Spectroscopy and Chemometrics News Weekly #9, 2021

NIR Calibration-Model Services

How to Develop Chemometric Near-Infrared Spectroscopy Calibrations in the 21st Century? LINK

Spectroscopy and Chemometrics News Weekly 8, 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 8, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 8, 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)

” Profiling Mannheimia haemolytica infection in dairy calves using near infrared spectroscopy (NIRS) and multivariate analysis (MVA)” LINK

“Feasibility of Using VIS/NIR Spectroscopy and Multivariate Analysis for Pesticide Residue Detection in Tomatoes” LINK

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

“Monitoring the Bacterial Response to Antibiotic and Time Growth Using Near-infrared Spectroscopy Combined with MachineLearning” LINK

“Reducing the Moisture Effect and Improving the Prediction of Soil Organic Matter With VIS-NIR Spectroscopy in Black Soil Area” LINK

“Nirs tools for prediction of main extractives compounds of teak (Tectona grandis L.) heartwood” LINK




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

“Using near-infrared spectroscopy to determine moisture content, gel strength, and viscosity of gelatin” LINK

“Forensic potentiality of near-infrared in the geographical discrimination of Astrocaryum aculeatum Oil” LINK

“Anomaly detection during milk processing by autoencoder neural network based on near-infrared spectroscopy” LINK

“Infrared Spectroscopy of Blood” LINK

“Using a Portable Near-infrared Spectroscopy Device to Estimate The Second Ventilatory Threshold.” LINK

“Prediction of Specialty Coffee Flavors Based on NearInfrared Spectra Using Machine and Deep Learning Methods” LINK

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

“Prediction of Diet Quality in Mongolian Livestock with Portable near Infrared Spectroscopy Offeces” LINK

“Application of Fourier Transform Near-infrared Spectroscopy combined with Gas Chromatograpy in rapid and simultaneous determination of essential components in …” LINK

“Evaluation of swelling properties and drug release from mechanochemical pre-gelatinized glutinous rice starch matrix tablets by near infrared spectroscopy” LINK

“Rapid Screening of Mentha spicata Essential Oil and l-Menthol in Mentha piperita Essential Oil by ATR-FTIR Spectroscopy Coupled with Multivariate Analyses” LINK

“Application of Fourier transform near-infrared spectroscopy combined with GC in rapid and simultaneous determination of essential components in Amomum villosum.” LINK

“A Hybrid Variable Selection Strategy of Near Infrared Spectroscopy for Detection the Ratio of Tea Polyphenols to Amino Acids in Green Tea Infusion” LINK




Hyperspectral Imaging (HSI)

“Identification of Weeds Based on Hyperspectral Imaging and Machine Learning” | LINK

“AI-based hyperspectral and VOCs assessment approach to identify adulterated extra virgin olive oil” | LINK




Chemometrics and Machine Learning

“Trends in artificial intelligence, machine learning, and chemometrics applied to chemical data” LINK

“Detection of camellia oil adulteration using chemometrics based on fatty acids GC fingerprints and phytosterols GC-MS fingerprints” LINK

“Exploring two-trace two-dimensional (2T2D) correlation spectroscopy as an effective approach to improve accuracy of discriminant analysis by highlighting asynchronous features in two separate spectra of a sample” LINK

“Self-Cleaning-Mediated SERS Chip Coupled Chemometric Algorithms for Detection and Photocatalytic Degradation of Pesticides in Food” LINK

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




Agriculture NIR-Spectroscopy Usage

“Biochemical methane potential prediction for mixed feedstocks of straw and manure in anaerobic co-digestion” LINK

” Effective Quantification of Tannin Content in Sorghum Grains Using Near-infrared Spectroscopy” LINK

“Continuous blending monitored and feedback controlled by machine vision-based PAT tool.” LINK

“Near-Infrared Hyperspectral Imaging Spectroscopy to Detect Microplastics and Pieces of Plastic in Almond Flour” | in-almond-flour LINK




Horticulture NIR-Spectroscopy Applications

“Fast, simultaneous and contactless assessment of intact mango fruit by means of near infrared spectroscopy [J]” LINK




Food & Feed Industry NIR Usage

“Predictive Ability of Four SmallScale Quality Tests for Dough Rheological Properties and Baking Quality in Hard Red Spring Wheat” LINK

“Improved prediction of minced pork meat chemical properties with near-infrared spectroscopy by a fusion of scatter- correction techniques” LINK




Laboratory and NIR-Spectroscopy

“Improving performance: a collaborative strategy for the multi-data fusion of electronic nose and hyperspectral to track the quality difference of rice” LINK




Other

“Effect of different levels of fertilization on bean biochemical composition in Coffea arabica cv. Rubi” LINK





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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 #48, 2020

NIR Calibration-Model Services

Do you use Molecular Spectroscopy with Multivariate Regression Models? That will save you development time LINK

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

Spectroscopy and Chemometrics News Weekly 47, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

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



Near-Infrared Spectroscopy (NIRS)

