Spectroscopy and Chemometrics/Machine-Learning News Weekly #49, 2021

NIR Calibration-Model Services

Effective development of new quantitative prediction equations for multivariate data like NIR spectra | spectrum LINK

How to improve calibration models for NIR Instrument Devices? Wheat Food Security LINK

Spectroscopy and Chemometrics News Weekly 48, 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 48, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 48, 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)

“Insight into the stability of protein in confined environment through analyzing the structure of water by temperature-dependent near-infrared spectroscopy” LINK

“Determination of starch and amylose contents in various cereals using common model of near-infrared reflectance spectroscopy.” LINK

“RESEARCH ARTICLE Near-infrared spectroscopy for the distinction of wood and charcoal from Fabaceae species: comparison of ANN, KNN AND SVM …” LINK

“Device-Independent Discrimination of Falsified Amoxicillin Capsules Using Heterogeneous Near-Infrared Spectroscopic Devices for Training and Testing of a Support Vector Machine” LINK

“High quality VO(2) thin films synthesized from V(2)O(5) powder for sensitive near-infrared detection” | LINK

“Detection of toxic chemicals in hand sanitizers using near-infrared spectroscopy” LINK

“Identification of Baha’sib mung beans based on Fourier transform near infrared spectroscopy and partial least squares” LINK

“Remote Sensing : Identification of Amaranthus Species Using Visible-Near-Infrared (Vis-NIR) Spectroscopy and Machine Learning Methods” LINK

“Nondestructive Detection of Internal Flavor in ‘Shatian’Pomelo Fruit Based on Visible/Near Infrared Spectroscopy” | LINK

“Determination of sex-enhancing drugs illegally added in health care products by TLC-NIRS combined technology” LINK

“Rapid detection of exogenous sucrose in black tea samples based on near-infrared spectroscopy” LINK

“Rapid determination of diesel fuel properties by near-infrared spectroscopy” LINK

“Biosensors : Room-Temperature Synthesis of Air-Stable Near-Infrared Emission in FAPbI3 Nanoparticles Embedded in Silica” LINK

“Potential of visible-near infrared spectroscopy for the determination of three soil aggregate stability indices” LINK

” A dataset of the chemical composition and near-infrared spectroscopy measurements of raw cattle, poultry and pig manure” LINK

“Forests : Identifying Wood Based on Near-Infrared Spectra and Four Gray-Level Co-Occurrence Matrix Texture Features” LINK

“… Selection for Referenceless Multivariate Calibration: A Case Study on Nicotine Determination in Flue-Cured Tobacco Powder by Near-Infrared (NIR) Spectroscopy” LINK

“Prediction and Utilization of Malondialdehyde in Exotic Pine Under Drought Stress Using Near-Infrared Spectroscopy” | LINK

“Quantification of irrigated lesion morphology using near-infrared spectroscopy” | LINK

“A Comparison between the Post-and Pre-dispersive Near Infrared Spectroscopy in Non-Destructive Brix Prediction Using Artificial Neural Network” LINK




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

“Efficient Broadband Near‐Infrared Emission in the GaTaO4:Cr3+ Phosphor” | LINK

“Aflatoxin contaminated cocoa beans classification using near-infrared spectroscopy” LINK

“The Effect Of Hemodynamic Parameters On Peripheral Near Infrared Spectroscopy In An Animal Model” LINK

“Iridium(III) Complexes with [2, 1, 0] Charged Ligands Realized DeepRed/NearInfrared Phosphorescent Emission” LINK




Raman Spectroscopy

“Multivariate Analysis Aided Surface-Enhanced Raman Spectroscopy (MVA-SERS) Multiplex Quantitative Detection of Trace Fentanyl in Illicit Drug Mixtures Using a Handheld Raman Spectrometer” LINK




Hyperspectral Imaging (HSI)

“BRCN-ERN: A Bidirectional Reconstruction Coding Network and Enhanced Residual Network for Hyperspectral Change Detection” LINK

“Rapid identification of adulterated safflower seed oil by use of hyperspectral spectroscopy” LINK

“Remote Sensing : Monitoring the Severity of Pantana phyllostachysae Chao on Bamboo Using Leaf Hyperspectral Data” LINK

