Spectroscopy and Chemometrics News Weekly #13, 2021

NIR Calibration-Model Services

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

Spectroscopy and Chemometrics News Weekly 12, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Application Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Service Software Sensors QA QC Testing Quality LINK

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

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




Near-Infrared Spectroscopy (NIRS)

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

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

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

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

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

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

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




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

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

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

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

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

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

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

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

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

“Smart SelfAssembly Amphiphilic CyclopeptideDye for NearInfrared WindowII Imaging” LINK

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

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

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

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

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

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

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

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




Raman Spectroscopy

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




Hyperspectral Imaging (HSI)

” A chemometric view of hyperspectral images” LINK




Chemometrics and Machine Learning

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

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

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

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

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

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

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

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

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

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

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

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




Process Control and NIR Sensors

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




Environment NIR-Spectroscopy Application

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

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




Agriculture NIR-Spectroscopy Usage

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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




Forestry and Wood Industry NIR Usage

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




Food & Feed Industry NIR Usage

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




Pharma Industry NIR Usage

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




Laboratory and NIR-Spectroscopy

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




Other

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

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

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

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





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Spectroscopy and Chemometrics News Weekly #12, 2021

NIR Calibration-Model Services

Develop near infrared spectroscopy applications & freeing up hours of analysts time NIR NIRS QC Lab Laboratories LINK

Reduce Operating Costs & TCO of NIRS NIR-Spectroscopy in the Digitalization Age AnalyticalLabs FoodIndustry FoodScience TestingLab LaboratoryManager LabManager Laboratory Manager qualityassurance AIaaS MLaaS SaaS MachineLearning ML LINK

Spectroscopy and Chemometrics News Weekly 11, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Application Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC QualityTesting 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)

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

“Assessment of frying oil quality by FT-NIR spectroscopy” LINK

“Differentiation between Fresh and Thawed Cephalopods Using NIR Spectroscopy and Multivariate Data Analysis” LINK

“A High Efficiency Trivalent Chromium-Doped Near-Infrared-Emitting Phosphor and Its NIR Spectroscopy Application” LINK

“Machine learning applied as an in-situ monitoring technique for the water content in oil recovered by means of NIR spectroscopy” LINK

“Prediction of a wide range of compounds concentration in raw coffee beans using NIRS, PLS and variable selection” LINK

“Fast and nondestructive determination of simultaneous physicochemical parameters of Manihot esculenta flour using FTNIR spectroscopy and multivariate analysis” LINK

“Intramuscular fat prediction of the semimembranosus muscle in hot lamb carcases using NIR.” LINK

“Fast and non‐destructive determination of simultaneous physicochemical parameters of Manihot esculenta flour using FT‐NIR spectroscopy and multivariate analysis” LINK

“Application of ANOVA-simultaneous component analysis to quantify and characterise effects of age, temperature, syrup adulteration and irradiation on near-infrared (NIR) spectral data of honey” LINK

“Near‐Infrared Spectroscopy (NIRS) and Optical Sensors for Estimating Protein and Fiber in Dryland Mediterranean Pastures” LINK

” Genetic variation of seed phosphorus concentration in winter oilseed rape and development of a NIRS calibration” | LINK

“… condition of leaves during black tea processing via the fusion of electronic eye (E-eye), colorimetric sensing array (CSA), and micro-near-infrared spectroscopy (NIRS)” LINK

“A review of the application of near-infrared spectroscopy (NIRS) in forestry” LINK




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

“Development of a passive optical heterodyne radiometer for near and mid-infrared spectroscopy” LINK

“Investigation of Active Compounds in Black Galingale (Kaempferia parviflora Wall. ex Baker) Using Color Analysis and Near Infrared Spectroscopy Techniques” LINK

” Quality control of milk powder with near-infrared spectroscopy” LINK

” An empirical investigation of deviations from the Beer-Lambert law in near-infrared spectroscopy: A case study of lactate in aqueous solutions, serum, blood and …” LINK

“Understanding the effect of urea on the phase transition of poly (N-isopropylacrylamide) in aqueous solution by temperature- dependent near-infrared spectroscopy” LINK

