Spectroscopy and Chemometrics/Machine-Learning News Weekly #28, 2022

NIR Calibration-Model Services

Portable Near-Infrared Spectroscopy LINK

Efficient development of new quantitative prediction equations for multivariate data like NIR spectra | spectral LINK

Spectroscopy and Chemometrics News Weekly 27, 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 27, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 27, 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)

” NNB Monitoring and prediction of sensory shelf-life in strawberry with ultraviolet-visible-near-infrared (UV-VIS-NIR) spectroscopy” LINK

“Near Infrared Spectrograph (NIRSpec)” NASAWebb LINK

“Agronomic characterization of anaerobic digestates with near-infrared spectroscopy” LINK

“Near InfraredTriggered Theranostic Nanoplatform with Controlled Release of HSP90 Inhibitor for Synergistic Mild Photothermal and Enhanced Nanocatalytic Therapy with Hypoxia Relief” LINK

“Research on Online Rapid Sorting Method of Waste Textiles Based on Near-Infrared Spectroscopy and Generative Adversity Network” | LINK

“Agriculture : A First Attempt to Combine NIRS and Plenoptic Cameras for the Assessment of Grasslands Functional Diversity and Species Composition” LINK

“Foods : Classification of Tea Quality Levels Using Near-Infrared Spectroscopy Based on CLPSO-SVM” LINK

“Near-infrared spectroscopy combined with pattern recognition algorithms to quickly classify raisins” | LINK

“Assessment by Multi‐Distance Hyperspectral NIRS of Changes in the Oxidation State of Cytochrome C Oxidase (oxCCO) to Carotid Artery Compressions” LINK

“Imaging near-infrared luminescent nanoformulations to guide drug delivery and photoinduced therapy” LINK

“Positive Association between NIRS‐derived measures of Microvascular Reactivity and Mitochondrial Capacity in the Quadriceps and Hamstrings” LINK

“Is intraoperative near infrared spectroscopy a reliable monitoring method in preventing neurocognitive dysfunction in cardiac surgery?” LINK

“Fusion models for detection of soluble solids content in mandarin by Vis/NIR transmission spectroscopy combined external factors” LINK

“Enhanced near-infrared reflectance and functional characteristics of nano metal oxide embedded alkyd coatings” LINK

“Webb spectrum showcases galaxy’s composition” NIRSpec NearInfrared Spectrograph chemical composition Webbtelescope WebbSpaceTelescope webbfirstimages LINK

“Field-scale spatial correlation between soil and Vis-NIR spectra in the Cerrado biome of Central Brazil” LINK

“Metaheuristic algorithms in visible and near infrared spectra to detect excess nitrogen content in tomato plants” LINK

“Aquaphotomics for monitoring of groundwater using short-wavelength near-infrared spectroscopy” LINK

“Classifying waste wood from Amazonian species by near-infrared spectroscopy (NIRS) to improve charcoal production” LINK

“Rapid Determination of Urea Formaldehyde Resin Content in Wood Fiber Mat Using Near-infrared Spectroscopy” LINK

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

“NIR spectroscopy for rapid measurement of moisture and cannabinoid contents of industrial hemp (Cannabis sativa)” LINK

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

“A review on hybrid strategy-based wavelength selection methods in analysis of near-infrared spectral data” LINK

“Deep Learning-Based Multilevel Classification of Alzheimer’s Disease Using Non-invasive Functional Near-Infrared Spectroscopy” LINK

“Non-Invasive Detection of Anti-Inflammatory Bioactivity and Key Chemical Indicators of the Commercial Lanqin Oral Solution by Near Infrared Spectroscopy” | LINK

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

” The Importance of Wavelength Selection in On-Scene Identification of Drugs of Abuse with Portable Near-Infrared Spectroscopy” LINK

“Tunable Infrared Sensing Properties of MXenes Enabled by Intercalants” LINK

“Longwave Infrared Hyperspectral Emissivity Retrieval with Robustness to Spectral Uncertainty” LINK

“Rapid identification of the geographic origin of Taiping Houkui green tea using nearinfrared spectroscopy combined with a variable selection method” LINK

Raman Spectroscopy

“Highly Scalable, Wearable Surface-Enhanced Raman Spectroscopy” LINK

Hyperspectral Imaging (HSI)

“A New Method for Calculating Water Quality Parameters by Integrating Space-Ground Hyperspectral Data and Spectral-In situ Assay Data” LINK

“Research on hyperspectral band selection method for visual interpretation” LINK

“Classification of chemical species for nuclear reactor inspections using SWIR hyperspectral imaging” LINK

Chemometrics and Machine Learning

“Experimentation on Spectra Data Regression Using Dense Multilayer Neural Networks with Common Pre-processing” | LINK

“Top-down sensory prediction in the infant brain at 6 months is correlated with language development at 12 and 18 months” LINK

“Aerobic Fitness as a Predictor of Conduit, Resistance and, Microvascular Arterial Function” LINK

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

“Linear Calibration Methods” | LINK

“Performance evaluation of variable selection methods coupled with partial least squares regression to determine the target component in solid samples” LINK

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

Optics for Spectroscopy

“Fibers : The Mechanical Response of Epoxy-Sisal Composites Considering Fiber Anisotropy: A Computational and Experimental Study” LINK


