Spectroscopy and Chemometrics/Machine-Learning News Weekly #21, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 20, 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 20, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 20, 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)

“Agriculture : Feasibility of Near-Infrared Spectroscopy for Rapid Detection of Available Nitrogen in Vermiculite Substrates in Desert Facility Agriculture” LINK

“Blood discrimination based on NIR spectroscopy and BP neural network combined with genetic algorithm” LINK

“Automated surface mapping via unsupervised learning and classification of Mercury Visible-Near-Infrared reflectance spectra” LINK

“At-line and inline prediction of droplet size in mayonnaise with near-infrared spectroscopy” LINK

“Use of near-infrared spectroscopy and chemometrics for fast discrimination of Sargassum fusiforme” LINK

” Chemometric studies of hops degradation at different storage forms using UVVis, NIRS and UPLC analyses” LINK

“Portable NIR spectroscopy and PLS based variable selection for adulteration detection in quinoa flour” LINK

“Foods : Assessment of Pumpkin Seed Oil Adulteration Supported by Multivariate Analysis: Comparison of GC-MS, Colourimetry and NIR Spectroscopy Data” LINK

“Near infrared spectroscopy to evaluate the effect of a hybrid exercise programme on peripheral muscle metabolism in patients with intermittent claudication: an …” LINK

“Plants : Prediction and Comparisons of Turpentine Content in Slash Pine at Different Slope Positions Using Near-Infrared Spectroscopy” LINK

“Teknologi Near Infrared Reflectance Spectroscopy (NIRS) dan Metode Kemometri untuk Deteksi Pemalsuan Minyak Nilam” LINK

“Raman and near Infrared Spectroscopy for Quantification of Fatty Acids in Muscle Tissue—A Salmon Case Study” LINK

“Multi-information based on ATR-FTIR and FT-NIR for identification and evaluation for different parts and harvest time of Dendrobium officinale with chemometrics” LINK

“Application of near infrared spectroscopy to predict contents of various lactones in chromatographic process of Ginkgo Folium” LINK

“A feasibility study on improving the non-invasive detection accuracy of bottled Shuanghuanglian oral liquid using near infrared spectroscopy” LINK

“The application of NIR spectroscopy in moisture determining of vegetable seeds” | seedtesting seedquality NIRS methodDevelopment Calibration solution content analysis seed grain grains LINK

“Aplicación de imágenes hiperespectrales (HSI-NIR) para la determinación de estrés hídrico en hojas de patata.” LINK

“Analyzing Classification Performance of fNIRS-BCI for Gait Rehabilitation Using Deep Neural Networks” | LINK

“Near-infrared spectroscopy and machine learning-based technique to predict quality-related parameters in instant tea” | LINK

“Prediction of Wheat Quality Parameters Combining Raman, Fluorescence and Near‐Infrared Spectroscopy (NIRS)” LINK

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

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

“Single-domain nearinfrared protein provides a scaffold for antigen-dependent fluorescent nanobodies” LINK

“Analyzing the Water Confined in Hydrogel Using Near-Infrared Spectroscopy” LINK

“Application of infrared spectroscopic techniques to cheese authentication: A review” LINK

“Estimation of grain quality parameters in rice for highthroughput screening with nearinfrared spectroscopy and deep learning” LINK

Hyperspectral Imaging (HSI)

“Multispectral camera system design for replacement of hyperspectral cameras for detection of aflatoxin B1” LINK

“Hyperspectral Imaging for cherry tomato” LINK

“A novel 3D convolutional neural network model with supervised spectral regression for recognition of hyperspectral images of colored wool fiber” LINK

“Channel and band attention embedded 3D CNN for model development of hyperspectral image in object-scale analysis” LINK

“A novel high-throughput hyperspectral scanner and analytical methods for predicting maize kernel composition and physical traits” LINK

“Learning Multiscale Temporal-Spatial-Spectral Features via a Multi-path Convolutional LSTM Neural Network for Change Detection with Hyperspectral Images” LINK

“The relationship between the spatial pattern of lakeside wetlands and water quality utilizing UAV hyperspectral remote sensing” LINK