“Mechanically robust amino acid crystals as fiber-optic transducers and wide bandpass filters for optical communication in the near-infrared” LINK

“Optimal Combination of Band-Pass Filters for Theanine Content Prediction using Near-Infrared Spectroscopy” LINK

“Unlocking the Secrets of Terminalia Kernels Using Near-Infrared Spectroscopy” LINK

“Identification of tomatoes with early decay using visible and near infrared hyperspectral imaging and image‐spectrum merging technique” 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

“Predicting grapevine canopy nitrogen status using proximal sensors and nearinfrared reflectance spectroscopy” LINK

“Sensors, Vol. 21, Pages 1413: The Use of a Micro Near Infrared Portable Instrument to Predict Bioactive Compounds in a Wild Harvested FruitKakadu Plum (Terminalia ferdinandiana)” LINK

“Prediction of specialty coffee flavors based on nearinfrared spectra using machine and deeplearning methods” LINK

“Soil characterization by near-infrared spectroscopy and principal component analysis” LINK

“DISCRIMINATION OF INFECTED SILKWORM CHRYSALISES USING NEAR INFRARED SPECTROSCOPY COMBINED WITH MULTIVARIATE ANALYSIS DURING …” LINK

“Evaluation of melon drying using hyperspectral imaging technique in the near infrared region” LINK




Raman Spectroscopy

“Raman spectroscopy in the detection of adulterated essential oils: The case of nonvolatile adulterants” LINK




Hyperspectral Imaging (HSI)

“Combining Multi-Dimensional Convolutional Neural Network (CNN) With Visualization Method for Detection of Aphis gossypii Glover Infection in Cotton Leaves Using Hyperspectral Imaging” LINK




Chemometrics and Machine Learning

“Detection and quantification of cow milk adulteration using portable near-infrared spectroscopy combined with chemometrics” LINK

” Realizing transfer learning for updating deep learning models of spectral data to be used in a new scenario” LINK

“Employing supervised classification techniques in determining playability status of polyesterurethane magnetic audio tapes” LINK

“Detection of Adulteration in Honey by Infrared Spectroscopy and Chemometrics: Effect on Human Health” LINK

“Rapid Biochemical Methane Potential Evaluation of Anaerobic Co-Digestion Feedstocks Based on Near Infrared Spectroscopy and Chemometrics” LINK

“Application of electronic nose with chemometrics methods to the detection of juices fraud” LINK

“Anisotropic effect on the predictability of intramuscular fat content in pork by hyperspectral imaging and chemometrics” LINK

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




Research on Spectroscopy

“Efficient utilization of date palm waste for the bioethanol production through Saccharomyces cerevisiae strain” LINK

” Spectral data analysis methods for soil properties assessment using remote sensing” DOI: 10.9790/0661-2301011418 LINK




Equipment for Spectroscopy

“Handheld arduino-based near infrared spectrometer for non-destructive quality evaluation of siamese oranges” LINK




Environment NIR-Spectroscopy Application

“Estimation of Soil Salt and Ion Contents Based on Hyperspectral Remote Sensing Data: A Case Study of Baidunzi Basin, China. Water 2021, 13, 559” LINK

“Spectroscopic anatomical mapping of left atrium endocardial substrate and lesion using an optically integrated mapping catheter”LINK

“Predicting the contents of soil salt and major water-soluble ions with fractional-order derivative spectral indices and variable selection” LINK

“Mid-Infrared Spectroscopy Supports Identification of the Origin of Organic Matter in Soils. Land 2021, 10, 215” LINK




Agriculture NIR-Spectroscopy Usage

“Identification and classification of Asian soybean rust using leaf-based hyperspectral reflectance” LINK

“Diagnosis of early blight disease in tomato plant based on visible/near-infrared spectroscopy and principal components analysis-artificial neural network prior to visual …” LINK

“Fourier Transform Infrared Spectroscopy as a Tool to Study Milk Composition Changes in Dairy Cows Attributed to Housing Modifications to Improve Animal Welfare” LINK

“Detection of soil organic matter using hyperspectral imaging sensor combined with multivariate regression modeling procedures” LINK