“Rapid identification of the green tea geographical origin and processing month based on near-infrared hyperspectral imaging combined with chemometrics” LINK

“Chemometric strategies for near infrared hyperspectral imaging analysis: classification of cotton seed genotypes” LINK

“Applied Sciences : Determination of Sugar, pH, and Anthocyanin Contents in Port Wine Grape Berries through Hyperspectral Imaging: An Extensive Comparison of Linear and Non-Linear Predictive Methods” LINK

“… Area Index, Chlorophyll Content and Fraction of Vegetation Cover Using an Empirical-Statistical Approach from Chris-Proba Satellite Hyperspectral Images over the …” LINK

“Design and verification of a large-field hyperspectral imaging system” LINK

“Visualization of heavy metal cadmium in lettuce leaves based on wavelet support vector machine regression model and visible‐near infrared hyperspectral imaging” LINK

“Band Selection for HSI Classification using Binary Constrained Optimization” LINK

“New Approach to the Old Challenge of Free Flap Monitoring—Hyperspectral Imaging Outperforms Clinical Assessment by Earlier Detection of Perfusion Failure” LINK




Spectral Imaging

“Machine learning and hyper spectral imaging: multi spectral endoscopy in the gastro intestinal tract towards hyper spectral endoscopy” LINK




Chemometrics and Machine Learning

“… residual extreme learning machine (PLSRR-ELM) calibration algorithm applied in fast determination of gasoline octane number with near-infrared spectroscopy” LINK

“Recognition of authentic or false blood based on NIR spectroscopy and PCA-WNN-PSO algorithm” LINK

“EVALUATION OF AGARWOOD (AQUILARIA MALACCENIS) FROM BINTAN ISLAND BASED ON INDONESIAN STANDARD: PREDICTING ITS QUALITY USING …” LINK

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

“Multivariate Calibration of Concentrations of C, Mn, Si, Cr, Ni, and Cu in Low-Alloy Steels from Raw Low-Resolution Spectra Obtained By Laser-Induced Breakdown Spectroscopy” LINK




Optics for Spectroscopy

“Foam Flows in Turbulent Liquid Exfoliation of Layered Materials and Implications for Graphene Production and Inline Characterisation” LINK

“Chemical Engineering of Cu-Sn Disordered Network Metamaterials” LINK

“High-Performance Waveguide-Integrated Bi<sub>2</sub>O<sub>2</sub>Se Photodetector for Si Photonic Integrated Circuits” LINK




Equipment for Spectroscopy

“Electrical and Mechanical Properties of Intrinsically Flexible and Stretchable PEDOT Polymers for Thermotherapy” LINK

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




Process Control and NIR Sensors

“Dry Powder Mixing Is Feasible in Continuous Twin Screw Extruder: Towards Lean Extrusion Process for Oral Solid Dosage Manufacturing” | LINK

“Manipulating electroluminochromism behavior of viologen substituted iridium(III) complexes through ligand engineering for information display and encryption” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing : Estimating Vertical Distribution of Leaf Water Content within Wheat Canopies after Head Emergence” LINK




Agriculture NIR-Spectroscopy Usage

“Towards ecological intensification of agriculture: from management to soil bacterial and nitrogen-cycling communities” LINK

“Er: YAG Laser Cleaning of Painted Surfaces: Functional Considerations to Improve Efficacy and Reduce Side Effects” LINK

“Agronomy : Evaluation of Metabolomic Profile and Growth of Moringa oleifera L. Cultivated with Vermicompost under Different Soil Types” LINK

“High-throughput phenotyping of cool-season crops using non-invasive sensing techniques” LINK




Forestry and Wood Industry NIR Usage

“Polymers : Passive Fire Protection of Taeda pine Wood by Using Starch-Based Surface Coatings” LINK




Food & Feed Industry NIR Usage

“Foods : Microbiological Quality Assessment of Chicken Thigh Fillets Using Spectroscopic Sensors and Multivariate Data Analysis” LINK

“The potential to increase beef production in tropical Nth Australia by including Desmanthus cv JCU 2 in a Buffel grass (Cenchrus ciliaris) dominant pasture” LINK




Pharma Industry NIR Usage

“Spectroscopic characteristics of Xeloda chemodrug” | LINK




Laboratory and NIR-Spectroscopy

“Potential of laboratory hyperspectral data for in-field detection of Phytophthora infestans on potato” LINK




Other

“Beam test of carbon ion production for development of new compact ECR ion source for multi ion therapy” LINK

“Silver Peroxide Nanoparticles for Combined Antibacterial Sonodynamic and Photothermal Therapy” | LINK

“Splanchnic oxygen saturation during reoxygenation with 21% or 100% O2 in newborn piglets” | LINK





Spectroscopy and Chemometrics/Machine-Learning News Weekly #45, 2021


NIR Calibration-Model Services

Get the Spectroscopy and Chemometrics / Machine-Learning News Weekly in real time on Twitter Twitter @ CalibModel and follow us.



Spectroscopy and Chemometrics News Weekly 44, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link


Near-Infrared Spectroscopy (NIRS)

“Study on Characteristic Wavelength Extraction Method for Near Infrared Spectroscopy Identification Based on Genetic Algorithm” LINK

“Uji Karakteristik Biochar dengan Pendekatan Near Infrared Spectroscopy (NIRS)” LINK

“Establishment of online quantitative model for moisture content determination of hydroxychloroquine sulfate particles by near infrared spectroscopy” LINK

“Nondestructive detection model of soluble solids content of an apple using visible/near-infrared spectroscopy combined with CARS and MPGA” LINK

“Detecting cadmium contamination in loessal soils using near-infrared spectroscopy in the Xiaoqinling gold area” LINK

“Egg Freshness Evaluation Using Transmission and Reflection of NIR Spectroscopy Coupled Multivariate Analysis” LINK

“Determination of Alcohol Content in Beers of Different Styles Based on Portable Near-Infrared Spectroscopy and Multivariate Calibration” | LINK

“Analysing the Water Spectral Pattern by Near-Infrared Spectroscopy and Chemometrics as a Dynamic Multidimensional Biomarker in Preservation: Rice Germ …” LINK

“Remote Sensing : The Application of NIRS to Determine Animal Physiological Traits for Wildlife Management and Conservation” LINK

“Wavelength selection method for near-infrared spectroscopy based on standard-sample calibration transfer of mango and apple” LINK

“A portable NIR-system for mixture powdery food analysis using deep learning” LINK




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

“Compositional and sensory quality of beef and its determination by near infrared” LINK

“Butyrylcholinesterase responsive supramolecular prodrug with targeted nearinfrared cellular imaging property” LINK




Raman Spectroscopy

“Quantitative analysis of binary and ternary organo-mineral solid dispersions by Raman spectroscopy for robotic planetary exploration missions on Mars” | OpenAccess LINK




Hyperspectral Imaging (HSI)

“A shallow network for hyperspectral image classification using an autoencoder with convolutional neural network” | LINK

“Hyperspectral camera development on an unmanned aerial vehicle” LINK

“Direct reflectance transformation methodology for drone-based hyperspectral imaging” LINK




Spectral Imaging

“Remote Sensing : Application of Multispectral Camera in Monitoring the Quality Parameters of Fresh Tea Leaves” LINK




Chemometrics and Machine Learning

“Sensors : Adaboost-Based Machine Learning Improved the Modeling Robust and Estimation Accuracy of Pear Leaf Nitrogen Concentration by In-Field VIS-NIR Spectroscopy” LINK

“Discrimination of Manufacturers Origin of Oxytetracycline Using Terahertz Time-Domain Spectroscopy with Chemometric Methods” LINK




Spectroscopy

“Sensors : Non-Invasive Monitoring of Ethanol and Methanol Levels in Grape-Derived Pisco Distillate by Vibrational Spectroscopy” LINK




Equipment for Spectroscopy

“Improving the thermoelectric performances of polymer via synchronously realizing of chemical doping and side-chain cleavage” LINK




Environment NIR-Spectroscopy Application

“Determining physical and mechanical volcanic rock properties via reflectance spectroscopy” LINK

“Unauthorized landfills of solid household and industrial wastes detection in the Arctic and Subarctic territories using remote sensing technologies” LINK

“Evaluating the effects of distinct water saturation states on the light penetration depths of sand-textured soils” LINK




Agriculture NIR-Spectroscopy Usage

“Sorghum Grains Grading for Food, Feed, and Fuel Using NIR Spectroscopy” LINK

“Estimation of leaf area index at the late growth stage of crops using unmanned aerial vehicle hyperspectral images” LINK

“Analysis of Spectral Reflectance Characteristics Using Hyperspectral Sensor at Diverse Phenological Stages of Soybeans” LINK




Horticulture NIR-Spectroscopy Applications

“Data fusion for fruit quality authentication: combining non-destructive sensing techniques to predict quality parameters of citrus cultivars” | LINK




Food & Feed Industry NIR Usage

“Buckwheat Identification by Combined UV-VIS-NIR Spectroscopy and Multivariate Analysis” LINK




Other

“Effect of the annealing temperature on the growth of the silver nanoparticles synthesized by physical route” LINK



Spectroscopy and Chemometrics News Weekly #25, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 24, 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 24, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 24, 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)

” CARACTERIZACIÓN QUIMICA DE SUELOS VOLCANICOS UTILIZANDO ESPECTROSCOPIA DE INFRARROJO CERCANO (NIRS)” LINK

“Development of an FT-NIR Method to Predict Process Cheese Functionality” LINK

“An effective classification framework for brain-computer interface system design based on combining of fNIRS and EEG signals” LINK

“Coronary artery disease and its impact on the pulsatile brain: A functional NIRS study” LINK

“Predicting anemia using NIR spectrum of spent dialysis fluid in hemodialysis patients” | LINK

“Automated Detection of Tetranychus urticae Koch in Citrus Leaves Based on Colour and VIS/NIR Hyperspectral Imaging” LINK




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

” A novel spectral index for estimating fractional cover of non-photosynthetic vegetation using near-infrared bands of Sentinel satellite” LINK

“Spatial distribution of total polyphenols in multi-type of tea using near-infrared hyperspectral imaging” LINK

“Investigation on the Mechanisms of Mg(OH)2 Dehydration and MgO Hydration by Near-Infrared Spectroscopy” LINK

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

“Nondestructive determination of SSC in Korla Fragrant Pear using a portable near-infrared spectroscopy system” LINK

“Applied Sciences, Vol. 11, Pages 4717: 808-Nm Near-Infrared Laser Photobiomodulation versus Switched-Off Laser Placebo in Major Aphthae Management: A Randomized Double-Blind Controlled Trial” LINK

“Titration of Inspired Oxygen in Preterm Infants with Hypoxemic Respiratory Failure Using Near Infrared Spectroscopy and Pulse Oximetry: A New Approach” LINK

“Shedding light on neuroscience: Two decades of functional nearinfrared spectroscopy applications and advances from a bibliometric perspective” LINK




Hyperspectral Imaging (HSI)

“Hyperspectral Detection and Monitoring of Salt Stress in Pomegranate Cultivars” Agronomy LINK

“Applied Sciences, Vol. 11, Pages 4588: Beef Quality Grade Classification Based on Intramuscular Fat Content Using Hyperspectral Imaging Technology” LINK




Spectral Imaging

“Artificial Intelligence Empowered Multispectral Vision Based System for Non-Contact Monitoring of Large Yellow Croaker (Larimichthys crocea) Fillets” Foods LINK




Chemometrics and Machine Learning

” Assessment of chicken breast shelf life based on bench-top and portable near-infrared spectroscopy tools coupled with chemometrics” LINK

” Prediction of the particle size and flow characteristics of powder blends for tableting by near-infrared spectroscopy and chemometrics” LINK

“Antibacterial Activity of Moroccan Zantaz Honey and the Influence of Its Physicochemical Parameters Using Chemometric Tools” AppliedSciences LINK

“Predicting pectin performance strength using nearinfrared spectroscopic data: A comparative evaluation of 1D convolutional neural network, partial least squares, and ridge regression modeling” LINK

“Sequential and orthogonalized PLS (SOPLS) regression for path analysis: Order of blocks and relations between effects” LINK

“The Impacts of Spatial Resolution, Viewing Angle, and Spectral Vegetation Indices on the Quantification of Woody Mediterranean Species Seasonality Using Remote Sensing” LINK

“Partial least squares and silver nanoparticles in spectrophotometric prediction of total hardness of water” LINK