“Building spectral catalogue for salt marsh vegetation, hyperspectral and multispectral remote sensing” LINK

“Hyperspectral Unmixing Based on Nonnegative Matrix Factorization: A Comprehensive Review” LINK

“A systematic review on hyperspectral imaging technology with a machine and deep learning methodology for agricultural applications” LINK

“Using hyperspectral imaging technology for assessing internal quality parameters of persimmon fruits during the drying process” LINK

“Near-Infrared Hyperspectral Imaging Pipelines for Pasture Seed Quality Evaluation: An Overview” | LINK

Chemometrics and Machine Learning

“Chemometrics for Raman Spectroscopy Harmonization” LINK

“Determination of active ingredients in alcoholbased gel by spectroscopic techniques and chemometric analysis” LINK

“Effect of variable selection algorithms on model performance for predicting moisture content in biological materials using spectral data” LINK

Photorealistic Text-to-Image Diffusion Models with Deep Language Understanding project page: sota FID(7.27 on COCO), without ever training on COCO, human raters find Imagen samples to be on par with the COCO data itself in image-text alignment LINK

“Validação prática de modelos de infravermelho próximo para tomate: sólidos solúveis e acidez” LINK


“Does active sitting provide more physiological changes than traditional sitting and standing workstations?” LINK

Research on Spectroscopy

“Destructive and rapid non-invasive methods used to detect adulteration of dried powdered horticultural products: A review” LINK

“Development of a spectroscopic approach for non-destructive and rapid screening of cucumbers based on maximum limit of nitrate accumulation” LINK

Equipment for Spectroscopy

“Review of portable near infrared spectrometers: Current status and new techniques” LINK

“Discrimination of the Red Jujube Varieties Using a Portable NIR Spectrometer and Fuzzy Improved Linear Discriminant Analysis” | LINK

Process Control and NIR Sensors

“Applied Sciences : Process Monitoring Using Kernel PCA and Kernel Density Estimation-Based SSGLR Method for Nonlinear Fault Detection” LINK

“Distinctive Microbial Processes and Controlling Factors Related to Indirect N2O Emission from Agricultural and Urban Rivers in Taihu Watershed” LINK

Environment NIR-Spectroscopy Application

“Monitoring the Concentrations of Cd, Cu, Pb, Ni, Cr, Zn, Mn and Fe in Cultivated Haplic Luvisol Soils Using Near-Infrared Reflectance Spectroscopy” LINK

“Plants : Variations in Total Phenolic, Total Flavonoid Contents, and Free Radicals’ Scavenging Potential of Onion Varieties Planted under Diverse Environmental Conditions” LINK

“Vis-NIR-spectroscopy-and loss-on-ignition-based functions to estimate organic matter content of calcareous soils” | LINK

“Remote Sensing : Mapping Soil Properties with Fixed Rank Kriging of Proximally Sensed Soil Data Fused with Sentinel-2 Biophysical Parameter” LINK

“Effects of hyperspectral data with different spectral resolutions on the estimation of soil heavy metal content: From ground-based and airborne data to satellite …” LINK

“Comparing Two Different Development Methods of External Parameter Orthogonalization for Estimating Organic Carbon from Field-Moist Intact Soils by Reflectance …” LINK

“Towards recycling of challenging waste fractions: Identifying flame retardants in plastics with optical spectroscopic techniques” LINK

Agriculture NIR-Spectroscopy Usage

“Plants : Comparative Analysis of the NDVI and NGBVI as Indicators of the Protective Effect of Beneficial Bacteria in Conditions of Biotic Stress” LINK

“Agriculture : Online Detection and Classification of Moldy Core Apples by Vis-NIR Transmittance Spectroscopy” LINK

“Aggregate size distribution of arid and semiarid laboratory soils (< 2 mm) as predicted by VIS-NIR-SWIR spectroscopy” LINK

“Application of near-infrared spectroscopy to agriculture and forestry” LINK

“Dry heating, moist heating, and microwave irradiation of coldclimateadapted barley grainEffects on ruminantrelevant carbohydrate and molecular structural spectral profiles” LINK