“Corrigendum to: Optimisation of dry matter and nutrients in feed rations through use of a near-infrared spectroscopy system mounted on a self-propelled feed mixer” LINK

“staling of white wheat bread crumb and effect of maltogenic α-amylases. part 3: spatial evolution of bread staling with time by near infrared hyperspectral imaging” LINK

” Prediction performance of portable near infrared reflectance instruments using preprocessed dried, ground forage samples” LINK




Food & Feed Industry NIR Usage

“Near Infrared (NIR) Spectroscopy as a Tool to Assess Blends Composition and Discriminate Antioxidant Activity of Olive Pomace Cultivars” LINK

“Enhanced moisture loss and oil absorption of deep-fried food by blending extra virgin olive oil in rapeseed oil” LINK




Pharma Industry NIR Usage

“GRAZING PATTERNS, DIET QUALITY, AND PERFORMANCE OF COW-CALF PAIRS GRAZING SHORT GRASS PRAIRIE USING CONTINUOUS OR HIGH …” LINK

“PENDUGAAN KADAR PATCHOULI ALCOHOL PADA MINYAK NILAM HASIL FRAKSINASI MENGGUNAKAN METODE PRINCIPAL COMPONENT REGRESSION” LINK




Medicinal Spectroscopy

“Noninvasive Monitoring of Glucose Using Near-Infrared Reflection Spectroscopy of Skin-Constraints and Effective Novel Strategy in Multivariate Calibration” LINK



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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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





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Spectroscopy and Chemometrics News Weekly #30, 2020

NIR Calibration-Model Services

Development of quantitative Multivariate Prediction Models for Near Infrared Spectrometers | NIRS HSI LINK

Spectroscopy and Chemometrics News Weekly 29, 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 29, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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




Near-Infrared Spectroscopy (NIRS)

“Non-Destructive Determination of Quality Traits of Cashew Apples (Anacardium Occidentale, L.) Using a Portable near Infrared Spectrophotometer” LINK

“Non-destructive classification and prediction of aflatoxin-B1 concentration in maize kernels using Vis–NIR (400–1000 nm) hyperspectral imaging” LINK

“Determination of glucose content with a concentration within the physiological range by FT-NIR spectroscopy in a trans-reflectance mode” LINK

“Evaluating taste-related attributes of black tea by micro-NIRS” LINK




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

“Rapid authentication of Pseudostellaria heterophylla (Taizishen) from different regions by nearinfrared spectroscopy combined with chemometric methods” LINK

“Agronomy, Vol. 10, Pages 828: Estimating Sensory Properties with Near-Infrared Spectroscopy: A Tool for Quality Control and Breeding of Calçots (Allium cepa L.)” LINK

“Spectral observation of agarwood by infrared spectroscopy: The differences of infected and normal Aquilaria microcarpa” LINK

“Quantitative near infrared spectroscopic analysis of Tricholoma matsutake based on information extraction using the elastic net” LINK

“Visible-near infrared spectroscopy for detection of blood in sheep faeces” LINK

” … dans le proche infrarouge et techniques de chimiométrie Detection of addition of barley to coffee using near infrared spectroscopy and chemometric techniques” LINK

“Forests, Vol. 11, Pages 644: A Comparison of the Loading Direction for Bending Strength with Different Wood Measurement Surfaces Using Near-Infrared Spectroscopy” LINK

“Rapid assessment of soil condition in Kenya through development of near infrared spectral indicatators” LINK




Chemometrics and Machine Learning

“Determination of apple varieties by near infrared reflectance spectroscopy coupled with improved possibilistic Gath–Geva clustering algorithm” LINK

“Two-Dimensional Correlation Spectroscopy: The Power of Power Spectra” LINK

“Simple and fast spectrophotometric method based on chemometrics for the measurement of multicomponent adsorption kinetics” LINK

“Real time detection of amphetamine in oral fluids by MicroNIR/Chemometrics.” LINK

“In‐vitro digestion of the bioactives originating from the Lamiaceae family herbal teas: A kinetic and PLS modeling study” LINK

“Models for predicting the within-tree and regional variation of tracheid length and width for plantation loblolly pine” LINK