“Precision Farming Using Image Processing and Machine Learning” LINK

“Do Racial Differences Exist in Mechanoreflex Sensitivity in Young Healthy Males?” LINK

Research on Spectroscopy

illicitdrug analysis cocaine MDMA Ketamine methamphetamine amphetamine GHB LINK

“Coatings : Stability of Polyethylene Glycol-Coated Copper Nanoparticles and Their Optical Properties” LINK

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

“Evaluation of Blend Uniformity and Terminal Point during Continuous Mixing in Water for Modified Double-Base Propellant Components Using a Near-Infrared Method” LINK

Equipment for Spectroscopy

“A feasibility study on the use of a pocket-sized NIR spectrometer and multivariate algorithm to distinguish expired drugs from unexpired ones” LINK

Environment NIR-Spectroscopy Application

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

Agriculture NIR-Spectroscopy Usage

“Remote Sensing : Cropping Patterns of Annual Crops: A Remote Sensing Review” LINK

“Analysis of Protein Denaturation, and Chemical Visualization, of Frozen Grass Carp Surimi Containing Soluble Soybean Polysaccharides” LINK

“Can soil spectroscopy contribute to soil organic carbon monitoring on agricultural soils?” LINK

Horticulture NIR-Spectroscopy Applications

“Spectrum classification of citrus tissues infected by fungi and multispectral image identification of early rotten oranges” LINK

Forestry and Wood Industry NIR Usage

“Collecting Wood Core Samples from Macassar Ebony (Diospyros celebica Bakh.) for Multi-Purpose Analysis using Pickering Punch” LINK

Food & Feed Industry NIR Usage

“Fluoride effect indicators in Phaseolus vulgaris seeds and seedlings” | LINK

“Applications of the Remote Sensing Technology to Detect and Monitor the Rust Disease in the Wheat-a Literature Review” LINK

“Applied Sciences : Meat 4.0: Principles and Applications of Industry 4.0 Technologies in the Meat Industry” LINK

Laboratory and NIR-Spectroscopy

“Optical properties of ‘Gala'(Malus pumila) apple pulp and their relationship with internal quality” LINK


“Photochromism of Coordination Compounds” LINK

“Structural and Optical Characterization of Mechanochemically Synthesized CuSbS2 Compounds” LINK

“การ ตรวจ สอบ โรค แอ น แทรก โน ส ใน มะม่วง พันธุ์ น้ำดอกไม้ สี ทอง ด้วย เนีย ร์ อินฟราเรด สเปก โทร ส โก ปี” LINK

“Growth and characterization of nonlinear optical crystal glycine sodium nitrate and its biological activity” | LINK


Spectroscopy and Chemometrics/Machine-Learning News Weekly #24, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 23, 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)

“Real-Time Defect Inspection of Green Coffee Beans Using NIR Snapshot Hyperspectral Imaging” LINK

“Country of origin label monitoring of musky and common octopuses (Eledone spp. and Octopus vulgaris) by means of a portable near-infrared spectroscopic device” LINK

“Fruit variability impacts puree quality: assessment on individually processed apples using the visible and near infrared spectroscopy” LINK

“Visible-NIR Spectral Characteristics and Grade Inversion Model of Skarn-type Iron Ore” LINK

“Digital Detection of Olive Oil Rancidity Levels and Aroma Profiles Using Near-Infrared Spectroscopy, a Low-Cost Electronic Nose and Machine Learning Modelling” LINK

“Qualitative classification of Dendrobium huoshanense (Feng dou) using fast non-destructive hand-held near infrared spectroscopy” LINK

“A stacked regression ensemble approach for the quantitative determination of biomass feedstock compositions using near infrared spectroscopy” LINK


“Near-Infrared Transflectance Spectroscopy Discriminates Solutions Containing Two Commercial Formulations of Botulinum Toxin Type A Diluted at Recommended …” LINK

“… of the column chromatographic process of Phellodendri Chinensis Cortex Part I: End-point determination based on near-infrared spectroscopy combined with machine …” | LINK

“NIR-Based Intelligent Sensing of Product Yield Stress for High-Value Bioresorbable Polymer Processing” LINK

“Measurement of water-holding capacity in fermented milk using near-infrared spectroscopy combined with chemometric methods” LINK

“Fighting Fake Medicines” by | fake medicines pills falsified medicines fakemedicines fakedrugs fakepills illicit drugs digitaltechnology NIRS LINK

“Quantitative assessment of wheat quality using near-infrared spectroscopy: A comprehensive review” | LINK

“Rapid detection of adulteration of glutinous rice as raw material of Shaoxing Huangjiu (Chinese Rice Wine) by near infrared spectroscopy combined with chemometrics” LINK

“On-site illicit-drug detection with an integrated near-infrared spectral sensor: A proof of concept” LINK

“Effects of degraded speech processing and binaural unmasking investigated using functional near-infrared spectroscopy (fNIRS)” | LINK

“Qualitative analysis of post-consumer and post-industrial waste via near-infrared, visual and induction identification with experimental sensor-based sorting setup” | LINK

“Blended fabric with integrated neural network based on attention mechanism qualitative identification method of near infrared spectroscopy” LINK

“Deep learning-based motion artifact removal in functional near-infrared spectroscopy” | LINK

