Spectroscopy and Chemometrics, Machine-Learning News Weekly #32, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 31, 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)

“NIRS Prediction of SOM, TN and TP in a Meadow in the Sanjiang Plain, China” LINK

ICYMI: This non-invasive glucose monitor, designed by Egyptian students, uses near-infrared spectroscopy to measure blood sugar levels LINK

“Feasibility of near infrared spectroscopy for estimating suppressiveness of carnation (Dianthus cariophyllus L.) fusarium wilt in different plant growth media” LINK

“The assessment of reflectance ratios for determination of water content in leaves using shorter end of near-infrared spectroscopy” LINK

“Rapid identification of the storage duration and species of sliced boletes using near-infrared spectroscopy” | LINK

“Sensor Fusion and Interpretation of Chemical Information in the Performance Profiles of Miniaturized NIR Sensors in Food Analytical Framework” LINK

“A rapid and effective method for species identification of edible boletes: FT-NIR spectroscopy combined with ResNet” LINK

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

“Screening method for the rapid detection of diethylene glycol in beer based on chemometrics and portable near-infrared spectroscopy” LINK

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

“Study on robust model construction method of multi-batch fruit online sorting by near-infrared spectroscopy” LINK

“Feasibility study on early identification of freshness decay of freshcut kiwifruit during cold chain storage by Fourier transformnear infrared spectroscopy combined with chemometrics” LINK

“A novel handheld FT-NIR spectroscopic approach for real-time screening of major cannabinoids content in hemp” LINK

“Rapid detection of talc content in flour based on near-infrared spectroscopy combined with feature wavelength selection” LINK

“Inversion of soil properties in rare earth mining areas (southern Jiangxi, China) based on visible-near-infrared spectroscopy” | 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 feasibility study on nondestructive classification of frozen Atlantic salmon (Salmo salar) fillets based on temperature history at the logistics using NIR spectroscopy” LINK

“A NIRS Based Device for Identification of Acute Ischemic Stroke by Using a Novel Organic Dye in the Human Blood Serum” LINK

“Normal spontan vaginal doğum ile doğan term bebeklerde geç göbek klemplenmesinin böbrek fonksiyonları ve perfüzyonu üzerine etkisinin near infrared …” LINK

“Potential of visible and near infrared spectroscopy coupled with machine learning for predicting soil metal concentrations at the regional scale” LINK

” Can Intraoperative Near-Infrared Spectroscopy Monitoring a Reliable Monitoring Method in Preventing Neurocognitive Dysfunction in Cardiac Surgery …” LINK




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

“Rapid identification of the storage duration and species of sliced boletes using nearinfrared spectroscopy” LINK

“Towards fullspectrum photocatalysis: extending to the near infrared region” LINK

“Antimicrobial evaluation of the Cynara cardunculus extract in Helicobacter pylori cells using midinfrared spectroscopy and chemometric methods” LINK

“Spectral variable selection for estimation of soil organic carbon content using mid-infrared spectroscopy” LINK

“Infrared spectroscopy and chemometric applications for the qualitative and quantitastive investigation of grapevine organs.” LINK




Hyperspectral Imaging (HSI)

“Assessing Grapevine Biophysical Parameters From Unmanned Aerial Vehicles Hyperspectral Imagery” | LINK

“Simultaneous High-Throughput Monitoring of Urethane Reactions Using Near-Infrared Hyperspectral Imaging” LINK

“GRAIN STARCH ESTIMATION USING HYPERSPECTRAL DATA AND ITS RELATIONSHIP WITH LEAF WATER CONTENTS FOR BROOMCORN MILLETLINK

“Non-destructive assessment of equivalent umami concentrations in salmon using hyperspectral imaging technology combined with multivariate algorithms” LINK




Spectral Imaging

“Remote Sensing : Prediction of the Nitrogen, Phosphorus and Potassium Contents in Grape Leaves at Different Growth Stages Based on UAV Multispectral Remote Sensing” LINK

“Open-source mobile multispectral imaging system and its applications in biological sample sensing” LINK