Research on Spectroscopy

“Study on rapid quality analysis method of Shengxuebao Mixture” LINK

“MD dating: molecular decay (MD) in pinewood as a dating method” LINK

Altersbestimmung von Holz mittels FTIR-Spektroskopie: Durch die Zusammenarbeit von Holz-, Materialwissenschaftler*innen und Statistikern konnte nach über 70 Jahren eine dritte Datierungsmethode neben der Jahrringanalyse und der Radiokarbonmethode im… LINK




Equipment for Spectroscopy

“Quality assessment of instant green tea using portable NIR spectrometer.” LINK




Process Control and NIR Sensors

“From powder to tablets: Investigation of residence time distributions in a continuous manufacturing process train as basis for continuous process verification” LINK

“Non-destructive, non-invasive, in-line real-time phase-based reflectance for quality monitoring of fruit” LINK




Agriculture NIR-Spectroscopy Usage

“Estimating soil organic carbon density in Northern China’s agro-pastoral ecotone using vis-NIR spectroscopy” LINK

“Retrieval of aboveground crop nitrogen content with a hybrid machine learning method” LINK

“Prediction of Soil Oxalate Phosphorus using Visible and Near-Infrared Spectroscopy in Natural and Cultivated System Soils of Madagascar” LINK

“Sensors, Vol. 20, Pages 3208: Precise Estimation of NDVI with a Simple NIR Sensitive RGB Camera and Machine Learning Methods for Corn Plants” LINK

“The application of R language in the selection of characteristic bands for the prediction of protein content in milk powder by Near Infrared Spectroscopy” LINK

“Onsite nutritional diagnosis of tea plants using micro near-infrared spectrometer coupled with chemometrics” LINK




Horticulture NIR-Spectroscopy Applications

“Improving the accuracy of near-infrared (NIR) spectroscopy method to predict the oil content of oil palm fresh fruits” LINK




Laboratory and NIR-Spectroscopy

“Non-destructive determination of apple quality parameters of variety’red jonaprince’using near infrared spectroscopy.” LINK

“Laboratory Methods for Evaluating Forage Quality” LINK




Other

“Automatic Walnut Sorting System Based on Adaptive Fuzzy Control” LINK

“Industrial gas chromatographs” LINK





Spectroscopy and Chemometrics News Weekly #29, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 28, 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 28, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 28, 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)

“Non-invasive method to identify the type of green tea inside teabag using NIR spectroscopy, support vector machines and Bayesian optimization” LINK

“Online milk composition analysis with an on-farm near-infrared sensor” LINK

“Anonymous fecal sampling and NIRS studies of diet quality: Problem or opportunity?” LINK

“Organic and Symbiotic Fertilization of Tomato Plants Monitored by Litterbag-NIRS and Foliar-NIRS Rapid Spectroscopic Methods Running title: Litterbag-NIRS and Foliar-NIRS model in symbiotic tomato” LINK

“Determination of crude protein and metabolized energy with near infrared reflectance spectroscopy (NIRS) in ruminant mixed feeds” LINK




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

“Near Infrared Spectroscopy as an efficient tool for the Qualitative and Quantitative Determination of Sugar Adulteration in Milk” | LINK

“NEAR INFRARED SPECTROSCOPY AS A NEW FIRE SEVERITY METRIC” by Bushfire and Natural Hazards CRC LINK

“Near-infrared spectroscopy for the concurrent quality prediction and status monitoring of gasoline blending” LINK

“Application of Selective Near Infrared Spectroscopy for Qualitative and Quantitative Prediction of Water Adulteration in Milk” LINK

“Predicting Macronutrient of Baby Food using Near-infrared Spectroscopy and Deep Learning Approach” LINK

“Detection of heat treatment of honey with near infrared spectroscopy” LINK

“Use of near infrared spectroscopy in cotton seeds physiological quality evaluation” LINK

“Detection of Haemonchus contortus nematode eggs in sheep faeces using near and mid-infrared spectroscopy” LINK

“Feasibility of using near-infrared measurements to detect changes in water quality” LINK




Hyperspectral Imaging (HSI)

“Hyperspectral waveband selection algorithm based on weighted maximum relevance minimum redundancy and its stability analysis” LINK