“Nutrient digestibility and predicting the energy content of pig feeds” LINK

“Comparative study of different wavelength selection methods in the transfer of crop kernel qualitive near-infrared models” LINK

“Agronomy : Monitoring of Nitrogen Indices in Wheat Leaves Based on the Integration of Spectral and Canopy Structure Information” LINK

“… visualization and quantification of total acid and reducing sugar contents in fermented grains by combining spectral and color data through hyperspectral imaging” LINK

“Biomarkers and biosensors for the diagnosis of noncompliant pH, dark cutting beef predisposition, and welfare in cattle” LINK

Forestry and Wood Industry NIR Usage

“A spectral analysis of stem bark for boreal and temperate tree species” | LINK

“Optical properties of transparent wood composites prepared using transverse sections of poplar wood” | LINK

Food & Feed Industry NIR Usage

“Foods : Oxidative Stability and Antioxidant Activity of Selected Cold-Pressed Oils and Oils Mixtures” LINK

“Predicting Single Kernel Moisture and Protein Content of Mushroom Popcorn Using NIR Spectroscopy: Tool for Determining Their Effect on Popping Performance” LINK

“Research on Physicochemical Properties, Microscopic Characterization and Detection of Different Freezing-damaged Corn Seeds” LINK

“Estimating cadmium-lead concentrations in rice blades through fractional order derivatives of foliar spectra” LINK

“Recent advances in emerging techniques for non-destructive detection of seed viability: A review” seedtesting seedGermination seedquality NDT nondestructiveTesting seeds LINK

Laboratory and NIR-Spectroscopy

“Optimizing a Standard Spectral Measurement Protocol to Enhance the Quality of Soil Spectra: Exploration of Key Variables in Lab-Based VNIR-SWIR Spectral …” LINK


“A Robust Functional Partial Least Squares for ScalaronMultipleFunction Regression” LINK

“Planetary Terrestrial Analogues Library Project: 3. Characterization of Samples With MicrOmega” LINK


“A robust functional partial least squares for scalaronmultiplefunction regression” LINK

“Facebook trained AI to fool facial recognition systems, and it works on live video” deepfakes deidentification LINK

“Optical properties and novelty preparation PVA/PVP doping with Cu as surface plasmonic ions” LINK


Spectroscopy and Chemometrics News Weekly #11, 2020


How to Develop Near-Infrared Spectroscopy Calibrations in the 21st Century? | Chemometrics Analytische Chemie LINK

Simplify the process of training machine learning models for NIR spectra data with applied near-infrared spectroscopy (NIRS) knowledge. quantitative multivariate prediction equations LINK

Spectroscopy and Chemometrics News Weekly 10, 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 10, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 10, 2020 | NIRS NIR Spettroscopia analisi chimica Spettrale Spettrometro IoT Sensore Attrezzatura analitica nearinfrared foodscience foodprocessing foodsafety foodproduction farming agriculture LINK

Near Infrared

“Klasifikasi Kopi Green Beans Arabika Sumatera Utara Menggunakan FT-Nirs dan Analisis Diskriminan” LINK


” Identification of common wood species in northeast China using Vis/NIR spectroscopy” LINK

“Efficient Super Broadband NIR Ca2LuZr2Al3O12:Cr3+,Yb3+ Garnet Phosphor for pc‐LED Light Source toward NIR Spectroscopy Applications” LINK

“Performance comparison of sampling designs for quality and safety control of raw materials in bulk: a simulation study based on NIR spectral data and geostatistical …” LINK

“Prediction of drug dissolution from Toremifene 80 mg tablets using NIR spectroscopy” LINK

“Nearinfrared spectroscopy (NIRS) for taxonomic entomology: A brief review” LINK

“Determination of tomato quality attributes using portable NIR-sensors” LINK

“Exploring the potential of NIR hyperspectral imaging for automated quantification of rind amount in grated Parmigiano Reggiano cheese” LINK

“Rapid detection of adulteration of minced beef using Vis/NIR reflectance spectroscopy with multivariate methods.” LINK

“Evaluation of quinclorac toxicity and alleviation by salicylic acid in rice seedlings using ground-based visible/near-infrared hyperspectral imaging.” LINK