Terahertz Spectroscopy

“Detection of Adulteration of Panax Notoginseng Powder by Terahertz Technology” | LINK




Chemometrics and Machine Learning

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

“Sensors : Exploring Built-Up Indices and Machine Learning Regressions for Multi-Temporal Building Density Monitoring Based on Landsat Series” LINK

“Remote Sensing : Machine Learning Classification of Fused Sentinel-1 and Sentinel-2 Image Data towards Mapping Fruit Plantations in Highly Heterogenous Landscapes” LINK

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




Research on Spectroscopy

“A Review of Advanced Methods for the Quantitative Analysis of Single Component Oil in Edible Oil Blends” LINK

“ElectronRich 3,4Ethylenedioxythiophene (EDOT) Linkers in Tetracationic bisTriarylborane Chromophores: Influence on WaterStability, Biomacromolecule Sensing, and Photoinduced Cytotoxicity” LINK

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

“A Novel Blue Excited White Light Emitting Srwo4: Pr3+ Phosphors for Single Phase White-Led Applications” LINK




Equipment for Spectroscopy

“The Ever-Shrinking Spectrometer: New Technologies and Applications” LINK




Future topics in Spectroscopy

“The Effect of Task Performance and Partnership on Interpersonal Brain Synchrony during Cooperation” | LINK




Process Control and NIR Sensors

“Implementation of Dynamic and Static Moisture Control in Fluidized Bed Granulation” | LINK




Environment NIR-Spectroscopy Application

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

“Remote Sensing : Satellite Imagery to Map Topsoil Organic Carbon Content over Cultivated Areas: An Overview” LINK




Agriculture NIR-Spectroscopy Usage

“Composition Dependence of Structural, Optical, Magnetic and Photodegradation Properties of Nanocrystalline NiO/CuO Heterostructured Powders” LINK

“Agriculture : Potato Late Blight Severity and Epidemic Period Prediction Based on Vis/NIR Spectroscopy” LINK

“Prefrontal cortex oxygenation and autonomic nervous system activity under transcutaneous auricular vagus nerve stimulation in adolescents” LINK

“Prediction of protein and amino acid contents in whole and ground lentils using near-infrared reflectance spectroscopy” LINK

“Determination of nutritional health indexes of fresh bovine milk using near infrared spectroscopy” LINK

“Agronomy : Impact of Short-Term Atmospheric Heat Transfer on the Survival of Granary Weevil in Stored Winter Wheat” LINK

“Role of Hyperspectral imaging for Precision Agriculture Monitoring” LINK

“Potential of GPR data fusion with hyperspectral data for precision agriculture of the future” LINK




Horticulture NIR-Spectroscopy Applications

“Determination of quality attributes and ripening stage using vis-nir spectroscopy in intact seriguela and umbu fruits” LINK




Medicinal Spectroscopy

“Effects of Hemodynamic Differences on the Assessment of Inter-Brain Synchrony Between Adults and Infants” | LINK




Other

“Early Hemodynamic Effects of Mydriatic Eye-Drops in Preterm Infants” LINK

“Size-dependent theoretical and experimental photothermal conversion efficiency of spherical gold nanoparticles” LINK

“Diclofenac Ion Hydration: Experimental and Theoretical Search for Anion Pairs” | LINK

“W5+W5+ Pair Induced LSPR of W18O49 to Sensitize ZnIn2S4 for FullSpectrum SolarLightDriven Photocatalytic Hydrogen Evolution” LINK

“Hypoxic gas therapy in neonatology, considerations in practice” LINK

“Optical properties of zinc boro-tellurite glasses doped europium ion” LINK

“Comparative analysis of nitrogen removals and microbial communities in air and pure oxygen aeration systems during treatment of municipal solid waste incineration …” LINK





.

Spectroscopy and Chemometrics/Machine-Learning News Weekly #2, 2022

NIR Calibration-Model Services

NIR Spectrometry Custom Applications for chemical analysis | laboratory analyzer analyser QA QC Testing QAQC LINK

Protip: For NIR Spectroscopy Data Analysis use a Data Analytics Service that is NIR Domain related LINK

Spectroscopy and Chemometrics News Weekly 1, 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 1, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 1, 2022 | 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)

“Minerals : VIS-NIR/SWIR Spectral Properties of H2O Ice Depending on Particle Size and Surface Temperature” LINK

“AKURASI KESAMAAN KELOMPOK DATA BERDASARKAN FCM DAN PCA-FCM PADA DATA GULA DARAH HASIL PEMINDAIAN NIRS TERHADAP DATA GULA …” LINK

“Prediksi Kehilangan Hara Pada Tanah Tererosi Menggunakan Near Infrared Reflectance Spectroscopy (NIRS)” LINK

“Aplikasi Teknologi Near Infrared Reflectance Spectroscopy Dengan Metode Partial Least Square Untuk Prediksi Kadar Patchouli Alkohol Minyak Nilam” LINK

“Near infrared spectroscopy and aquaphotomics evaluation of the efficiency of solar dehydration processes in pineapple slices” LINK

“Comparisons of commercially available NIRS-based analyte predictions of haylage quality for equid nutrition” LINK

“Rapid discrimination of wood species from native forest and plantations using near infrared spectroscopy” LINK

“Identification of cocoa bean quality by near infrared spectroscopy and multivariate modeling” LINK

“The Influence of Ingredients, Corn Particle Size, and Sample Preparation on the Predictability of the Near Infrared Reflectance Spectroscopy” LINK

“Machine Learning Approach Using a Handheld Near-Infrared (NIR) Device to Predict the Effect of Storage Conditions on Tomato Biomarkers” LINK

“Solid Physical State Transformation in Hot Melt Extrusion Revealed by Inline Near-Infrared (NIR) Spectroscopy and Offline Terahertz (THz) Raman Imaging” LINK

“Thermal Insulation Performance of Novel Coated Fabrics Based on Fe-Doped BaSnO3 Near-Infrared Reflectance Pigments” LINK

“Non-destructive method for discrimination of weedy rice using near infrared spectroscopy and modified self-organizing maps (SOMs)” LINK

“Potential of VIS/NIR spectroscopy to detect and predict bitter pit in ‘Golden Smoothee’apples” LINK

“Litterbag-NIRS to Forecast Yield: a Horticultural Case with Biofertilizer Effectors” | LINK

“Determination of SSC and TA content of pear by Vis-NIR spectroscopy combined CARS and RF algorithm” LINK

“Evaluation of the robustness of a novel NIR-based technique to measure the residual moisture in freeze-dried products” LINK

“Comparison of Partial Least Square, Artificial Neural Network and Support Vector Regressions for real time monitoring of CHO cell culture processes using in situ Near Infrared spectroscopy” LINK

“Evaluating the impact of NIR pre-processing methods via multiblock partial least-squares” LINK

“Differentiation of Organic Cocoa Beans and Conventional Ones by Using Handheld NIR Spectroscopy and Multivariate Classification Techniques” | LINK




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

“NearInfrared II Plasmonic Phototheranostics with Glutathione Depletion for Multimodal ImagingGuided HypoxiaTolerant ChemodynamicPhotocatalyticPhotothermal Cancer Therapy Triggered by a Single Laser” LINK

“Nearinfrared spectroscopy aids ecological restoration by classifying variation of taxonomy and phenology of a native shrub” LINK

“Optimization of sweet basil harvest time and cultivar characterization using nearinfrared spectroscopy, liquid and gas chromatography, and chemometric statistical methods” LINK




Hyperspectral Imaging (HSI)

“Prediction and Distribution Visualization of Salmon Quality Based on Hyperspectral Imaging Technology” LINK

“A data fusion method of electronic nose and hyperspectral to identify the origin of rice” LINK

“Plants : Hyperspectral Reflectance Response of Wild Rocket (Diplotaxis tenuifolia) Baby-Leaf to Bio-Based Disease Resistance Inducers Using a Linear Mixed Effect Model” LINK

