectroscopy

“Principle and optimum analysis of small near-infrared spectrometers based on digital micromirror device” LINK

We are excited to announce the release of the VIS-NIR version of our ultra compact PEBBLE spectrometer platform. The PEBBLE VIS-NIR is ideal for fluorescence and absorption spectroscopy. Read about our ultra compact PEBBLE VIS-NIR spectrometer here: LINK

Environment NIR-Spectroscopy Application

“Transfer learning strategy for plastic pollution detection in soil: Calibration transfer from high-throughput HSI system to NIR sensor” LINK

“UAS-Based Hyperspectral Environmental Monitoring of Acid Mine Drainage Affected Waters” Minerals LINK

Agriculture NIR-Spectroscopy Usage

” Comparison of UAV RGB imagery and hyperspectral remote-sensing data for monitoring winter-wheat growth” LINK

” Soil nutrient information extraction model based on transfer learning and near infrared spectroscopy” LINK

“Machine Learning-Based Prediction of Selected Parameters of Commercial Biomass Pellets Using Line Scan Near Infrared- Hyperspectral Image” LINK

Horticulture NIR-Spectroscopy Applications

” Nondestructive Assessment of Citrus Fruit Quality and Ripening by Visible–Near Infrared Reflectance Spectroscopy” LINK

Food & Feed Industry NIR Usage

“An Alternative Approach to Evaluate the Quality of Protein-Based Raw Materials for Dry Pet Food” LINK

“Predictive Ability of Four Small‐Scale Quality Tests for Dough Rheological Properties and Baking Quality in Hard Red Spring Wheat” LINK


“Sequential Data Fusion Techniques for the Authentication of the P.G.I. Senise (Crusco) Bell Pepper” LINK


Start Calibrate – NIR Quick Guide

More Details

Quick Start NIR Workflow: step by step

1. Check if your NIR-Device Data Format is directly supported (anyway you can convert to JCAMP) : NIR-Predictor supported Spectral Data File Formats

2. Download the free NIR-Predictor Software that contains demo data so you can play with it to see if it is the way you want analyse your NIR spectra (no registration needed) : NIR-Predictor Download

3. With your “NIR device” measurement software:

  • measure samples with NIR, that gets you spectra files,
  • label them with a proper sample name, so you know which is which,
  • and determine quantitative reference values by Laboratory reference method.
  • at least 60 samples with different contents is needed for a minimal calibration.
  • NIR-Predictor helps to create a template file (.csv) to enter the Lab values.

4. Creating your own Calibrations with NIR-Predictor to combine your NIR and Lab data for a calibration request : watch Video read Manual


NIR-Predictor Download

The free NIR-Predictor software
  • comes with demo data, so you can predict sample spectra with demo calibrations.
  • has no functional limitations, no nagging, no ads and needs no license-key.
  • you need no account and no registration to download and use.
  • runs on Microsoft Windows 10/8/7 (Starter, Basic, Professional) (32 bit / 64 bit).
  • no data is ever transmitted from your local machine. We don’t even collect usage data.
See more Videos

Beside the free NIR-Predictor software with Windows user interface,
the real-time Predictor Engine is also available
  • for embedded integration in application, cloud and instrument-software (ICT).
  • As a light-weigt single library file (DLL)
    with application programming interface (API),
    documentation and software development kit (SDK)
    including sample source code (C#).
  • Easy integration and deployment,
    no software license protection (no serial key, no dongle).
  • Put your spectrum as an array into the multivariate predictor,
    no specific file format needed.
  • Fast prediction speed and low latency
    because of compiled code library (direct call, no cloud API).
  • Protected prediction results with outlier detection information.
See NIR Method Development Service for Labs and NIR-Vendors (OEM, White-Label)

Software Size Date Comment
NIR-Predictor V2.6.0.2 (download)

What’s new, see Release Notes

By downloading and/or using the software
you accept the Software License Agreement (EULA)
3.7 MB 18.08.2021 public release

Minimal System Requirements
Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account

There are no administrator rights required, unpack the zip file to a folder “NIR-Predictor” in your documents or on your desktop.
Read the ReadMe.txt and double click the NIR-Predictor.exe file.

If you have installed an older version of NIR-Predictor then unpack into a different folder named e.g. “NIR-PredictorVx.y”. All versions can run side-by-side. Copy the Calibrations in use to the new version into the “Calibration” folder. That’s all.

Make sure to backup your reports and calibrations inside your “NIR-Predictor” folder. Delete the “NIR-Predictor” folder.

Start Calibrate

See also: