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

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 37, 2022 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Near-Infrared Spectroscopy (NIRS)

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

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

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

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

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

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

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

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

Raman Spectroscopy

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

Hyperspectral Imaging (HSI)

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

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

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

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

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

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

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

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

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

Spectral Imaging

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

Chemometrics and Machine Learning

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

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

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

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

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

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

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

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

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

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

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

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

Process Control and NIR Sensors

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

Agriculture NIR-Spectroscopy Usage

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

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

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

Food & Feed Industry NIR Usage

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

Pharma Industry NIR Usage

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


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

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

“20 Antiaromatic Isophlorins without Metallation or Core Modification” LINK

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

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

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

Spectroscopy and Chemometrics/Machine-Learning News Weekly #15, 2022

NIR Calibration-Model Services


Professionelle chemometrische NIR-Methodenentwicklung | Chemometrie Spektroskopie Analytik Qualitätskontrolle NIT LINK

Save time & money by replacing labor intensive manual & adhoc NIR data analysis processes | analysis measurement lab LINK

Spectroscopy and Chemometrics News Weekly 14, 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 14, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 14, 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)

“Abstract TP65: Evaluation Of Leg Microvascular Function In Chronic Stroke Survivors Using Near Infrared Spectroscopy And The Vascular Occlusion Technique.” LINK

“Remote Sensing : Using Ensemble-Based Systems with Near-Infrared Hyperspectral Data to Estimate Seasonal Snowpack Density” LINK

“Ultra-Broadband and High Efficiency Near-Infrared Gd3ZnxGa5-2xGexO12: Cr3+ (x= 0-2.0) Garnet Phosphors via Crystal Field Engineering” LINK

“Analysis of initiator content of prepreg by near-infrared spectroscopy” | LINK

“Rapid Determination of Pachymic Acid Content by Near-Infrared Spectroscopy” | LINK

“Novel automatic model construction method for the rapid characterization of petroleum properties from near-infrared spectroscopy” LINK

“Rapid discrimination of Turkish commercial hazelnut (Corylus avellana L.) varieties using Near-Infrared Spectroscopy and chemometrics” LINK

“fNIRS brain measures of ongoing nociception during surgical incisions under anesthesia” | LINK

“An unexpected reduction in the value of near-infrared spectroscopy in a child with moyamoya disease” LINK

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

“Electrochromism of Nanographenes in the NearInfrared Region” LINK

Hyperspectral Imaging (HSI)

“Monitoring of Moisture Contents and Rehydration Rates of Microwave Vacuum and Hot Air Dehydrated Beef Slices and Splits Using Hyperspectral Imaging” LINK

“Rapid and nondestructive detection of marine fishmeal adulteration by hyperspectral imaging and machine learning” LINK

“Real-time monitoring the color changes of large yellow croaker (Larimichthys crocea) fillets based on hyperspectral imaging empowered with artificial intelligence” LINK

“Prediction of total carotenoids, color and moisture content of carrot slices during hot air drying using non‐invasive hyperspectral imaging technique” LINK

“The development of on-line surface defect detection system for jujubes based on hyperspectral images” LINK

“Spatio-Temporal Patterns of Aspergillus Flavus Infection and Aflatoxin B1 Biosynthesis on Maize Kernels Probed by SWIR Hyperspectral Imaging and Synchrotron …” LINK

“A back‐propagation neural network model using hyperspectral imaging applied to variety nondestructive detection of cereal” LINK

“An Attention Involved Network Stacked by Dual-channel Residual Block for Hyperspectral Image Classification” LINK

“Determination of total flavonoid and polysaccharide content in Anoectochilus formosanus in response to different light qualities using hyperspectral imaging” LINK

Chemometrics and Machine Learning

“Non-Destructive Genotyping of Cultivars and Strains of Sesame through NIR Spectroscopy and Chemometrics” LINK

“Multivariate assessment for predicting antioxidant activity from clove and pomegranate extracts by MCR-ALS and PLS models combined to IR spectroscopy” LINK

“Sensors : Prediction of Neonatal Respiratory Distress Biomarker Concentration by Application of Machine Learning to Mid-Infrared Spectra” LINK

“Identification of Forsythia suspensa (Thunb.) Vahl in different harvest periods using intelligent sensory technologies, HPLC characteristic fingerprint coupled with chemometrics” LINK

“Corn Seed Defect Detection Based on Watershed Algorithm and Two-Pathway Convolutional Neural Networks” | LINK

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

“Diffuse Reflection Infrared Fourier Transform Spectroscopy and Partial Least Squares Regression Analysis for Temperature Prediction of Irreversible Thermochromic Paints” LINK

“Rapid detection of fumonisin B(1) and B(2) in ground corn samples using smartphone-controlled portable near-infrared spectrometry and chemometrics” LINK

“Two-Dimensional Correlation Spectroscopy Combined with Deep Learning to Identify the Proximate Geographical Origin of Wolfberries and Optimization from Fusion …” LINK

Optics for Spectroscopy

“Nanomaterials : Long-Term Fluorescence Behavior of CdSe/ZnS Quantum Dots on Various Planar Chromatographic Stationary Phases” LINK

“Polymers : Detection of Organosulfur and Organophosphorus Compounds Using a Hexafluorobutyl Acrylate-Coated Tapered Optical Fibers” LINK


“Identification of coumarinbased food additives using terahertz spectroscopy combined with manifold learning and improved support vector machine” LINK

Research on Spectroscopy

“Studying sand component of soil texture using the spectroscopic method” LINK

Process Control and NIR Sensors

“Remote Sensing : Combining Spectral and Textural Information from UAV RGB Images for Leaf Area Index Monitoring in Kiwifruit Orchard” LINK

“A Perfect Pair: Stabilized Black Phosphorous Nanosheets Engineering with Antimicrobial Peptides for Robust MultiDrug Resistant Bacteria Eradication” | LINK

Environment NIR-Spectroscopy Application

“Strategies of efficient estimation of soil organic content at the local scale based on a national spectral database” LINK

“Remote Sensing : A Novel Spectral Index for Automatic Canola Mapping by Using Sentinel-2 Imagery” LINK

“Joint control by soil moisture, functional genes and substrates on response of N2O flux to climate extremes in a semiarid grassland” LINK

“Remote Sensing : The Brazilian Soil Spectral Service (BraSpecS): A User-Friendly System for Global Soil Spectra Communication” LINK

“Remote Sensing : Using LiDAR System as a Data Source for Agricultural Land Boundaries” LINK

Agriculture NIR-Spectroscopy Usage

“Using Unmanned Aerial Vehicle-Based Multispectral Image Data to Monitor the Growth of Intercropping Crops in Tea Plantation” | LINK

Fully Automated Hydroponics Farm. farm hydroponics tech DigitalTransformation innovation Robotics robots agriculture LINK

“Foods : Comprehensive Study of Traditional Plant Ground Ivy (Glechoma hederacea L.) Grown in Croatia in Terms of Nutritional and Bioactive Composition” LINK

“Prediction of fumonisins B1 and B2 in corn distiller’s dried grains with solubles through near infrared reflectance spectroscopy” LINK

“Energies : Logarithmic Mean Divisia Index Decomposition Based on Kaya Identity of GHG Emissions from Agricultural Sector in Baltic States” LINK

“Optical imaging spectroscopy for rapid, primary screening of SARS-CoV-2: a proof of concept” LINK

“Optical Spectrometry to Determine Nutrient Concentrations and other Physicochemical Parameters in Liquid Organic Manures: A Review” LINK

“Applied Sciences : Crop Classification for Agricultural Applications in Hyperspectral Remote Sensing Images” LINK

“A new salt-inclusion compound,| Ag4Br|@[B7O12], with a novel type of the porous double-layered borate anion and strong anharmonicity of the “guest” sublattice” LINK

Horticulture NIR-Spectroscopy Applications

“Accurate nondestructive prediction of soluble solids content in citrus by near‐infrared diffuse reflectance spectroscopy with characteristic variable selection” LINK

Food & Feed Industry NIR Usage

“Foods : Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach” LINK

“Effects of Irrigation Strategy and Plastic Film Mulching on Soil N2O Emissions and Fruit Yields of Greenhouse Tomato” LINK

Pharma Industry NIR Usage

“The utility of cerebral autoregulation indices in detecting severe brain injury varies by cooling treatment phase in neonates with hypoxic-ischemic encephalopathy” LINK

Medicinal Spectroscopy

“The application of Raman spectroscopy and chemometric methods for analysis healthy blood and blood with BRCA mutation” LINK


“Regional pulmonary oxygen saturations immediately after birth” LINK

“Near-IR study of the impact of alkyl-ammonium and-phosphonium cations on the hydration of montmorillonite” LINK

The only known photo of Schrodinger’s cat. LINK

“Radical Anions and Dianions of Naphthalenediimides Generated within Layer-by-Layer Zirconium Phosphonate Thin Films” LINK

“Genetic variation among pumpkin landraces based on seed qualities and molecular markers” | LINK

“The Spectral Mixture Residual: A Source of LowVariance Information to Enhance the Explainability and Accuracy of Surface Biology and Geology Retrievals” LINK

What is a NIR spectroscopy calibration service and for which users is it suitable? In a nutshell (TL;DR)

We provide NIR spectroscopy prediction model development and optimization as a service and provide the prediction engine as a software library for integration and also our free NIR-Predictor desktop software that supports many spectral data formats for any NIR instrument sensor. Simply drag and drop spectra files into NIR-Predictor to get analysis results report.

The Problems:

  • How do you build models?
  • How many manual time consuming steps are necessary in complicated expensive software (expensive to buy, develop, use, update)?
  • How long does model development and optimization take?
  • Do you need an expert for doing so?
  • Do you have two or more experts to compare their modeling results?
  • Are your experts overworked?
  • What’s your time to market?
  • And can your models compete in prediction performance with models built on high resolution full range spectrometers data?
  • Can your models be more accurate? E.g. Optimized Calibration for Mango DM

The Solution:

We can build best performing models for you also with small data, like 60 – 100 spectra or big data. You send NIR and Lab data as a single Calibration Request (Video link below) and we return the optimized ready to use model files and delete your sent data after processing. We do not sell and not reuse our customers data and spectral libraries.

Price : Comparision

Calibration Request : Video (2 minutes)

Learn : more

Start Calibrate