“Prediction of moisture content in steamed and dried purple sweet potato using hyperspectral imaging analysis” | LINK

“Integration of textural and spectral features of Raman hyperspectral imaging for quantitative determination of a single maize kernel mildew coupled with chemometrics” LINK




Chemometrics and Machine Learning

“Near infrared spectroscopy combined with chemometrics for quantitative analysis of corn oil in edible blend oil” LINK

“Applications of NIR spectroscopy and chemometrics to illicit drug analysis: an example from inhalant drug screening tests” LINK

“Remote Sensing : Extraction of Kenyan Grassland Information Using PROBA-V Based on RFE-RF Algorithm” LINK

“Monitoring Molecular Weight Changes during Technical Lignin Depolymerization by Operando Attenuated Total Reflectance Infrared Spectroscopy and Chemometrics” LINK

“Modification of the effect of maturity variation on nondestructive detection of apple quality based on the compensation model” LINK

“Foods : Rapid Detection of Thermal Treatment of Honey by Chemometrics-Assisted FTIR Spectroscopy” LINK

“Applied Sciences : Dual Image-Based CNN Ensemble Model for Waste Classification in Reverse Vending Machine” LINK




Optics for Spectroscopy

Five highly cited papers in the fields of biosensors materials sensors (a thread) LINK




Facts

“Remote Sensing : Towards a Deep-Learning-Based Framework of Sentinel-2 Imagery for Automated Active Fire Detection” LINK




Research on Spectroscopy

“Residence Time Distribution as a Traceability Method for Lot Changes in A Pharmaceutical Continuous Manufacturing System” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing : Inversion Evaluation of Rare Earth Elements in Soil by Visible-Shortwave Infrared Spectroscopy” LINK

“Heavy rainfall in peak growing season had larger effects on soil nitrogen flux and pool than in the late season in a semiarid grassland” LINK

“Rachis browning and water loss description during postharvest storage of ‘Krissy’and ‘Thompson Seedless’ table grapes” LINK

“Retrieving zinc concentrations in topsoil with reflectance spectroscopy at Opencast Coal Mine sites” | LINK

“Remote Sensing : Soil Organic Carbon Content Prediction Using Soil-Reflected Spectra: A Comparison of Two Regression Methods” LINK




Agriculture NIR-Spectroscopy Usage

“The Promise of Hyperspectral Imaging for the Early Detection of Crown Rot in Wheat” LINK

“Ecological effects on the nutritional value of bromeliads, and its influence on Andean bears’ diet selection” LINK

“Agronomy : Complex Spectroscopic Study for Fusarium Genus Fungi Infection Diagnostics of “Zalp” Cultivar Oat” LINK

“Predicting Protein Content in Grain Using Hyperspectral Deep Learning” LINK

“Genome-Wide Association Studies of Soybean Yield-Related Hyperspectral Reflectance Bands Using Machine Learning-Mediated Data Integration Methods” | LINK




Horticulture NIR-Spectroscopy Applications

“Determination of Sugar Adulteration in Honey Using Conductivity Meter and pH Meter” LINK

“A Comparative Analysis of Hybrid SVM and LS-SVM Classification Algorithms to Identify Dried Wolfberry Fruits Quality Based on Hyperspectral Imaging Technology” LINK




Chemical Industry NIR Usage

“Polymers : Hybrid Proton-Exchange Membrane Based on Perfluorosulfonated Polymers and Resorcinol-Formaldehyde Hydrogel” LINK




Laboratory and NIR-Spectroscopy

“Improving Quality Inspection of Textiles by an Augmented RGB-IR-HS-AI Approach” LINK




Other

“External beam irradiation angle measurement using Cerenkov emission I: Signal dependencies consideration” LINK

“Applications of Sensing for Disease Detection” LINK

“Functionalized Tris (anilido) triazacyclononanes as Hexadentate Ligands for the Encapsulation of U (III), U (IV) And La (III) Cations” LINK

“การ ประยุกต์ ใช้ เทคนิค สเปก โทร ส โค ปี อินฟราเรด ย่าน ใกล้ สำหรับ ทำนาย ปริมาณ แค โร ที น อย ด์ ใน เชื้อ พันธุกรรม ข้าวโพด หวาน” LINK

“抑郁症的近红外光谱研究进展” LINK

“高光谱成像技术在医药领域中的应用进展研究” LINK



Spectroscopy and Chemometrics News Weekly #4, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 3, 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 3, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 3, 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)

“Transcutaneous Near Infra-Red Spectroscopy (NIRS) for monitoring paediatric renal allograft perfusion” LINK

“Multivariate calibration: Identification of phenolic compounds in PROPOLIS using FTNIR” LINK

“Feasibility study of detecting palm oil adulteration with recycled cooking oil using a handheld NIR spectroscopy” LINK

“PREDICTION OF BIOACTIVE COMPOUNDS IN BARLEY BY NEAR-INFRARED REFLECTANCE SPECTROSCOPY (NIRS)” LINK

“A Systematic and Consistent Assay for High-throughput Characterization of Stalk Quality in Sugarcane by Near-infrared Spectroscopy” LINK

“Ultraviolet-visible/near infrared spectroscopy and hyperspectral imaging to study the different types of raw cotton” LINK




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

“Rapid qualitative identification and quantitative analysis of Flos Mume based on fourier transform near infrared spectroscopy” LINK

” Distinction of surgically resected gastrointestinal stromal tumor by near-infrared hyperspectral imaging” LINK

” Dataset of chemical and near-infrared spectroscopy measurements of fresh and dried poultry and cattle manure” LINK

“Utilizing near infrared hyperspectral imaging for quantitatively predicting adulteration in tapioca starch” LINK

“Near-infrared hyperspectral imaging for detection and visualization of offal adulteration in ground pork” LINK

“Comparative study of degradation between the carbon black back coat layer and magnetic layer in magnetic audio tapes using attenuated total reflectance Fourier transform infrared spectroscopy and machine learning techniques” LINK




Hyperspectral Imaging (HSI)

“Near-infrared hyperspectral imaging (NIR-HSI) and normalized difference image (NDI) data processing: an advanced method to map collagen in archaeological …” LINK

“Effect of curvature on hyperspectral reflectance images of cereal seed-sized objects” LINK

” Application of hyperspectral imaging to detect toxigenic Fusarium infection on cornmeal” LINK




Chemometrics and Machine Learning

“Determination of Conformational Changes of Polyphenol Oxidase and Peroxidase in Peach Juice during Mild Heat Treatment Using FTIR Spectroscopy Coupled with Chemometrics” LINK

“Model-Based Pre-Processing in Vibrational Spectroscopy” LINK

“Challenging handheld NIR spectrometers with moisture analysis in plant matrices: performance of PLSR vs. GPR vs. ANN modelling” LINK

“Maturity determination of single maize seed by using near-infrared hyperspectral imaging coupled with comparative analysis of multiple classification models” LINK

“Comparison of Soil Total Nitrogen Content Prediction Models Based on Vis-NIR Spectroscopy.” LINK

“Machine Learning-Based Presymptomatic Detection of Rice Sheath Blight Using Spectral Profiles.” LINK




Equipment for Spectroscopy

“Green analytical assay for the quality assessment of tea by using pocket-sized NIR spectrometer.” Caffeine Catechins Theanine LINK




Process Control and NIR Sensors

” Impact of Processing and Extraction on the Minor Components of Green Spanish-Style Gordal Table Olive Fat, as Assessed by Innovative Approaches” LINK




Environment NIR-Spectroscopy Application

“National-scale spectroscopic assessment of soil organic carbon in forests of the Czech Republic” LINK

“Image and Point Data Fusion for Enhanced Discrimination of Ore and Waste in Mining” LINK




