Spectroscopy and Chemometrics/Machine-Learning News Weekly #46, 2021ews Weekly #46, 2021

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Spectroscopy and Chemometrics News Weekly 45, 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 45, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 45, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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Near-Infrared Spectroscopy (NIRS)

“Intramuscular Near-Infrared Spectroscopy for Muscle Flap Monitoring in a Porcine Model” LINK

“Avocado dehydration negatively affects the performance of visible and near-infrared spectroscopy models for dry matter prediction” LINK

“Ultraviolet/Visible and Near-Infrared Dual Spectroscopic Method for Detection and Quantification of Low-Level Malaria Parasitemia in Whole Blood” LINK

“NIR hyperspectral imaging for predicting the composition of granular food commodities” LINK

“Multi-output 1-dimensional convolutional neural networks for simultaneous prediction of different traits of fruit based on near-infrared spectroscopy” LINK

“Non-Destructive Quality Measurement for Three Varieties of Tomato Using VIS/NIR Spectroscopy. Sustainability” | LINK

“Handheld NIRS for forage evaluation” LINK

“Rapid and Nondestructive Determination of Polyacrylonitrile Molecular Weight by Fourier Transform near-Infrared (NIR) Spectroscopy” LINK

“Determination of alcohols-diesel oil by near infrared spectroscopy based on gramian angular field image coding and deep learning” LINK

“Exploring Effects of Sample Storage, Preparation, and Tissue Type on Fourier Transform-Near Infrared Spectroscopy (Ft-Nirs) Ageing Across Fish Taxa” LINK

“Near-infrared optical spectroscopy for pancreas shrinkage estimation with multi synchrosqueezing transform and multivariate regression model” | LINK

“Explainable artificial intelligence based analysis for interpreting infant fNIRS data in developmental cognitive neuroscience” LINK

“In Situ Determination of Cannabidiol in Hemp Oil by Near-Infrared Spectroscopy” LINK

“Rapid detection of adulteration in desiccated coconut powder: vis-NIR spectroscopy and chemometric approach” LINK

“Blood volume vs. deoxygenated NIRS signal: computational analysis of the effects muscle O2 delivery and blood volume on the NIRS signals” LINK

“Near-Infrared Spectroscopy Study of Serpentine Minerals and Assignment of the OH Group” LINK

“Identification of Microbes in Wounds via Near-Infrared Spectroscopy” LINK

“What causes differences in fracture rates of silcrete during heat treatment? A near-infrared study of water-related transformations in South African silcretes” LINK

“Correction of the moisture variation in wood NIR spectra for species identification using EPO and soft PLS2-DA” LINK

“Classification of rice based on storage time by using near infrared spectroscopy and chemometric methods” LINK

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

“Coherent Raman scattering imaging with a near-infrared achromatic metalens” LINK

“An Improved Residual Network for Pork Freshness Detection Using Near-Infrared Spectroscopy” LINK

“Distinguishing between different types of multi‐layered PET‐based backsheets of PV modules with nearinfrared spectroscopy” LINK

“Rapid Prediction Method of α-Glycosidase Inhibitory Activity of Coreopsis tinctoria Extract from Different Habitats by Near Infrared Spectroscopy” LINK

“Internal Quality Classification of Apples Based on Near Infrared Spectroscopy and Evidence Theory” LINK

“NearInfrared Photoactive Semiconductor Quantum Dots for Solar Cells” LINK

Hyperspectral Imaging (HSI)

“Application of hyperspectral imaging in the detection of aflatoxin B1 on corn seed” | LINK

“Hyperspectral Imaging Simulator and Applications for Unmanned Aerial Vehicles” LINK

“SWiVIA – Sliding window variographic image analysis for real-time assessment of heterogeneity indices in blending processes monitored with hyperspectral imaging” LINK

“Prediction of coffee aroma from single roasted coffee beans by hyperspectral imaging” LINK

“Evaluation of hyperspectral imaging to quantify perfusion changes during the modified Allen test” LINK

“Near infrared hyperspectral imaging for non-destructive determination of pH value in red delicious apple fruit during shelf life” LINK

Chemometrics and Machine Learning

“Determining tangential contact force model parameters for viscoelastic materials (apples) using a rheometer” LINK

“Physicochemical properties, content, composition and partial least squares models of A. trifoliata seeds oil” LINK

“Chemometrics and Experimental Design for the Quantification of Nitrate Salts in Nitric Acid: Near-Infrared Spectroscopy Absorption Analysis” LINK