Chemometrics and Machine Learning

“Comparative quantification of chlorophyll and polyphenol levels in grapevine leaves sampled from different geographical locations” LINK

“Screening method for determination of C18:1 trans fatty acids positional isomers in chocolate by 1H NMR and chemometrics” LINK

“Combination of efficient signal pre-processing and optimal band combination algorithm to predict soil organic matter through visible and near-infrared spectra” LINK

“A chemometric approach to the evaluation of the ageing ability of red wines” LINK

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

“A Feasible Approach to Detect Pesticides in Food Samples Using THz-FDS and Chemometrics” LINK

“Prediction of Soluble Solids Content in Green Plum by Using a Sparse Autoencoder” LINK




Process Control and NIR Sensors

“Real-time and field monitoring of the key parameters in industrial trough composting process using a handheld near infrared spectrometer” LINK




Environment NIR-Spectroscopy Application

“Detection and analysis of soil water content based on experimental reflectance spectrum data” LINK

” International Soil and Water Conservation Research” | LINK




Agriculture NIR-Spectroscopy Usage

“Detecting Low Concentrations of Nitrogen-Based Adulterants in Whey Protein Powder Using Benchtop and Handheld NIR Spectrometers and the Feasibility of Scanning through Plastic Bag.” LINK

“Assessment of the genetic diversity of sweetpotato germplasm collections for protein content” LINK

“Near-infrared spectroscopy and imaging in protein research” LINK

“Foods, Vol. 9, Pages 710: Application of ATR-FT-MIR for Tracing the Geographical Origin of Honey Produced in the Maltese Islands” LINK

“Agriculture, Vol. 10, Pages 193: Content of Polyphenolic Compounds and Antioxidant Potential of Some Bulgarian Red Grape Varieties and Red Wines, Determined by HPLC, UV, and NIR Spectroscopy” LINK

“Agronomy, Vol. 10, Pages 787: Assessing Soil Key Fertility Attributes Using a Portable X-Ray Fluorescence: A Simple Method to Overcome Matrix Effect” LINK




Food & Feed Industry NIR Usage

“Non‑destructive testing technology for raw eggs freshness: a review” LINK

“Quantification of multiple adulterants in beef protein powder by FT-NIR” LINK




Beverage and Drink Industry NIR Usage

“Beer Aroma and Quality Traits Assessment Using Artificial Intelligence” LINK




Other

“Tetrahedral Mn4+ as chromophore in sillenite-type compounds” LINK




How to start building a NIR Calibration (a NIR prediction model)?

With at least 60-100 different NIR measured samples with different Lab values
we can develop a quantitative NIR Calibration for you!

You don’t need to operate with expensive Chemometric Software.
Don’t worry, prices are inexpensive for that and all software you need is included.
Price comparison

The free NIR-Predictor software allows to combine your measured NIR-Spectra with the Lab values of the samples. And checks your data and creates a Calibration Request file for you. NIR-Predictor Info

With that you can order your individual customized calibration, by sending the Calibration Request file to info@CalibrationModel.com.

After processing you will get an Email with a link to access your customize calibrations in our WebShop where you can purchase and download the calibration file immediately
for use in the included free NIR-Predictor software to get results predicted out of spectra files. NIR-Predictor software

For your Calibration start-up cycle we provide low-price short living calibrations, that work for e.g. 3 or 6 months. Pricing

During that Calibration usage time you have measured more samples and collected more NIR and Lab data to build a bigger and better calibration.
E.g. you got samples that extend the range of the constituents.
Or you have collected the Lab values of additional constituents.

Yes out of an measured NIR-Spectrum you can get multiple constituents predicted at the same time (a quantitative calibration per constituent is needed).

And NIR-Predictor does handle this with ease and creates NIR Prediction Reports (printable, archive-able) of all the calibrations you have in folder named with e.g. “MyFruitApplication”.

And having multiple such applications, in NIR-Predictor you can easily switch between the applications for analyzing new NIR spectra files.

The NIR spectra files are found from the stored or exported folder from your NIR-Spectrometer software. supported File Formats



NIR Calibration Service explained


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