Agriculture NIR-Spectroscopy Usage

” Evaluation of the physicochemical content and solid-state fermentation stage of Zhenjiang aromatic vinegar using near-infrared spectroscopy” LINK

“Non-invasive spectroscopic and imaging systems for prediction of beef quality in a meat processing pilot plant” LINK

“Compositional Analyses Reveal Relationships among Components of Blue Maize Grains” LINK

“Rapid Detection of the Quality of Miso (Japanese Fermented Soybean Paste) Using Visible/Near-Infrared Spectroscopy” LINK




Horticulture NIR-Spectroscopy Applications

“Optical Absorption and Scattering Properties at 900-1650 nm and Their Relationships with Soluble Solid Content and Soluble Sugars in Apple Flesh during Storage” LINK




Food & Feed Industry NIR Usage

“Feasibility of fraud detection in rice using a handheld near-infrared spectroscopy” LINK

“Feasibility of fraud detection in milk powder using a handheld near-infrared spectroscopy” LINK

“Wild barley, a resource to optimize yield stability and quality of elite barley: kumulative Dissertation” LINK

” Assessment of the vigor of rice seeds by near-infrared hyperspectral imaging combined with transfer learning” LINK




Laboratory and NIR-Spectroscopy

” Identification of peat type and humification by laboratory VNIR/SWIR hyperspectral imaging of peat profiles with focus on fen-bog transition in aapa mires” 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



Spectroscopy and Chemometrics News Weekly #37, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 36, 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 36, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 36, 2020 | 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 Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“NIR Spectroscopic Techniques for Quality and Process Control in the Meat Industry” LINK

“Estimating coefficient of linear extensibility using Vis–NIR reflectance spectral data: Comparison of model validation approaches” LINK

“NIR spectroscopy and chemometric tools to identify high content of deoxynivalenol in barley” LINK

“Combining multivariate method and spectral variable selection for soil total nitrogen estimation by Vis–NIR spectroscopy” LINK

“Multi-task deep learning of near infrared spectra for improved grain quality trait predictions” LINK

“Multi-factor Fusion Models for Soluble Solid Content Detection in Pear (Pyrus bretschneideri ‘Ya’) Using Vis/NIR Online Half-transmittance Technique” LINK

“Determining regression equations for predicting the metabolic energy values of barley-producing cultivars in Iran and comparing the results with the results of NIRS method and cultivars …” LINK

“Using Near-Infrared Reflectance Spectroscopy (NIRS) to Predict Glucobrassicin Concentrations in Cabbage and Brussels Sprout Leaf Tissue” LINK

“Near-Infrared Spectroscopy for Analyzing Changes of Pulp Color of Kiwifruit in Different Depths” LINK

“Novel NIR modeling design and assignment in process quality control of Honeysuckle flower by QbD” LINK




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

“Near-infrared spectroscopy to determine cold-flow improver concentrations in diesel fuel” LINK

“Improving spatial synchronization between X-ray and near-infrared spectra information to predict wood density profiles” LINK

“Functional principal component analysis for near-infrared spectral data: a case study on Tricholoma matsutakeis” LINK

“Midinfrared spectroscopy as a tool for realtime monitoring of ethanol absorption in glycols” LINK

“Inline characterization of dispersion uniformity evolution during a twinscrew blending extrusion based on nearinfrared spectroscopy” LINK

“Development of Fourier Transform near Infrared Spectroscopy Methods for the Rapid Quantification of Starch and Cellulose in Mozzarella and Other Italian-Type CHEESES” LINK

“Prediction of Anthocyanin Content in Three Types of Blueberry Pomace by Near-Infrared Spectroscopy” LINK

“Sweetness Detection and Grading of Peaches and Nectarines by Combining Short-and Long-Wave Fourier-Transform Near-Infrared Spectroscopy” LINK




Spectral Imaging

“Use of UAS Multispectral Imagery at Different Physiological Stages for Yield Prediction and Input Resource Optimization in Corn” Remote Sensing LINK




Chemometrics and Machine Learning

“Combination of visible reflectance and acoustic response to improve nondestructive assessment of maturity and indirect prediction of internal quality of redfleshed pomelo” LINK