“Evaluation and Monitoring of the API Content of a Portable Near Infrared Instrument Combined with Chemometrics Based on Fluidized Bed Mixing Process” | LINK

“Digital Twin of Low Dosage Continuous Powder Blending-Artificial Neural Networks and Residence Time Distribution Models” LINK

“Relationship Between Image Spectroscopy Spatial Resolution and Crown Level Tree Species Classification Accuracy” LINK

“An uncertainty sampling strategy based model updating method for soluble solid content and firmness prediction of apples from different years” LINK

Optics for Spectroscopy

“Leaky Mode Resonance-Induced Sensitive Ultraviolet Photodetector Composed of Graphene/Small Diameter Silicon Nanowire Array Heterojunctions” LINK


“Superiority Verification of Deep Learning in the Identification of Medicinal Plants: Taking Paris polyphylla var. yunnanensis as an Example” | LINK

Environment NIR-Spectroscopy Application

“Remote Sensing : Study on the Pretreatment of Soil Hyperspectral and Na+ Ion Data under Different Degrees of Human Activity Stress by Fractional-Order Derivatives” LINK

“Long-term effects of water stress on hyperspectral remote sensing indicators in young radiata pine” LINK

“Rapid assessment of soil water repellency indices using Vis-NIR spectroscopy and pedo-transfer functions” LINK

Agriculture NIR-Spectroscopy Usage

“Non-destructive determination of protein and amino acids concentration and their relationship with grain yield affected by different irrigation, sowing date …” LINK

“Physiological and molecular characterization of the late ripening stages in Mangifera indica cv Keitt” LINK

” Using UAV-based hyperspectral imaging and functional regression to assist in predicting grain yield and related traits in wheat under heat-related stress …” | LINK

“Crop Production Under Urbanisation: An Experimental Approach to Understand and Model Agricultural Intensification” | LINK

“Advancements in Forage Management: Grazing Horses on Cover Crops and Exploring Hand-Held Nirs Technology” LINK

Food & Feed Industry NIR Usage

“Applied Sciences : Winter Wheat Take-All Disease Index Estimation Model Based on Hyperspectral Data” LINK

“Foods : Total Fat Gravimetric Method Workflow in Portuguese Olives Using Closed-Vessel Microwave-Assisted Extraction (MAE)” LINK

“Foods : Multiple Breeds and Countries Predictions of Mineral Contents in Milk from Milk Mid-Infrared Spectrometry” LINK


“Fiber and digestibility of Piatã grass in systems in integration.” LINK

“Detection of syrup adulterants in manuka and jarrah honey using HPTLC-multivariate data analysis” | LINK

Spectroscopy and Chemometrics/Machine Learning News Weekly #39, 2021

NIR Calibration-Model Services

“NIR-Predictor is a FREE Windows App capable of reporting the analysis results of the prediction data from any NIR spectrometer.” | NIRanalysis NIRspectrometer NIRcalibration NIRprediction NIRresults NIRS NIR LINK

How to create Near-Infrared Spectroscopy Equations today? | Application Prozess Chemie NIR Engineer Lab NIR ag LINK

Spectroscopy and Chemometrics/Machine Learning News Weekly 38, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality 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)

“Effectiveness of visible – Near infrared spectroscopy coupled with simulated annealing partial least squares analysis to predict immunoglobulins G, A, and M concentration in bovine colostrum” LINK

“Prospector is an Android app capable of capturing, storing, visualizing, and exporting data from … handheld NIR spectrometers.” | AndroidApp handheldNIR NIRspectrometers LINK

“NIR-Predictor is a FREE Windows App capable of reporting the analysis results of the prediction data from any NIR spectrometer.” | NIRanalysis NIRspectrometer NIRcalibration NIRprediction NIRresults NIRS NIR LINK

“Shining NIR light on ivory: A practical enforcement tool for elephant ivory identification” LINK

“Foods : Near-Infrared Spectroscopy (NIRS) as a Tool for Classification of Pre-Sliced Iberian Salchichón, Modified Atmosphere Packaged (MAP) According to the Official Commercial Categories of Raw Meat” LINK

“NIRS as a biomarker of bowel ischaemia & surgical pathology: a meta-analysis of studies in newborns” LINK

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

“Cluster Analysis for IR and NIR Spectroscopy: Current Practices to Future Perspectives” LINK

“Bibliometric Analysis of Near-infrared Spectroscopy in Global Food Areas” LINK

“Prospector: A mobile application for portable, high‐throughput near‐infrared spectroscopy phenotyping” LINK

“Effects of spectral transformations in support vector machine on predicting’Arumanis’ mango ripeness using near-infrared spectroscopy” LINK

“Sammons mapping regression for the quantitative analysis of glucose from both mid infrared and near infrared spectra” LINK

“An Overview of Near Infrared Spectroscopy and Its Applications in the Detection of Genetically Modified Organisms” GMO LINK

“Application of machinelearning methods to milk mid-infrared spectra for discrimination of cow milk from pasture or total mixed ration diets” LINK

“Application of Near Infrared Spectroscopy and Hyperspectral Imaging Technology to Detect Fruit Maturity” LINK

Hyperspectral Imaging (HSI)

“Pigment analysis based on a line-scanning fluorescence hyperspectral imaging microscope combined with multivariate curve resolution” LINK

“Hyperspectral image processing for the identification and quantification of lentiviral particles in fluid samples” LINK

“Remote Sensing : Evaluation of Point Hyperspectral Reflectance and Multivariate Regression Models for Grapevine Water Status Estimation” LINK

“Evaluation of Transmission Raman spectroscopy and NIR Hyperspectral Imaging for the assessment of content uniformity in solid oral dosage forms” LINK

Chemometrics and Machine Learning

“IJERPH : Prediction Models of Early Childhood Caries Based on Machine Learning Algorithms” LINK

“Mushroom’s Evaluation Based on FT-IR Fingerprint and Chemometrics” | mushrooms mushroom mushroomHunting LINK

“Applied Sciences : Adaptable and Explainable Predictive Maintenance: Semi-Supervised Deep Learning for Anomaly Detection and Diagnosis in Press Machine Data” LINK

“Forensics Applications of Raman Spectroscopy, ATR FT-IR, and Chemometrics” LINK

“Foods : Vibrational Spectroscopy Combined with Chemometrics as Tool for Discriminating Organic vs. Conventional Culture Systems for Red Grape Extracts” LINK


“Plants : To What Extent Are the Effects of UV Radiation on Grapes Conserved in the Resulting Wines?” LINK

“Foods : How Do the Different Types of Carrier and Drying Techniques Affect the Changes in Physico-Chemical Properties of Powders from Chokeberry Pomace Extracts?” LINK

Research on Spectroscopy

“Polymers : Ansamitocin P3-Loaded Gold-NanoCage Conjugated with Immune Checkpoint Inhibitor to Enhance Photo-Chemo-Thermal Maturation of Dendritic Cells for Hepatocellular Carcinoma” LINK

“Research on the online rapid sensing method of moisture content in famous green tea spreading” LINK

Equipment for Spectroscopy

“Application of hand-held near-infrared and Raman spectrometers in surface treatment authentication of cork stoppers” LINK

Process Control and NIR Sensors

“Charge-Transfer in Panchromatic Porphyrin-Tetracyanobuta-1,3-diene-Donor Conjugates: Switching the Role of Porphyrin in the Charge Separation Process” LINK

Environment NIR-Spectroscopy Application

“Assessing Soil Organic Matter Content in a Coal Mining Area through Spectral Variables of Different Numbers of Dimensions” LINK

Agriculture NIR-Spectroscopy Usage

“New $20m feed technology facility: Production efficiency is a big area for us ” LINK

“Remote Sensing : Broadacre Crop Yield Estimation Using Imaging Spectroscopy from Unmanned Aerial Systems (UAS): A Field-Based Case Study with Snap Bean” LINK

“An effective strategy for the monitoring of microplastics in complex aquatic matrices: Exploiting the potential of near infrared hyperspectral imaging (NIR-HSI)” LINK

“Agronomy : The Effect of Tytanit Foliar Application and Different Nitrogen on Fibre Fraction Content and the Feed Value of Festulolium braunii” LINK

“Hyperspectral imaging as an emerging tool to analyze microplastics: A systematic review and recommendations for future development” LINK

Food & Feed Industry NIR Usage

“Effectiveness of two different at-line instruments for the assessment of cheese composition, major minerals and fatty acids content” LINK

“Feasibility study on quantification and authentication of the cassava starch content in wheat flour for bread-making using NIR spectroscopy and Digital Images” LINK

Pharma Industry NIR Usage

“Exploiting spatio-spectral aberrations for rapid synchrotron infrared imaging” LINK


“Integrated sedimentary and high-resolution mineralogical characterisation of Ordovician shale from Canning Basin, Western Australia: Implications for facies …” LINK


Spectroscopy and Chemometrics News Weekly #28, 2021

NIR Calibration-Model Services

NIR User? Get better results faster | Food Science QC Lab Laboratory Manager chemist LabWork Chemie Analytik LINK

Spectroscopy and Chemometrics News Weekly 27, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality 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)

“17th International Conference on Near Infrared Spectroscopy-Book of Abstracts” |ience/nir-abstracts/papers/near-infrared-spectroscopy-using-a-supercontinuum-laser—application-to-long-wavelength-transmission-spectra-of-barley- LINK

“Prediction Performance and Economic Efficiency of Soft Sensors for in-Line Water Content Monitoring in Fluidized Bed Granulation: PP-Based Model vs. NIRS-Based …” LINK

“Evaluation of Quality Parameters of Açaí Oil During Thermal Oxidation Using NIRS and Chemometrics” | LINK

“Caffeine content calibration model on green beans arabica Mandailing Natal coffee using NIRS and artificial neural network” LINK


“Determination of multiple components in urine using FT-MIR, NIR, and FT-Raman spectroscopic” LINK

“Near-Infrared Spectroscopy (NIRS) and Optical Sensors for Estimating Protein and Fiber in Dryland Mediterranean Pastures. AgriEngineering 2021LINK

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

“Near Infrared Technology” LINK

“A simple multiple linear regression model in near infrared spectroscopy for soluble solids content of pomegranate arils based on stability competitive adaptive re …” LINK

“Nondestructive determination of GABA in germinated brown rice with near infrared spectroscopy based on wavelet transform denoising” LINK

“Soil characterization by near-infrared spectroscopy and principal component analysis1” LINK

“Classification of Prefrontal Cortex Activity Based on Functional Near-Infrared Spectroscopy Data upon Olfactory Stimulation” LINK

“Determination of Fatty Acid Content of Rice during Storage Based on Feature Fusion of Olfactory Visualization Sensor Data and Near-Infrared Spectra” LINK

“Near infrared spectroscopy to rapid assess the rubber tree clone and the influence of maturation and disease at the leaves” LINK

“Fraud Detection in Batches of Sweet Almonds by Portable Near-Infrared Spectral Devices” LINK

“Near Infrared Reflectance Spectroscopy Analysis to Predict Diet Composition of a Mountain Ungulate Species” LINK

“Simultaneous determination of five micro-components in Chrysanthemum morifolium (Hangbaiju) using near-infrared hyperspectral imaging coupled with deep …” LINK


“Mineralogy of the far-side lunar surface explored by Chang’E-4 with visible and near-infrared reflectance spectra” LINK

“Precise high-throughput online near-infrared spectroscopy assay to determine key cell wall features associated with sugarcane bagasse digestibility” | LINK

Raman Spectroscopy

“Noninvasive identification of turmeric and saffron dyes in proteinaceous textile fibres using Raman spectroscopy and multivariate analysis” LINK

“Raman Spectroscopy Can Distinguish Glyphosate-Susceptible and -Resistant Palmer Amaranth (Amaranthus palmeri)” | LINK

“Possibility of Human Gender Recognition Using Raman Spectra of Teeth” LINK

Hyperspectral Imaging (HSI)

“Fusion of Hyperspectral Images. Looking at the structure of vegetal tissues: a case study.” LINK

“Hyperspectral imaging for prediction of surface roughness in laser powder bed fusion” LINK

“The Applications of Hyperspectral Imaging Technology for Agricultural Products Quality Analysis: A Review” LINK

“Design and demonstration of airborne imaging system for target detection based on area-array camera and push-broom hyperspectral imager” LINK

“Unaligned Hyperspectral Image Fusion via Registration and Interpolation Modeling” LINK

Chemometrics and Machine Learning

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

“Foods : Sensory and Olfactometry Chemometrics as Valuable Tools for Assessing Hops Aroma Impact on Dry-Hopped Beers: A Study with Wild Portuguese Genotypes” LINK

“A fast and low-cost approach to quality control of alcohol-based hand sanitizer using a portable near infrared spectrometer and chemometrics” LINK

“Monitoring vitamin C extraction using multivariate calibration models by NIR1” LINK

“Remote Sensing : Inter-Annual Variability in the Antarctic Ice Sheets Using Geodetic Observations and a Climate Model” LINK

“Sensors : Radar Sensing for Activity Classification in Elderly People Exploiting Micro-Doppler Signatures Using Machine Learning” LINK

“Remote Sensing : UAV Remote Sensing Estimation of Rice Yield Based on Adaptive Spectral Endmembers and Bilinear Mixing Model” LINK

“Foods : Amino Acid Profiling with Chemometric Analysis as a Feasible Tool for the Discrimination of Marine-Derived Peptide Powders” LINK

“Sensors : Multi-Scale Superpixels Dimension Reduction Hyperspectral Image Classification Algorithm Based on Low Rank Sparse Representation Joint Hierarchical Recursive Filtering” LINK

“A regional-scale hyperspectral prediction model of soil organic carbon considering geomorphic features” LINK

“Molecules : In Situ Decarboxylation-Pressurized Hot Water Extraction for Selective Extraction of Cannabinoids from Cannabis sativa. Chemometric Approach” LINK

“A robot system for the autodetection and classification of apple internal quality attributes” LINK

“Calibration Maintenance Application of Near-infrared Spectrometric Model in Food Analysis” LINK

“Spectroscopic measurement approaches in evaluation of dry rubber content of cup lump rubber using machine learning techniques” LINK

“Dodecyl-substituted poly (3, 4-ethylenedioxyselenophene): polymerization and its solution-processable applications for electrochromic and organic solar cells” | LINK

“Application of Visible/Near Infrared Spectrometers to Quickly Detect the Nitrogen, Phosphorus, and Potassium Content of Chemical Fertilizers” Applied Sciences LINK

Process Control and NIR Sensors

“Unveiling meloxicam monohydrate process of dehydration by an at-line vibrational multi-spectroscopy approach” LINK

Environment NIR-Spectroscopy Application

“Minerals : Multisource Data Analysis for Gold Potentiality Mapping of Atalla Area and Its Environs, Central Eastern Desert, Egypt” LINK

“Effect of Biofertilizers Application on Soil Biodiversity and Litter Degradation in a Commercial Apricot Orchard” LINK

“Agronomy : Genotypic and Environmental Effect on the Concentration of Phytochemical Contents of Lentil (Lens culinaris L.)” LINK

“Chemosensors : A Potentiometric Electronic Tongue as a Discrimination Tool of Water-Food Indicator/Contamination Bacteria” LINK

Agriculture NIR-Spectroscopy Usage

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

“Beverages : Physicochemical Changes Occurring during Long-Time Fermentation of the Indigenous Alcoholic Sorghum-Based Beverages Brewed in Northern Cameroon” LINK

“Leveraging Computer Vision for Applications in Biomedicine and Geoscience” | LINK

“Dietary Patterns and the Risk of Inflammatory Bowel Disease: Findings from a Case-Control Study” Nutrients LINK

“Soil Nutrient and Vegetation Diversity Patterns of Alpine Wetlands on the Qinghai-Tibetan Plateau” Sustainability LINK

“Assessment of Soil Quality under Different Soil Management Strategies: Combined Use of Statistical Approaches to Select the Most Informative Soil Physico-Chemical Indicators” Applied Sciences LINK

“Nondestructive phenotyping fatty acid trait of single soybean seeds using reflective hyperspectral imagery” LINK

Horticulture NIR-Spectroscopy Applications

“Neural Network based Prediction of Soluble Solids Concentrationin Oriental Melon using VIS/NIR spectroscopy” LINK

Food & Feed Industry NIR Usage

“Nondestructive identification of barley seeds varieties using hyperspectral data from two sides of barley seeds” LINK

“The effect of cryogrinding and size separation on bioactive profile of buckwheat hulls” LINK

“Vis-NIR spectroscopic and chemometric models for detecting contamination of premium green banana flour with wheat by quantifying resistant starch content” LINK


“Sustainability : The Role of Co-Creating Value and Its Outcomes in Higher Education Marketing” LINK

“Multitechnique characterization of glass mosaic tesserae from Villa di Teodorico in Galeata (Italy)” LINK

“Controlled pDNA Release in Gemini Cationic Lipoplexes by Femtosecond Laser Irradiation of Gold Nanostars” LINK

“Random Lasing Detection of Mutant Huntingtin Expression in Cells” Sensors LINK

“Multi-sensors data fusion approach for site-specific seeding of consumption and seed potato production” | LINK


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

What’s new, see Release Notes

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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.

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