“Rapid identification of the geographic origin of Taiping Houkui green tea using near-infrared spectroscopy combined with a variable selection method” LINK

“Rapid Nondestructive Detection Enabled by an UltraBroadband NIR pcLED” LINK

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

“Determination of Dangshan Pear Pollen Vitality Using Near-Infrared Spectroscopy” LINK

“Green tea grades identification via Fourier transform nearinfrared spectroscopy and weighted global fuzzy uncorrelated discriminant transform” LINK

“Physicochemical Properties and Detection of Glucose Syrup Adulterated Kelulut (Heterotrigona Itama) Honey Using Near‐Infrared Spectroscopy” LINK

“Reorganization of prefrontal network in stroke patients with dyskinesias: evidence from restingstate functional nearinfrared spectroscopy” LINK

“Oral lichen planus identification by mid-infrared spectroscopy of oral biofluids: a case-control study” LINK

Hyperspectral Imaging (HSI)

“Plant Species Classification Based on Hyperspectral Imaging via a Lightweight Convolutional Neural Network Model” | LINK

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

“Prediction of peanut seed vigor based on hyperspectral images” LINK

“Agriculture : Green Banana Maturity Classification and Quality Evaluation Using Hyperspectral Imaging” LINK

“Detecting aggressive papillary thyroid carcinoma using hyperspectral imaging and radiomic features” | LINK

Chemometrics and Machine Learning

“Modeling Method and Miniaturized Wavelength Strategy for Near-infrared Spectroscopic Discriminant Analysis of Soy Sauce Brand Identification” LINK

“Improvement of NIR Prediction Ability by Dual Model Optimization in Fusion of NSIA and SA Methods” LINK

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

“Foods : Rapid Detection of Carbendazim Residue in Apple Using Surface-Enhanced Raman Scattering and Coupled Chemometric Algorithm” LINK

“Biosensors : Benchmarking Spectroscopic Techniques Combined with Machine Learning to Study Oak Barrels for Wine Ageing” LINK

“Agronomy : Estimation of Winter Wheat Residue Coverage Based on GF-1 Imagery and Machine Learning Algorithm” LINK

“Construction and application of a qualitative and quantitative analysis system of three boscalid polymorphs based on solid-state analytical methods and chemometric tools” LINK

“Discrimination and source correspondence of black gel inks using Raman spectroscopy and chemometric analysis with UMAP and PLS-DA” LINK

Optics for Spectroscopy

“Recent Advances in Luminescent Downconversion: New Materials, Techniques, and Applications in Solar Cells” LINK


“Ordered structures in liquid water: Is cold water a genuine liquid?” LINK

Environment NIR-Spectroscopy Application

“Evaluation of Two Portable Hyperspectral-Sensor-Based Instruments to Predict Key Soil Properties in Canadian Soils” LINK

“Genetic dissection of seed characteristics in field pennycress via genome-wide association mapping studies” | LINK

“Remote Sensing : Retrieval of Chlorophyll-a Concentrations of Class II Water Bodies of Inland Lakes and Reservoirs Based on ZY1-02D Satellite Hyperspectral Data” LINK

“Boron Imidazolate FrameworkDerived Porous Carbon Nanospheres for DualMode BioimagingGuided Photothermal/Sonodynamic Synergistic Cancer Therapy” LINK

Agriculture NIR-Spectroscopy Usage

“Estimation of forage quality by near infrared reflectance spectroscopy in dallisgrass, Paspalum dilatatum, poir” LINK

“Performance of open-path lasers and Fourier transform infrared spectroscopic systems in agriculture emissions research” LINK

“Plants : Sucrose Synthase and Fructokinase Are Required for Proper Meristematic and Vascular Development” LINK

“Genetic variation for seed storage protein composition in rapeseed (Brassica napus) and development of nearinfrared reflectance spectroscopy calibration equations” LINK

“Synthesis, Characterization and Antibacterial Activity of Ag‐TiO2‐Fe Composite Thin Films” LINK

Horticulture NIR-Spectroscopy Applications

“Foods : Consensual Regression of Soluble Solids Content in Peach by Near Infrared Spectrocopy” LINK

Forestry and Wood Industry NIR Usage

“Molecules : Chemical Diversity and Potential Target Network of Woody Peony Flower Essential Oil from Eleven Representative Cultivars (Paeonia × suffruticosa Andr.)” LINK

Food & Feed Industry NIR Usage

“Discrimination of centre composition in panned chocolate goods using nearinfrared spectroscopy” LINK

“Response of N2O emissions to N fertilizer reduction combined with biochar application in a rain-fed winter wheat ecosystem” LINK

“Quantitative detection of talcum powder in wheat flour based on near-infrared spectroscopy and hybrid feature selection” LINK

“Foods : Characterization and Discrimination of Italian Olive (Olea europaea sativa) Cultivars by Production Area Using Different Analytical Methods Combined with Chemometric Analysis” LINK

Pharma Industry NIR Usage

“Detection of low numbers of bacterial cells in pharmaceutical drug product using Raman Spectroscopy and PLS-DA multivariate analysis” LINK


“On honey authentication and adulterant detection techniques” LINK

“Intensifying upconverted ultraviolet emission towards efficient reactive oxygen species generation” LINK

“Optical frequency comb Fourier transform cavity ring-down spectroscopy” LINK

“Novel Approaches and Cognitive Neuroscience Perspectives on False Memory and Deception” | LINK

“Investigation of structural and optical properties of lithium lead bismuth silicate glasses” | LINK


Spectroscopy and Chemometrics/Machine-Learning News Weekly #42, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics/Machine-Learning News Weekly 41, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensor QA QC Testing Quality LINK

Spektroskopie und Chemometrie/Machine-Learning Neuigkeiten Wöchentlich 41, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT sensors Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria/Machine-Learning Weekly News 41, 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)

“Development and Submission of Near Infrared Analytical Procedures Guidance for Industry” FDA LINK

“Identification prediction moisture content of Thai coconut sugar (Cocos nucifera L.) using FT-NIR spectroscopy” LINK

“Blood identification of NIR spectroscopy based on BP neural network combined with particle swarm optimization” LINK

“A preliminary study on the utilisation of near infrared spectroscopy to predict age and in vivo human metabolism” LINK

“Near-infrared guidance finalized for small molecule testing, with biologics to come” RAPS LINK

“Wavelength Selection Method for Near Infrared Spectroscopy Based on Iteratively Retains Informative Variables and Successive Projections Algorithm” LINK

“Near-infrared spectroscopy calibration strategies to predict multiple nutritional parameters of pasture species from different” LINK

” Comparison of metabolites and variety authentication of Amomum tsao-ko and Amomum paratsao-ko using GC-MS and NIR spectroscopy” LINK

“Hyperfine-Resolved Near-Infrared Spectra of H(2)(17)O” LINK

“Geographical Differentiation of Hom Mali Rice Cultivated in Different Regions of Thailand Using FTIR-ATR and NIR Spectroscopy” LINK

“Seasonal Snowpack Classification Based on Physical Properties Using Near-Infrared Proximal Hyperspectral Data” | LINK

“NIR-based sensing system for non-Invasive detection of Hemoglobin for point-of-care applications” LINK

“A promising inorganic YFeO3 pigments with high near-infrared reflectance and infrared emission” LINK

“Classification of Softwoods using Wood Extract Information and Near Infrared Spectroscopy.” LINK

“Rapid determination and origin identification of total polysaccharides contents in Schisandra chinensis by near-infrared spectroscopy” LINK

“Near-Infrared Spectroscopy Technology in Food” | LINK

“Postharvest ripeness assessment of ‘Hass’ avocado based on development of a new ripening index and Vis-NIR spectroscopy” LINK

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

“Utility of near‐infrared spectroscopy to detect the extent of lipid core plaque leading to periprocedural myocardial infarction” LINK

“Scaling up Sagebrush Chemistry with Near-Infrared Spectroscopy and Uas-Acquired Hyperspectral Imagery” LINK

Hyperspectral Imaging (HSI)

“Spatially Resolved Spectroscopic Characterization of Nanostructured Films by Hyperspectral Dark-Field Microscopy” LINK

“Visual attention-driven framework to incorporate spatial-spectral features for hyperspectral anomaly detection” LINK

Spectral Imaging

“Spectral Super-Resolution of Multispectral Images Using Spatial-Spectral Residual Attention Network” LINK

Chemometrics and Machine Learning

“Feasibility of a chromameter and chemometric techniques to discriminate pure and mixed organic and conventional red pepper powders: A pilot study” LINK

“Cyanobacteria cell prediction using interpretable deep learning model with observed, numerical, and sensing data assemblage” LINK

“Applied Sciences : A Novel Principal Component Analysis Integrating Long Short-Term Memory Network and Its Application in Productivity Prediction of Cutter Suction Dredgers” LINK

“Plants : Morpho-Physiological Classification of Italian Tomato Cultivars (Solanum lycopersicum L.) According to Drought Tolerance during Vegetative and Reproductive Growth” LINK

“Automatic food and beverage authentication and adulteration detection by classification hybrid fusion” LINK

“Remote Sensing : Improving Accuracy of Herbage Yield Predictions in Perennial Ryegrass with UAV-Based Structural and Spectral Data Fusion and Machine Learning” LINK

“Estimating Fat Components of Potato Chips Using Visible and Near-Infrared Spectroscopy and a Compositional Calibration Model” LINK

“Wavelengths selection based on genetic algorithm (GA) and successive projections algorithms (SPA) combine with PLS regression for determination the soluble …” LINK

“Comparison of PLS and SVM models for soil organic matter and particle size using vis-NIR spectral libraries” LINK

“Verified the rapid evaluation of the edible safety of wild porcini mushrooms, using deep learning and PLS‐DA” LINK

Optics for Spectroscopy

“Scientists Teach AI Cameras to See Depth in Photos Better” AI Camera Depth LINK


“Deep learning accelerates super-resolution microscopy by up to ten times” | DeepLearning microscopy LINK

“Statistical Learning to Operationalize a Domain Agnostic Data Quality Scoring. (arXiv:2108.08905v1 [cs.LG])” LINK

Research on Spectroscopy

“Foods : Instrumentation for Routine Analysis of Acrylamide in French Fries: Assessing Limitations for Adoption” LINK

Process Control and NIR Sensors

“NIR spectroscopy for monitoring of the critical manufacturing steps and quality attributes of paliperidone prolonged release tablets” LINK