“Genetic robust kernel sample selection for chemometric data analysis” LINK




Equipment for Spectroscopy

“Nearinfrared triggered drug delivery of Imatinib Mesylate by molybdenum disulfide nanosheets grafted copolymers as thermosensitive nanocarriers” LINK




Process Control and NIR Sensors

“IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity” LINK




Environment NIR-Spectroscopy Application

“Study on hyperspectral estimation model of soil organic carbon content in the wheat field under different water treatments” LINK

“Ecometabolic mixture design-fingerprints from exploratory multi-block data analysis in Coffea arabica beans from climate changes: Elevated carbon dioxide and reduced soil water availability” LINK




Agriculture NIR-Spectroscopy Usage

“Integrating Straw Management and Seeding to Improve Seed Yield and Reduce Environmental Impacts in Soybean Production” Agronomy LINK

” Soil N 2 O flux and nitrification and denitrification gene responses to feed-induced differences in the composition of dairy cow faeces” | LINK




Food & Feed Industry NIR Usage

“Pulsed Electric Field (PEF) Processing of Chilled and Frozen-Thawed Lamb Meat Cuts: Relationships between Sensory Characteristics and Chemical Composition of Meat” Foods LINK




Other

“Racial Differences in Hemodynamic Responses to Lower Body Negative Pressure: The Effects of Capsaicin” LINK

“苹果可溶性固形物的可见/近红外无损检测” LINK

“Quantitative vibrational spectroscopy on liquid mixtures: concentration units matter” LINK

“Enhanced light harvesting in dyesensitized solar cells enabled by TiO2:Er3+, Yb3+ upconversion phosphor particles as solar spectral converter and light scattering medium” 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 #26, 2020

NIR Calibration-Model Services

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

Pro Tip: The NIR calibration is the central key to accurate NIR measurement | NIRS LINK

Spectroscopy and Chemometrics News Weekly 25, 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 25, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 25, 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)

“Study on Detection Methods for Frying Times of Soybean Oil Based on NIRS” LINK

“Non-destructive Detection the Content of Acid Detergent Fiber in Corn Stalk Using NIRS” LINK

“Differentiation of South African Game Meat Using Near-Infrared (NIR) Spectroscopy and Hierarchical Modelling” LINK

“Changes in chemical components with NIR spectroscopy and durability of samama wood treated with boron, methyl methacrylate and heat treatment” LINK

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

“Principle Component Analysis (PCA)-Classification of Arabica green bean coffee of North Sumatera Using FT–NIRS” LINK

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




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

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

“Soil NPK Levels Characterization Using Near Infrared and Artificial Neural Network” LINK

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

“Biosensors, Vol. 10, Pages 41: Rapid Nondestructive Detection of Water Content and Granulation in Postharvest Shatian Pomelo Using Visible/Near-Infrared Spectroscopy” LINK

” Estimation of moisture in wood chips by Near Infrared Spectroscopy” LINK

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

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

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

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




Raman Spectroscopy

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




Hyperspectral Imaging (HSI)

“Germination Prediction of Sugar Beet Seeds Based on HSI and SVM-RBF” 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




Chemometrics and Machine Learning

“Spectroscopic techniques combined with chemometrics for fast on-site characterization of suspected illegal antimicrobials” LINK

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




Research on Spectroscopy

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




Equipment for Spectroscopy

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




Agriculture NIR-Spectroscopy Usage

“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




Food & Feed Industry NIR Usage

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

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




Other

“On-Site Identification of the Material Composition of PV Modules with Mobile Spectroscopic Devices” LINK





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Spectroscopy and Chemometrics News Weekly #25, 2020

NIR Calibration-Model Services

Using cost saving NIR-Spectroscopy Analysis? You can Save even more Costs and Time! How? Read here | VIS NIR NIRS Spectroscopy LabManager Labs QualityControl CostSaving foodindustry foodproduct Spectrometer Sensor Analytics LINK

Machine Learning for NIR Spectroscopy as a Service, a Game Changer for Productivity and Accuracy/Precision! Use the free NIR-Predcitor software to combine NIRS + Lab data and send your Calibration Request. LabManager Analysis MachineLearning LINK

Spectroscopy and Chemometrics News Weekly 24, 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 24, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 24, 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)

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

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

“Handheld Near-Infrared Spectrometers: Reality and Empty Promises” miniaturization NIRS FTNIR MEMS MOEMS LVFs LINK

BESTCentreLTU research hot off the press: | In collaboration with Assoc. Prof. Kellie Tuck from , we’ve developed new near-infrared emissive electrochemiluminophores for sensing in NIR transparent biological media. LINK

“Near-Infrared Emitter for Bioanalytical Applications” NIR ECL electrochemiluminescence LINK

“Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process” LINK

“New applications of visnir spectroscopy for the prediction of soil properties” LINK

“Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …” LINK

“Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis.” LINK




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

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

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

“Rapid quantitative detection of mineral oil contamination in vegetable oil by 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

“Detection of melamine and sucrose as adulterants in milk powder using near-infrared spectroscopy with DD-SIMCA as one-class classifier and MCR-ALS as a means to provide pure profiles of milk and of both adulterants with forensic evidence” LINK

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

“Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy” LINK

“ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor” LINK

“Should the Past Define the Future of Interpretation of Infrared and Raman Spectra?” LINK

“Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating.” LINK

“Continuously measurement of the dry matter content using near-infrared spectroscopy” LINK

“Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method.” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy.” LINK




Hyperspectral Imaging (HSI)

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

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

“A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves” LINK

“Deep learning applied to hyperspectral endoscopy for online spectral classification” DOI:10.1038/s41598-020-60574-6 LINK

“Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques” LINK




Chemometrics and Machine Learning

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

“Comprehensive Chemometrics – Chemical and Biochemical Data Analysis Reference Work • 2nd Edition • 2020” | books Chemometrics DataAnalysis Chemical Biochemical LINK

“Identification of invisible biological traces in forensic evidences by hyperspectral NIR imaging combined with chemometrics” LINK




Research on Spectroscopy

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK

“Plenary Lecture Methods and Tools for Sensors Information Processing” LINK




Equipment for Spectroscopy

Using NIR scanner to assess grass in sward for composition prior to baling and wrapping for EU LIFE Farm4More project. Thanks to Dinamica Generale for providing the equipment LINK

“Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods” LINK

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




Agriculture NIR-Spectroscopy Usage

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

“Placing Soil Information in the Hands of Farmers” LINK

“Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil” LINK

“Complex Food Recognition using Hyper-Spectral Imagery” LINK




Horticulture NIR-Spectroscopy Applications

” The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures” LINK




Laboratory and NIR-Spectroscopy

“The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement” LINK




Other

LINK



Spectroscopy and Chemometrics News Weekly #21, 2020

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.


NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 20, 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 20, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 20, 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)

“New applications of visnir spectroscopy for the prediction of soil properties” LINK

“Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …” LINK

“Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process” LINK

“Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis.” LINK

“Fiber Content Determination of Linen/Viscose Blends Using NIR Spectroscopy” LINK




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

“ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor” LINK

“Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy” LINK

“Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating.” LINK

“Continuously measurement of the dry matter content using near-infrared spectroscopy” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy.” LINK

“Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method.” LINK

“Near-infrared spectroscopy as a new method for post-harvest monitoring of white truffles” LINK

“Functional Classification of Feed Items in Pampa Grassland, Based on Their Near-Infrared Spectrum” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy” LINK

“Rapid Prediction of Apparent Amylose, Total Starch, and Crude Protein by Near‐Infrared Reflectance Spectroscopy for Foxtail Millet (Setaria italica)” LINK

“A novel CC-tSNE-SVR model for rapid determination of diesel fuel quality by near infrared spectroscopy” LINK




Raman Spectroscopy

“Differentiating cancer cells using Raman spectroscopy (Conference Presentation)” LINK




Hyperspectral Imaging (HSI)

“A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves” LINK

“Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques” LINK

“Deep learning applied to hyperspectral endoscopy for online spectral classification” DOI:10.1038/s41598-020-60574-6 LINK

“Estimating leaf mercury content in Phragmites australis based on leaf hyperspectral reflectance” LINK

“A hyperspectral microscope based on a birefringent ultrastable common-path interferometer (Conference Presentation)” LINK




Chemometrics and Machine Learning

“Identification of invisible biological traces in forensic evidences by hyperspectral NIR imaging combined with chemometrics” LINK