“An optimized non-invasive glucose sensing based on scattering and absorption separating using near-infrared spectroscopy” LINK

“Identification of waxy cassava genotypes using fourier‐transform near‐infrared spectroscopy” LINK

“Kernel functions embedded in support vector machine learning models for rapid water pollution assessment via near-infrared spectroscopy” LINK

“Near-infrared-based Identification of Walnut Oil Authenticity” LINK

“Detection of flaxseed oil multiple adulteration by near-infrared spectroscopy and nonlinear one class partial least squares discriminant analysis” LINK

“Application research of sensor output digitization for compact near infrared IOT node” LINK

“Refining Transfer Set in Calibration Transfer of Near Infrared Spectra by Backward Refinement of Samples” LINK

“Highly identification of keemun black tea rank based on cognitive spectroscopy: Near infrared spectroscopy combined with feature variable selection” LINK

“Optimizing Rice Near-Infrared Models Using Fractional Order SavitzkyGolay Derivation (FOSGD) Combined with Competitive Adaptive Reweighted Sampling (CARS)” LINK

“Fourier transform near infrared spectroscopy as a tool to discriminate olive wastes: The case of monocultivar pomaces.” LINK

“Evaluation of quinclorac toxicity and alleviation by salicylic acid in rice seedlings using ground-based visible/near-infrared hyperspectral imaging” LINK

“Near Infrared Spectrometric Investigations on the behaviour of Lactate.” LINK

“Nondestructive rapid and quantitative analysis for the curing process of silicone resin by nearinfrared spectra” LINK

“An introduction to handheld infrared and Raman instrumentation” LINK


“Hyperspectral anomaly detection by local joint subspace process and support vector machine” LINK

“Assessment of matcha sensory quality using hyperspectral microscope imaging technology” LINK


“Application of Infrared Spectroscopy and Chemometrics to the Cocoa Industry for Fast Composition Analysis and Fraud Detection” LINK

“Calibration models for the nutritional quality of fresh pastures by nearinfrared reflectance spectroscopy” LINK

“Achieving robustness to temperature change of a NIRS-PLSR model for intact mango fruit dry matter content” LINK

“Application of hyperspectral imaging combined with chemometrics for the non-destructive evaluation of the quality of fruit in postharvest” LINK


“Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning Machine Algorithm” LINK

“MEMS technology for fabricating plasmonic near-infrared spectrometers” LINK

“Sensors, Vol. 20, Pages 545: Development of Low-Cost Portable Spectrometers for Detection of Wood Defects” LINK


“Classification of Granite Soils and Prediction of Soil Water Content Using Hyperspectral Visible and Near-Infrared Imaging” LINK

“Determining mandatory nutritional parameters for Iberian meat products using a new method based on near infra-red reflectance spectroscopy and data mining” LINK


“Instrumental Procedures for the Evaluation of Juiciness in Peach and Nectarine Cultivars for Fresh Consumption” LINK

“The creation of the FT-NIR calibration for the determination of the amount of corn grain in concentrated feed” LINK

In this 9th clip from his presentation at the 2019 IFS Agronomic Conference, Wouter Saeys explains which type of NIR is best for measuring the nutrient content of manure, and why. Info on this paper is here; it’s free for Society Members to download: LINK

“Remote Sensing, Vol. 12, Pages 928: Machine Learning Algorithms to Predict Forage Nutritive Value of In Situ Perennial Ryegrass Plants Using Hyperspectral Canopy Reflectance Data” LINK

“Development of a Method To Prioritize Protein-Ligand Pairs on Beads Using Protein Conjugated to a Near-IR Dye.” LINK

“Agronomy, Vol. 10, Pages 148: Performance Evaluation of Two Commercially Available Portable Spectrometers to Non-Invasively Determine Table Grape and Peach Quality Attributes” LINK

“Investigation of a Medical Plant for Hepatic Diseases with Secoiridoids Using HPLC and FT-IR Spectroscopy for a Case of Gentiana rigescens” LINK