Environment NIR-Spectroscopy Application

“Spatial Differentiation Analysis of Water Quality in Dianchi Lake Based on GF-5 NDVI Characteristic Optimization” LINK

“Remote Sensing : Using Sentinel-2 for Simplifying Soil Sampling and Mapping: Two Case Studies in Umbria, Italy” LINK

“Sensors : Ground-Based Hyperspectral Remote Sensing for Estimating Water Stress in Tomato Growth in Sandy Loam and Silty Loam Soils” LINK

“Potential of high-spectral resolution for field phenotyping in plant breeding: Application to maize under water stress” LINK

Agriculture NIR-Spectroscopy Usage

“Study the Genetic Diversity in Protein, Zinc and Iron in Germplasm Pools of Desi Type Chickpeas as Implicated in Quality Breeding” LINK

“Additives and soy detection in powder rice beverage by vibrational spectroscopy as an alternative method for quality and safety control” LINK

“Remote Sensing : Generating Up-to-Date Crop Maps Optimized for Sentinel-2 Imagery in Israel” LINK

“Fodder biomass, nutritive value, and grain yield of dual‐purpose Pearl Millet, Sorghum and Maize cultivars across different agro‐ecologies in Burkina Faso” LINK

“Agronomy : Effects of the Foliar Application of Potassium Fertilizer on the Grain Protein and Dough Quality of Wheat” LINK

“Remote Sensing : Sentinel-2 and Landsat-8 Multi-Temporal Series to Estimate Topsoil Properties on Croplands” LINK

“Sensors : Assessment of Grain Harvest Moisture Content Using Machine Learning on Smartphone Images for Optimal Harvest Timing” LINK

“Using UAV image data to monitor the effects of different nitrogen application rates on tea quality” LINK

“A single calibration of near-infrared spectroscopy to determine the quality of forage for multiple species” LINK

Forestry and Wood Industry NIR Usage

“Teakwood Chemistry and Natural Durability” LINK

Food & Feed Industry NIR Usage

“Foods : Temporal Sensory Perceptions of Sugar-Reduced 3D Printed Chocolates” LINK

“Foods : Rapid Nondestructive Simultaneous Detection for Physicochemical Properties of Different Types of Sheep Meat Cut Using Portable Vis/NIR Reflectance Spectroscopy System” LINK

“Foods : Real-Time Gauging of the Gelling Maturity of Duck Eggs Pickled in Strong Alkaline Solutions” LINK

Chemical Industry NIR Usage

“Polymers : Drug Amorphous Solid Dispersions Based on Poly(vinyl Alcohol): Evaluating the Effect of Poly(propylene Succinate) as Plasticizer” LINK

Pharma Industry NIR Usage

” Effects of acetazolamide and furosemide on ventilation and cerebral blood volume in normocapnic and hypercapnic COPD patients” LINK


“Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase” LINK

“Calidad composicional y sensorial de la carne bovina y su determinación mediante infrarrojo cercano” LINK

“Bioinspired StimuliResponsive Hydrogel with Reversible Switching and Fluorescence Behavior Served as LightControlled Soft Actuators” LINK

“Neural Efficiency in Athletes: A Systematic Review” LINK

“Tailored Chiral Copper Selenide Nanochannels for Ultrasensitive Enantioselective Recognition and Detection” LINK

“In vivo diffuse reflectance spectroscopic analysis of fatty liver with inflammation in mice” LINK

“Métodos de análise da composição química e valor nutricional de alimentos para ruminantes” LINK

“Dissociation between exercise intensity thresholds: mechanistic insights from supine exercise” LINK

Spectroscopy and Chemometrics News Weekly #13, 2021

NIR Calibration-Model Services

NIRS Analytical Laboratory Method Development : Reduce Workload and Response Time | MethodDevelopment modeling LINK

Spectroscopy and Chemometrics News Weekly 12, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Application Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Service Software 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)

“Differentiation between Fresh and Thawed Cephalopods Using NIR Spectroscopy and Multivariate Data Analysis. Foods 2021, 10, 528” LINK

“Ethanol-soluble carbohydrates of cool-season grasses: prediction of concentration by near-infrared reflectance spectroscopy (NIRS) and evaluation of effects of …” LINK

“An Evaluation of Different NIR-Spectral Pre-Treatments to Derive the Soil Parameters C and N of a Humus-Clay-Rich Soil” LINK

“Prediction of Physicochemical Properties in Honeys with Portable Near-Infrared (microNIR) Spectroscopy Combined with Multivariate Data Processing” LINK

“Comparison between single and mixed-species NIRS databases’ accuracy of dairy fiber feed value detection” LINK

“Using autoencoders to compress soil VNIR–SWIR spectra for more robust prediction of soil properties” LINK

“Prediction of some quality properties of rice and its flour by near-infrared spectroscopy (NIRS) analysis.” ricequality Amylose viscosity LINK

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

“Nitrogen Management Based on Visible/Near Infrared Spectroscopy in Pear Orchards” Remote Sensing LINK

“Applications of near infrared spectroscopy for fish and fish products quality: a review” LINK

“Near Infrared Spectroscopy as a PAT Tool for Monitoring and Control of Protein and Excipient Concentration in Ultrafiltration of Highly Concentrated Antibody Formulations” LINK