“Sample selection, calibration and validation of models developed from a large dataset of near infrared spectra of tree leaves” Eucalyptus forage quality LINK

“Detection and Assessment of Nitrogen Effect on Cold Tolerance for Tea by Hyperspectral Reflectance with PLSR, PCR, and LM Models” LINK




Equipment for Spectroscopy

“Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods” LINK

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




Environment NIR-Spectroscopy Application

“An Evaluation of Citizen Science Smartphone Apps for Inland Water Quality Assessment” LINK




Agriculture NIR-Spectroscopy Usage

“Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil” LINK

“Complex Food Recognition using Hyper-Spectral Imagery” LINK

“Development of a compact multimodal imaging system for rapid characterisation of intrinsic optical properties of freshly excised tissue (Conference Presentation)” LINK




Horticulture NIR-Spectroscopy Applications

” The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures” LINK




Laboratory and NIR-Spectroscopy

“The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement” LINK

“UV Irradiation and Near Infrared Characterization of Laboratory Mars Soil Analog Samples: the case of Phthalic Acid, Adenosine 5′-Monophosphate, L-Glutamic Acid …” molecular biosignatures; spectroscopy; lifedetection LINK









Spectroscopy and Chemometrics News Weekly #11, 2020

CalibrationModel.com

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

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

Spectroscopy and Chemometrics News Weekly 10, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 10, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

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




Near Infrared

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

“APLIKASI NEAR INFRARED SPECTROSCOPY (NIRS) UNTUK MENGETAHUI KANDUNGAN HARA NITROGEN FOSFOR DAN KALIUM PADA INSTALASI …” LINK

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

“An introduction to handheld infrared and Raman instrumentation” LINK




Hyperspectral

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

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




Chemometrics

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

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

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

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




Equipment

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

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

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




Environment

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

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




Agriculture

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

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

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

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

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

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

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




Food & Feed

“Comparison of sensory evaluation techniques for Hungarian wines” LINK




Laboratory

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





Cost comparison / Price comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy

Reduce Operating Costs and Total Cost of Ownership (TCO) of NIR-Spectroscopy (NIRS) in the Digitalization Age.
NIR-Spectroscopy (NIRS) - Reduce cost, Increase revenue
Reduce Cost by automated NIR development.
Increase Revenue by higher accuracy NIR results.


CalibrationModel.com (CM) versus Others

Costs are not everything, there are other important factors listed in the table.

CM fix € pricing (approx.) Others € Price Range (approx.)
Software
included
Chemometric Package not‑needed
€3500 – €6500 per user
Chemometric Predictor
free‑software
€1500 – €2500 per NIR device
Knowledge
included
Chemometric Training not‑needed
€1500 – €2500 per user
Chemometrician* Salary not‑needed
1 years Salary / year
(+ risk of Employee Turnover)
Computation
included
Powerful Computer (many Processors, lot of RAM for big data) not‑needed
€1500 – €4500 per computer
Development and Usage
Development of a Calibration
€128
€80 – €150 / hour
of Chemometrician* using a Chemometric Software (click and wait) and applying it’s knowledge
Usage of a Calibration
€60 / year
Total €178 in first year
€60 in second year
initial (min €8000 , max €15500)
+ 2 * (2 – 4)(hour to cost same! as CM service) * (€80 – €150) Chemometrician* work
no initial cost
very high initial costs
no personnel cost
high personnel* costs
constant CM services
risk of Employee Turnover
global knowledge
risk of only use personal knowledge
easy to calculate fix cost on demand
difficult to calculate variable cost on demand plus Chemometrician* Recruitment needed
Results :
calibration prediction performance
always reproducible highly optimized
only as good as your Chemometrician* daily condition
better prediction performance, due to best-of 10’000x calibrations
small size of experiments, non-optimal calibrations

See also: pricing

Start Calibrate

*) Personnel / Chemometrician / Data Scientist / Data Analyst / Machine Learning Engineer : We are not against it, we are one of them a long time ago, but the way the work is done is changing (see below).

2019 Digitalization and the Future of Work: Macroeconomic Consequences
2019 The Digitalization of the American Workforce
2017 Digitalization and the American workforce , full-report