“Green Analytical Methods of Antimalarial Artemether-Lumefantrine Analysis for Falsification Detection Using a LowCost Handled NIR Spectrometer with DD-SIMCA and Drug Quantification by HPLC” LINK

“Data fusion of UPLC data, NIR spectra and physicochemical parameters with chemometrics as an alternative to evaluating kombucha fermentation” LINK

“Effect of physicochemical factors and use of milk powder on milk rennet-coagulation: Process understanding by near infrared spectroscopy and chemometrics” LINK

“A Digital Approach to Model Quality and Sensory Traits of Beers Fermented under Sonication Based on Chemical Fingerprinting” LINK

“Latent Variable Graphical Modeling for High Dimensional Data Analysis” LINK




Equipment for Spectroscopy

“Evaluation of Salmon, Tuna, and Beef Freshness Using a Portable Spectrometer” Sensors LINK

“Developing a soil spectral library using a low-cost NIR spectrometer for precision fertilization in Indonesia” LINK

“Compact Solid Etalon Computational Spectrometer: FY19 Optical Systems Technology Line-Supported Program” LINK




Agriculture NIR-Spectroscopy Usage

“Detection of Melamine Adulteration in Milk Powder by Using Optical Spectroscopy Technologies in the Last Decade—a Review” LINK




Horticulture NIR-Spectroscopy Applications

“Accurate non-destructive prediction of peach fruit internal quality and physiological maturity with a single scan using near infrared spectroscopy” LINK

“Recent Advances in Spectral Analysis Techniques for Non-Destructive Detection of Internal Quality in Watermelon and Muskmelon: A Review” “光谱分析在西甜瓜内部品质无损检测中的研究进展” LINK




Food & Feed Industry NIR Usage

“Detection of fraud in highquality rice by nearinfrared spectroscopy” LINK

“Detecting food fraud in extra virgin olive oil using a prototype portable hyphenated photonics sensor” LINK

“Nondestructive detection of sunset yellow in cream based on near-infrared spectroscopy and interval random forest” LINK




Other

“The Detection of Substitution Adulteration of Paprika with Spent Paprika by the Application of Molecular Spectroscopy Tools.” LINK

“The Effect of Monomers on the Recognition Properties of Molecularly Imprinted Beads for Proto-hypericin and Proto-pseudohypericin” | FLOREA GAVRILA 1 20.pdf LINK





.

Spectroscopy and Chemometrics News Weekly #22, 2020

NIR Calibration-Model Services

New Free NIR-Predictor V2.6 software is released – Reads and predicts *.spc spectra file format (Thermo-Scientific / Galactic GRAMS) – Spectra Plots on the Prediction Reports NIRS NIR Spectroscopy Spectrometer QualityControl Lab Laboratory Analysis LINK
Spectra Plot


Spectroscopy and Chemometrics News Weekly 21, 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 21, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 21, 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)

“NIR spectroscopy application for determination caffeine content of Arabica green bean coffee” LINK

“Review of NIR spectroscopy methods for nondestructive quality analysis of oilseeds and edible oils” LINK

“Omega-3 and Omega-6 Determination in Nile Tilapia’s Fillet Based on MicroNIR Spectroscopy and Multivariate Calibration” LINK

“Determination of metmyoglobin in cooked tan mutton using Vis/NIR hyperspectral imaging system” LINK

“Prediction of water content in Lintong green bean coffee using FT-NIRS and PLS method” LINK

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

“A system using in situ NIRS sensors for the detection of product failing to meet quality standards and the prediction of optimal postharvest shelf-life in the case of oranges kept in cold storage” LINK

“Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy” LINK

“Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species” LINK




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

“Rapid and Non-destructive Detecting Frying Times of Peanut Oil Based on Near Infrared Reflectance Spectroscopy” LINK

“Different Supervised and unsupervised classification approaches based on Visible/Near infrared spectral analysis for discrimination of microbial contaminated lettuce …” LINK