“Influence of forage particle size and residual moisture on near infrared reflectance spectroscopy (NIRS) calibration accuracy for macro-mineral determination” LINK

“Rapid detection of adulteration in Dendrobium Huoshanense using NIR spectroscopy coupled with chemometric methods” LINK

“Using near-infrared spectroscopy to discriminate closely related species: A case study of neotropical ferns” LINK

“Temperature-dependent, VIS-NIR reflectance spectroscopy of sodium sulfates” LINK




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

“Using near-infrared spectroscopy to determine intramuscular fat and fatty acids of beef applying different prediction approach.” LINK

“Estimating the sensory qualities of tomatoes using visible and near-infrared spectroscopy and interpretation based on gas chromatography–mass …” LINK

“Near Infrared Spectroscopy-Based Evaluation of Patellar Tendon and Knee Ligaments” LINK

“Predictive capacity of some wood properties by near-infrared spectroscopy” LINK

“Predicting Marian Plum Fruit Quality without Environmental Condition Impact by Handheld Visible–Near-Infrared Spectroscopy” LINK

“Near infrared reflectance spectroscopy to quantify Perkinsus marinus infecting Crassostrea virginica” LINK

“Application of genetic algorithm and multivariate methods in detection and measurement of milk‐surfactant adulteration by attenuated total reflection and near‐infrared spectroscopy” LINK

“Classifying Thermal Degradation of Polylactic Acid by Using Machine Learning Algorithms Trained on Fourier Transform Infrared Spectroscopy Data” LINK

“Classification Option for Korean Traditional Paper Based on Type of Raw Materials, Using Near-infrared Spectroscopy and Multivariate Statistical Methods” LINK

“Rapid and simultaneous quality analysis of the three active components in Lonicerae Japonicae Flos by near-infrared spectroscopy” LINK

“Determination of Adenosine and Cordycepin Concentrations in Cordyceps militaris Fruiting Bodies Using Near-Infrared Spectroscopy” LINK

“Application of near-infrared hyperspectral imaging for variety identification of coated maize kernels with deep learning” LINK




Hyperspectral Imaging (HSI)

Konica Minolta to acquire Specim, the leading global supplier of hyperspectral imaging.   “Konica Minolta shares our vision and values and will greatly support our business through improved sell-through,” said Tapio Kallonen, CEO of Specim LINK

“Research on Citrus grandis Granulation Determination Based on Hyperspectral Imaging through Deep Learning” LINK

Wavelength Selection Method Based on Partial Least Square from Hyperspectral Unmanned Aerial Vehicle Orthomosaic of Irrigated Olive Orchards” LINK




Chemometrics and Machine Learning

“Fractional order modeling and recognition of nitrogen content level of rubber tree foliage” LINK

“Development of multi-product calibration models of various root and tuber powders by fourier transform near infra-red (FT-NIR) spectroscopy for the quantification of …” LINK

“Detection and Quantification of Tomato Paste Adulteration Using Conventional and Rapid Analytical Methods” LINK

“Prediction of Acidity Level of Avomango (Gadung Klonal 21) Using Local Polynomial Estimator” LINK

“A comparison of 4 different machine learning algorithms to predict lactoferrin content in bovine milk from mid-infrared spectra” LINK

“Spectrometric Classification of Bamboo Shoot Species by Comparison of Different Machine Learning Methods” LINK

Supporting the Sensory Panel to Grade Virgin Olive Oils: An In-House-Validated Screening Tool by Volatile Fingerprinting and Chemometrics” LINK




Process Control and NIR Sensors

“A Process Analytical Concept for In-Line FTIR Monitoring of Polysiloxane Formation” Polymers LINK




Agriculture NIR-Spectroscopy Usage

“Vis–NIR spectroscopy: from leaf dry mass production estimate to the prediction of macro-and micronutrients in soybean crops” LINK

“Comparison of benchtop and handheld near‐infrared spectroscopy devices to determine forage nutritive value” LINK




Food & Feed Industry NIR Usage

“Rapid Authentication of 100% Italian Durum Wheat Pasta by FT-NIR Spectroscopy Combined with Chemometric Tools” LINK

“Identification of Corn Seeds with Different Freezing Damage Degree Based on Hyperspectral Reflectance Imaging and Deep Learning Method” LINK

“Near-and mid-infrared determination of some quality parameters of cheese manufactured from the mixture of different milk species” LINK

“Portable NIR spectrometer for quick identification of fat bloom in chocolates.” LINK




Laboratory and NIR-Spectroscopy

“A Novel Spectral Matching Approach for Pigment: Spectral Subsection Identification Considering Ion Absorption Characteristics” LINK




Other

“Development of a novel quantitative function between spectral value and metmyoglobin content in Tan mutton” LINK

” 基于稀疏网络的可见光/近红外反射光谱土壤有机质含量估算” LINK

“基于可见-近红外光谱的茄子叶绿素荧光参数 Fv/Fm 预测方法” LINK

“A Miniaturized and Fast System for Thin Film Thickness Measurement” LINK

“Molecular spectroscopy with optical frequency combs” LINK