“Determination of soluble solid content in market tomatoes using Near-infrared Spectroscopy” LINK

“Discriminating Coalho cheese by origin through near and middle infrared spectroscopy and analytical measures” LINK

“Current and future research directions in computer-aided near-infrared spectroscopy: A perspective” LINK

“Estimation of the Relative Abundance of Quartz to Clay Minerals Using the Visible–Near-Infrared–Shortwave- Infrared Spectral Region” LINK

“Estimating the Lactate Threshold Using Wireless Near-Infrared Spectroscopy and Threshold Detection Analyses” LINK

“Smart SelfAssembly Amphiphilic CyclopeptideDye for NearInfrared WindowII Imaging” LINK

“Application of Long-Wave Near Infrared Hyperspectral Imaging for Determination of Moisture Content of Single Maize Seed” LINK

“Near Infrared Spectroscopy as a PAT Tool for Monitoring and Control of Protein and Excipient Concentration in Ultrafiltration of Highly Concentrated Antibody …” LINK

” Achieving the potential multifunctional near-infrared materials Ca 3 In 2− x Ga x Ge 3 O 12: Cr 3+ using a solid state method” LINK

“ATR-FTIR Microspectroscopy Brings a Novel Insight Into the Study of Cell Wall Chemistry at the Cellular Level” LINK

“Development and performance tests of an on-the-go detector of soil total nitrogen concentration based on near-infrared spectroscopy” LINK

“Mid-Infrared Scattering in -Al2O3 Catalytic Powders” LINK

“Rapid tannin profiling of tree fodders using untargeted mid-infrared spectroscopy and partial least squares regression” LINK

“Intelligent evaluation of taste constituents and polyphenols-to-amino acids ratio in matcha tea powder using near infrared spectroscopy” LINK

Raman Spectroscopy

“In vivo diagnosis of skin cancer with a portable Raman spectroscopic device” LINK

Hyperspectral Imaging (HSI)

” A chemometric view of hyperspectral images” LINK

Chemometrics and Machine Learning

” A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in …” LINK

“Soil exchangeable cations estimation using Vis-NIR spectroscopy in different depths: Effects of multiple calibration models and spiking” LINK

“Prediction of Tea Theanine Content using Near-Infrared Spectroscopy and Flower Pollination Algorithm” LINK

“Predicting Oil Content In Ripe Macaw Fruits (Acrocomia Aculeata) From Unripe Ones By Near Infrared Spectroscopy And Pls Regression” LINK

“A Model Based on Clusters of Similar Color and NIR to Estimate Oil Content of Single Olives” LINK

“Quick Determination and Discrimination of Commercial Hand Sanitisers Using Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy and Chemometrics” LINK

“A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in mango fruit” LINK

“Comparative study between Partial Least Squares and Rational function Ridge Regression models for the prediction of moisture content of woodchip samples using a handheld spectrophotometer” LINK

“Classification of Lingwu long jujube internal bruise over time based on visible near-infrared hyperspectral imaging combined with partial least squares-discriminant …” LINK

“Nondestructive qualitative and quantitative analysis of Yaobitong capsule using near-infrared spectroscopy in tandem with chemometrics” LINK

“Near infrared reflectance spectroscopy: classification and rapid prediction of patchouli oil content” LINK

“Chemometric classification of geothermal and non-geothermal ethanol leaf extract of seurapoh (Chromolaena odorata Linn) using infrared spectroscopy” LINK

Process Control and NIR Sensors

“In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review” LINK

Environment NIR-Spectroscopy Application

“Remote Sensing, Vol. 13, Pages 1105: Water Conservation Estimation Based on Time Series NDVI in the Yellow River Basin” LINK

“A novel framework to estimate soil mineralogy using soil spectroscopy” LINK

Agriculture NIR-Spectroscopy Usage

“Pentosan polysulfate maculopathy: Prevalence, spectrum of disease, and choroidal imaging analysis based on prospective screening: Pentosan maculopathy: disease spectrum & choroidal analysis” LINK

“An Alternative Approach to Evaluate the Quality of Protein-Based Raw Materials for Dry Pet Food. Animals 2021, 11, 458” LINK

“The use of NIR sensor technology for soil test-based decision making in agriculture” LINK

“Estimation of Starch Hydrolysis in Sweet Potato (Beni haruka) Based on Storage Period Using Nondestructive Near-Infrared Spectrometry. Agriculture 2021, 11, 135” LINK

“Handheld vs. Benchtop NearInfrared Spectrometers – How Do They Compare for Analyzing Forage Nutritive Value?” LINK

“Foods, Vol. 10, Pages 612: Preliminary Insights in Sensory Profile of Sweet Cherries” LINK

“Comparing CalReg performance with other multivariate methods for estimating selected soil properties from Moroccan agricultural regions using NIR spectroscopy” LINK

“Potential of Multivariate Statistical Technique Based on the Effective Spectra Bands to Estimate the Plant Water Content of Wheat Under Different Irrigation Regimes” LINK

“Agriculture, Vol. 11, Pages 239: In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review” LINK

“Foods, Vol. 10, Pages 496: Fatty Acid Composition from Olive Oils of Portuguese Centenarian Trees Is Highly Dependent on Olive Cultivar and Crop Year” LINK

“Automated in-field leaf-level hyperspectral imaging of corn plants using a Cartesian robotic platform” LINK

“A novel compact intrinsic safety full range Methane microprobe sensor using “trans-world” processing method based on near- infrared spectroscopy” LINK

“Organic carbon in agricultural and agroforestry soils: Effect of different management practices” LINK

“Machine Learning-Based Approach to Predict Insect-Herbivory-Damage and Insect-Type Attack in Maize Plants Using Hyperspectral Data” LINK

” Spectral reflectance of marine macroplastics in the VNIR and SWIR measured in a controlled environment” LINK

Forestry and Wood Industry NIR Usage

“Chemometric development using portable molecular vibrational spectrometers for rapid evaluation of AVC (Valsa mali Miyabe et Yamada) infection of apple trees” LINK

Food & Feed Industry NIR Usage

“Quantitative Analysis of Colony Number in Mouldy Wheat based on Near Infrared Spectroscopy combined with Colorimetric Sensor” LINK

Pharma Industry NIR Usage

” Integration of transcriptomes analysis with spectral signature of total RNA for generation of affordable remote sensing of Hepatocellular carcinoma in serum …” LINK

Laboratory and NIR-Spectroscopy

” Prediction of meat quality traits in the abattoir using portable near-infrared spectrometers: heritability of predicted traits and genetic correlations with laboratory …” LINK


“Ultrasonic-assisted catalytic transfer hydrogenation for upgrading pyrolysis-oil” LINK

“Quantitation of volatile aldehydes using chemoselective response dyes combined with multivariable data analysis” LINK

“Evaluation and optimization on the reflection and durability of reflective coatings for cool pavement” LINK

“Polyvinyl chloride: chemical modification and investigation of structural and thermal properties” LINK


Digitization in the field of NIR spectroscopy (smart sensors)

Digitalization is advancing, also in NIR spectroscopy, which enables trainable miniature smart sensors e.g. for analyses in the food&feed, chemical and pharmaceutical sectors.

The calibration is the core of a NIR spectroscopy sensor, it enables the numerous applications and should therefore not be the weakest link in the measurement chain.

The development of calibrations that turn NIR spectrometers into smart sensors is done manually by experts (NIR specialist, chemometrician, data scientist) with so-called chemometrics software.

This is very time-consuming (time to market) and the result is person-dependent and thus suboptimal, because each expert has his own preferred way of proceeding. In addition, the calibrations have to be maintained, as new data has been collected in the meantime, which can be used to extend and improve the calibrations.

This is where our automated service comes in, combining the knowledge and good practices of NIR spectroscopy and chemometrics collected in one software and using machine learning to generate optimal calibrations.

Based on this, we have developed a complete technology platform (Time to Market) that covers the entire process from sending NIR + Lab data, to NIR Calibration as a Service, from online purchase of calibrations, to NIR Predictor software that directly evaluates newly measured NIR data locally and generates result reports.

Besides the free desktop version with user interface, the NIR Predictor can also be integrated (OEM). This can be integrated in parallel as a complement to your current Predictor, allowing the user to choose how they want to calibrate. And give them the advantage in NIR feasibility studies and NIR spectrometer evaluations to quickly provide the customer with a solid and accurate calibration that will make their NIR system deliver better results.

Advantages for your NIR users (internal or external)
  • no initial costs (no chemometrics software license required),
  • calculable operating costs (fixed amount instead of time and hourly rate) (calibration development, calibration maintenance)
  • easy to use (no chemometrics and software training),
  • quicker to use (no calibration development work) and
  • better calibrations (precision, accuracy, robustness, …)

Our chargeable service is based on the calibration development and the annual calibration use. Calibration development and calibration use can also be carried out separately (manufacturer / user).

For you as a spectrometer manufacturer, this means that you can deliver your system pre-calibrated for certain applications without incurring software license costs. And without your application specialists having to provide additional calibration services.

The unique advantages of our calibration service together with the free NIR Predictor are:
  • no software license costs (chemometrics software, predictor software, OEM integration)
  • no chemometrics know-how necessary
  • no time needed to develop optimal NIR calibrations.

If interested in using/evaluating the service :

About CalibrationModel.com : Time and knowledge intensive creation and optimization of chemometric evaluation methods for spectrometers as a service to enable more accurate analysis and measurement results.

see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper

NIR Analysis in Laboratory and Laboratories – aka NIR Labs and NIR testing

Do you have a NIR spectrometer in your Lab?

How many other analytics you do in the Lab could be done faster and cheaper with NIR?

Is this possible and precise enough?

Try, we have the solution for you!
You have the NIR, scan the samples, you have the lab values and the spectra, we calibrate for you!

To see if the application is possible and how precise it can be due to knowledge based intensive model optimizations.

We do the NIR feasibility study with data for you. Fixed prices

NIR has huge application potentials and it’s a Green analytical method, that’s fast and easy to use. And has today the possibility to scale out with inexpensive mobile NIR spectrometers.

Bring the Lab to the sample. To avoid sample transport and get immediate results for decision at the place or in the process.

Just try the NIR application, use the NIR daily, collect data in parallel, we develop, optimize and maintain the calibration models for you.

How do you think?

Start Calibrate

What is possible today with NIR?
The number of different Applications exploded in the last 2-3 years!
See NIR research papers news daily on @CalibModel or the 7-day summariesNIR News Weekly” here.

Spectroscopy and Chemometrics News Weekly #28, 2020

NIR Calibration-Model Services

Services for professional Development of Near-Infra-Red Spectroscopy Calibration Methods | NIRS Lab testing method food LINK

Spectroscopy and Chemometrics News Weekly 27, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Analytical Chemistry ag Food Dairy Analysis Lab Labs Laboratories Laboratory IoT Sensors QA QC material testing quality safety LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 27, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 27, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)


“How well can near infrared reflectance spectroscopy (NIRS) measure sediment organic matter in multiple lakes?” LINK

“Assessment of Embryonic Bioactivity through Changes in the Water Structure Using Near-Infrared Spectroscopy and Imaging” LINK

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

“Applied Sciences, Vol. 10, Pages 3722: FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in Cucurbita Spp.” LINK

“At-line Prediction of Gelatinized Starch and Fiber Fractions in Extruded Dry Dog Food Using Different Near-Infrared Spectroscopy Technologies” LINK

“Near-infrared Prediction of Edible Oil Frying Times Based on Bayesian Ridge Regression” LINK

“Estimating wood moisture by near infrared spectroscopy: Testing acquisition methods and wood surfaces qualities” LINK

Chemometrics and Machine Learning

“Determination of Loline Alkaloids and Mycelial Biomass in Endophyte-Infected Schedonorus Pratensis by Near-Infrared Spectroscopy and Chemometrics” LINK

“Quantification of extra virgin olive oil adulteration using smartphone videos.” LINK

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

“A comparison of chemometrics classification tools for identification of perirenal fat in lambs.” LINK

“Simultaneous Quantitative Analysis of K + and Tl + in Serum and Drinking Water Based on UV-Vis Spectra and Chemometrics” LINK

“Combination of spectra and texture data of hyperspectral imaging for prediction and visualization of palmitic acid and oleic acid contents in lamb meat” LINK

“NIR hyperspectral imaging coupled with chemometrics for nondestructive assessment of phosphorus and potassium contents in tea leaves” LINK

“Non-destructive genotypes classification and oil content prediction using near-infrared spectroscopy and chemometric tools in soybean breeding program” LINK

“Predicting milk mid-infrared spectra from first-parity Holstein cows using a test-day mixed model with the perspective of herd management” LINK

Research on Spectroscopy

“An efficient method to quantitatively detect competitive adsorption of DNA on single-walled carbon nanotube surfaces” LINK

Equipment for Spectroscopy

“Determination of Ethanol in Alcoholic Drinks: Flow Injection Analysis with Amperometric Detection Versus Portable Raman Spectrometer” LINK

“Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer Under ModulatedPulsed Light Source Excitation” LINK

“Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers” LINK

Agriculture NIR-Spectroscopy Usage

“Fermentation, Vol. 6, Pages 56: Beer Aroma and Quality Traits Assessment Using Artificial Intelligence” LINK

“Optimization of modeling conditions for near infrared measurement of protein content in milk by orthogonal array design.” LINK

“Soil organic matter in various land uses and management, and its accuracy measurement using near infrared technology” LINK

“Lettuce plant health assessment using UAV-based hyperspectral sensor and proximal sensors” LINK

“Effects of planting density on nutritive value, dry matter yield, and predicted milk yield of dairy cows from 2 brown midrib forage sorghum hybrids” LINK

Horticulture NIR-Spectroscopy Applications

“Non-Destructive Detection of Strawberry Quality Using Multi-Features of Hyperspectral Imaging and Multivariate Methods” LINK

“A simple and nondestructive approach for the analysis of soluble solid content in citrus by using portable visible to near-infrared spectroscopy.” LINK

Food & Feed Industry NIR Usage

“Hyperspectral monitor on chlorophyll density in winter wheat (Triticum aestivum L.) under water stress” LINK

“Assessment of Biochemical and Seed Quality Traits in Hulless Barley Germplasm” LINK

Beverage and Drink Industry NIR Usage

“Online determination of coffee roast degree toward controlling acidity” LINK


“Improvement on curing performance and morphology of E5I/TPGDA mixture in a free radical-cationic hybrid photopolymerization system” LINK

“Color analysis and detection of Fe minerals in multi-mineral mixtures from acid-alteration environments” LINK

“Growth and maturity of Longnose Skates (Raja rhina) along the North American West Coast” LINK


Professional NIR-Spectroscopy Chemometric Data Science as a Service

CalibrationModel.com is a Professional Development of
NIR-Spectroscopic Chemometric Calibration Models as a Service.

  • With CalibrationModel.com service, NIR-models can be developed without Chemometric Software.

  • It works for nearly all desktop and mobile NIR Spectrometers.

  • The included free NIR-Predictor software allows to create instantly analysis result reports with multiple NIR-models at once without an internet connection.

  • By sending the NIR and Lab data, quantitative models are developed and optimized to be downloaded in licensed or perpetual-unlimited versions.

  • The complete calibration settings that includes the intellectual property is also available.

  • The Trial Calibration is an individually tailored ready-to-use NIR calibration file that matches your data and product with 7 days evaluation possibility (try before you buy).

    Start Trial Calibration

    NIR Calibration Model Service explained