Food & Feed

“Comparison of sensory evaluation techniques for Hungarian wines” LINK


“Roadmap of cocoa quality and authenticity control in the industry: A review of conventional and alternative methods” LINK

Spectroscopy and Chemometrics News Weekly #6, 2020


Spectroscopy and Chemometrics News Weekly 5, 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 5, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 5, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near Infrared Spectroscopy

“Reduction of repeatability error for Analysis of variance-Simultaneous Component Analysis (REP-ASCA): Application to NIR spectroscopy on coffee sample” LINK

“Permafrost soil complexity evaluated by laboratory imaging Vis–NIR spectroscopy” LINK

“Total nitrogen in rice paddy field independently predicted from soil carbon using Near Infrared Reflectance Spectroscopy (NIRS)” LINK

” Visible-near Infrared (VIS-NIR) Spectroscopy as a Rapid Measurement Tool to Assess the Effect of Tillage on Oil Contaminated Sites” LINK

“Detection of aflatoxin B1 on corn kernel surfaces using visible-near infrared spectra” LINK

“The model updating based on near infrared spectroscopy for the sex identification of silkworm pupae from different varieties by a semi-supervised learning with pre-labeling method” LINK

“Quantification of Carbon Nanotube Doses in Adherent Cell Culture Assays Using UV-VIS-NIR Spectroscopy.” LINK

“A new application of NIR spectroscopy to describe and predict purees quality from the non-destructive apple measurements.” LINK

“Analysis of temperature influence on physical properties of aqueous extracts of winter savoury (Satureja montana L.) with UV-VIS and NIR spectroscopy” LINK

“Mixed Fuzzy Maximum Entropy Clustering Analysis of FT-NIR Spectra of Tea” LINK

“Determination of Chinese Honey Adulterated with Syrups by Near Infrared Spectroscopy Combined with Chemometrics” LINK

“Surface Analysis of Various Oxide Materials by using NIR Spectroscopy—Is Silica Surface Really Hydrophilic?—” LINK

“Grape Seeds: Chromatographic Profile of Fatty Acids and Phenolic Compounds and Qualitative Analysis by FTIR-ATR Spectroscopy” Foods LINK

“Continuous statistical modelling in characterisation of complex hydrocolloid mixtures using near infrared spectroscopy” LINK

“Probing Sucrose Contents in Everyday Drinks Using Miniaturized Near-Infrared Spectroscopy Scanners” LINK


“Determination of sodium alginate in algae by near-infrared spectroscopy” LINK

“Near-infrared spectroscopy and hidden graphics applied in printing security documents in the offset technique” LINK

“Differentiation between normal and white striped turkey breasts by visible/near infrared spectroscopy and multivariate data analysis” LINK

“Rapid Determination of Holocellulose and Lignin in Wood by Near Infrared Spectroscopy and Kernel Extreme Learning Machine” LINK

Hyperspectral Imaging

“Cross-Category Tea Polyphenols Evaluation Model Based on Feature Fusion of Electronic Nose and Hyperspectral Imagery” LINK

Chemometrics / Machine Learning

“Data Preprocessing and Homogeneity: The Influence on Robustness and Modeling by PLS Via NIR of Fish Burgers” LINK

“Identification of Rice Varieties and Transgenic Characteristics Based on Near-Infrared Diffuse Reflectance Spectroscopy and Chemometrics” LINK

“Rapid detection model of Bacillus subtilis in solidstate fermentation of rapeseed meal” LINK



“The Jacopo Tintoretto “Wedding Feast at Cana”: A non-invasive and multi-technique analytical approach for studying painting materials” LINK


“The effect of soil moisture on the accuracy of the spectroscopy method in estimating the amount of soil organic matter” LINK


“Determination of The Effect of Technological Procedures Applied in Feed Factories on Mixed Feed Nutrition and Forming Quality Critical Points” LINK


“Spectroscopic diagnosis of zinc contaminated soils based on competitive adaptive reweighted sampling algorithm and an improved support vector machine” LINK

” High-protein rice in high-yielding background, cv. Naveen” LINK

Food & Feed

“Development and implementation of novel sensory evaluation procedures of consumer acceptability towards chocolate based on emotions and biometric responses” LINK