“Nondestructive determination of lignin content in Korla fragrant pear based on near-infrared spectroscopy” LINK

“Monitoring the Progress and Healing Status of Burn Wounds Using Infrared Spectroscopy” LINK

“Detection of melamine and sucrose as adulterants in milk powder using near-infrared spectroscopy with DD-SIMCA as one-class classifier and MCR-ALS … forensic evidence” LINK

“Differentiating Between Malignant Mesothelioma and Other Pleural Lesions Using Fourier Transform Infrared Spectroscopy” LINK

“Confirmation of brand identification in infant formulas by near-infrared spectroscopy fingerprints” LINK

“Near-infrared spectroscopy of the placenta for monitoring fetal oxygenation during labour.” LINK

“Impact of H2O on atmospheric CH4 measurement in near-infrared absorption spectroscopy.” LINK

“Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds” LINK

“Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum).” phenotyping LINK

“Multiple-depth Modeling of Soil Organic Carbon using Visible–Near Infrared Spectroscopy” LINK

“Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning” LINK

“Simultaneous determination of antioxidant properties and total phenolic content of Siraitia grosvenorii by near infrared spectroscopy” LINK

“Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy” LINK

“Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression” LINK

“Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy” LINK

“THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE’S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY” LINK

“Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)” LINK




Raman Spectroscopy

“Raman Technology for Today’s Spectroscopists” LINK

“Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition” LINK




Hyperspectral Imaging (HSI)

“Classification of Hyperspectral Endocrine Tissue Images Using Support Vector Machines.” LINK

“Using dual-channel CNN to classify hyperspectral image based on spatial-spectral information” LINK

“Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging.” LINK

“Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves” LINK

“Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging” LINK




Chemometrics and Machine Learning

“Rapid detection of saffron (Crocus sativus L.) Adulterated with lotus stamens and corn stigmas by near-infrared spectroscopy and chemometrics” LINK

“Simultaneous quantification of active constituents and antioxidant capability of green tea using NIR spectroscopy coupled with swarm intelligence algorithm” LINK

“Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands” LINK

“Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils” LINK

“Identification of Tea Diseases Based on Spectral Reflectance and Machine Learning” LINK

“Machine learning estimators for the quantity and quality of grass swards used for silage production using drone-based imaging spectrometry and …” LINK




Research on Spectroscopy

“Lanthanide complexes with N-(2, 6-dimethylphenyl) oxamate: Synthesis, characterisation and cytotoxicity” LINK

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK




Equipment for Spectroscopy

“Evaluation of Depth Measurement Method Based on Spectral Characteristics Using Hyperspectrometer” LINK

“Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts” LINK




Process Control and NIR Sensors

“Process analytical technology tools for process control of roller compaction in solid pharmaceuticals manufacturing.” LINK




Agriculture NIR-Spectroscopy Usage

“The effect of bubble formation within carbonated drinks on the brewage foamability, bubble dynamics and sensory perception by consumers” LINK

“Rapid Measurement of Soybean Seed Viability Using Kernel-Based Multispectral Image Analysis” LINK

“Remote Sensing, Vol. 12, Pages 1256: Crop Separability from Individual and Combined Airborne Imaging Spectroscopy and UAV Multispectral Data” LINK

“Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms” LINK

“Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China” LINK

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK




Horticulture NIR-Spectroscopy Applications

” Nondestructive determining the soluble solids content of citrus using near infrared transmittance technology combined with the variable selection algorithm” LINK




Food & Feed Industry NIR Usage

“Statistical Analysis of Protein Content in Wheat Germplasm Based on Near-infrared Reflectance Spectroscopy” LINK

“Prediction of infertile chicken eggs before hatching by the Naïve-Bayes method combined with visible near infrared transmission spectroscopy” LINK




Other

“Microsoft lays off journalists to replace them with AI” LINK





NIR-Predictor Download

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



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



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

What’s new, see Release Notes

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

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

Installation
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.

Upgrade
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.

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


Start Calibrate

See also: