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

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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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Spectroscopy and Chemometrics News Weekly #3, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 2, 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 2, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 2, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“On the discrimination of soil samplesby derivative diffuse reflectance UV-Vis-NIR spectroscopy and Chemometric methods” LINK

“Quantitative Analysis of Organic Acids in Pomelo Fruit using FT-NIR Spectroscopy Coupled with Network Kernel PLS Regression” LINK

“Determination of foliar nitrogen in oil palm with spectroscopy in the middle infrared (MIR) and near infrared (NIR) by the method of regression of partial least squares of …” LINK

“Low-cost handheld NIR spectroscopy for identification of organic solvents and low-level quantification of water contamination.” LINK

“Prediction of Andrographolide Content in Andrographis paniculata Using NIR Spectroscopy” LINK

“Non-Destructive Prediction of Moisture Content of Philippine Coffea arabica and Coffea liberica Green Beans Using Locally-Developed NIR Spectroscopy Instrument” LINK

“Rapid and nondestructive evaluation of soluble solids content (SSC) and firmness in apple using Vis–NIR spatially resolved spectroscopy” LINK

“Detection of Flavor Adulterated Pu”er Tea by Near-Infrared Spectroscopy” LINK




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

“Near infrared spectroscopy model for analyzing chemical composition of biomass subjected to Fenton oxidation and hydrothermal treatment” LINK

“Texture evaluation of cooked parboiled rice using nondestructive milled whole grain near infrared spectroscopy” LINK

“Hyperspectral measurement of skin reflectance detects differences in the visible and nearinfrared regions according to race, gender, and body site.” LINK

“Effects of polymer molecular weight on curcumin amorphous solid dispersion; at-line monitoring system based on attenuated total reflectance mid-infrared and near-infrared spectroscopy” LINK

“Near-infrared hyperspectral imaging for monitoring the thickness distribution of thin poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) layers.” LINK

“Improved prediction of potassium and nitrogen in dried bell pepper leaves with visible and near-infrared spectroscopy utilising wavelength selection techniques” LINK

“Identification of Aspergillus species in human blood plasma by infrared spectroscopy and machine learning” LINK

“PLS-DA and Infrared Spectroscopy based rapid and non-destructive discrimination of black ball and gel pen inks for forensic application” forensic LINK

” Analysis of Glycated Hemoglobin by Near-Infrared Spectroscopy” LINK




Hyperspectral Imaging (HSI)

“Spectral feature selection from hyperspectral dataset to identify pistachio leaves infected by Psylla” LINK




Chemometrics and Machine Learning

“Classification of Megathyrsus maximus Accessions Grown in The Colombian Dry Tropical Forest by Nutritional Assessment during contrasting seasons” LINK

“A global calibration model for prediction of intramuscular fat and pH in red meat using hyperspectral imaging” LINK

“Application of near-infrared spectroscopy and chemometrics for the rapid quality assessment of Sargassum fusiforme” LINK

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

“An efficient tea quality classification algorithm based on near infrared spectroscopy and random Forest” LINK

“NIR spectroscopy fruit quality detection algorithm based on the least angle regression model” LINK




Process Control and NIR Sensors

“Free radical detection in water after processing by means of high voltage electrical discharges and high power ultrasound” LINK




Environment NIR-Spectroscopy Application

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




Agriculture NIR-Spectroscopy Usage

“Design of storage time identification system of lettuce based on Adaboost” LINK




Horticulture NIR-Spectroscopy Applications

“Determination of pectin in peach fruit by Fourier transform near infrared spectroscopy.” LINK




Food & Feed Industry NIR Usage

“Lipid and Protein Oxidation Marker Compounds in Horse Meat Determined by MIR Spectroscopy” LINK




Beverage and Drink Industry NIR Usage

“Physical and Chemical Effects of Different Working Gases in Coffee Brewing: A Case Study of Caffè Firenze” LINK

“Simultaneous Determination of Caffeine and Taurine in Energy Drinks by FT-MIR Spectroscopy Coupled with Multivariate Analysis” LINK




Laboratory and NIR-Spectroscopy

“Accurate confidence intervals for inter-laboratory calibration and common mean estimation” LINK




Other

“Alteration in the Amount of Glomalin in Transition from Forest to Field/Meadow” 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 #39, 2020

NIR Calibration-Model Services

Safe Cost and Time with new NIR Model Development and Maintenance in the Analytical Testing Laboratory. | NIRS NIR instruments Spectrometer Infrared Spectroscopy Food Feed Dairy Sample Analysis Analytical Testing Laboratory LINK

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

Spectroscopy and Chemometrics News Weekly 38, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK




Near-Infrared Spectroscopy (NIRS)

“Determination of green pea and spinach adulteration in pistachio nuts using NIR spectroscopy” LINK

“Improved prediction of ‘Kent’ mango firmness during ripening by near-infrared spectroscopy supported by interval partial least square regression” LINK

“Phytochemical composition and variability in Quercus ilex acorn morphotypes as determined by NIRS and MS-based approaches” LINK

“FT-NIR spectroscopy and RP-HPLC combined with multivariate analysis reveals differences in plant cell suspension cultures of Thevetia peruviana treated with …” LINK

“Combination of Convolutional Neural Networks and Recurrent Neural Networks for predicting soil properties using Vis–NIR spectroscopy” LINK

“Non-destructive determination of the main chemical components of red dragon fruit peel flour by using Near-Infrared Reflectance Spectroscopy (NIRS)” LINK

“Comparative VIS and NIR Raman and FTIR Spectroscopy of Lunar Analog Samples” LINK

“NearInfrared spectroscopy (NIRS) applications for high throughput phenotyping (HTP) for cassava and yam: A review” LINK

“Near infrared spectroscopy for rapid determination of solids content of amino resins” LINK




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

“Dual-slope imaging in highly scattering media with frequency-domain near-infrared spectroscopy.” LINK

“Non-destructive measurement of apple internal quality by using near-infrared spectroscopy” | LINK

“Feasibility Study on Use of Near Infrared Spectroscopy for Rapid and Non-Destructive Determination of Gossypol Content in Intact Cottonseeds” LINK

“NEAR INFRARED SPECTROSCOPY FOR SEPARATION OF TAUARI WOOD IN BRAZILIAN AMAZON NATIVE FOREST” LINK

“The use of infrared spectroscopy and machine learning tools for detection of Meloidogyne infestations” LINK

“simultaneous determination of moisture and berberine content in Coptidis Rhizoma and Phellodendri Chinensis Cortex by near-infrared spectroscopy” LINK




Raman Spectroscopy

Epic video for OpenRAMAN to celebrate first year on Patreon! LINK




Hyperspectral Imaging (HSI)

“Hyperspectral Imaging Coupled with Multivariate Analysis and Image Processing for Detection and Visualisation of Colour in Cooked Sausages Stuffed in Different …” LINK




Spectral Imaging

Point of care (POC) testing is designed to diagnose patients in the field, rather than in a medical facility. Ocean Insight offers highly integrated multispectral sensors reduces the complexity, footprint and cost of PCR instrumentation. Learn more: LINK




Chemometrics and Machine Learning

“Probabilistic classification models for the in situ authentication of Iberian pig carcasses using Near Infrared Spectroscopy” LINK

“Application of Chemometrics in Biosensing: A Brief Review” Biosensors LINK

“Rapid monitoring approaches for concentration process of lanqin oral solution by near-infrared spectroscopy and chemometric models.” LINK

“Establishment of Near-Infrared Prediction Models for Toluene Insoluble Substance and Other 3 Indexes of Medium Temperature Coal Pitch” LINK

“Modified selfadaptive model for improving the prediction accuracy of soil organic matter using laserinduced breakdown spectroscopy” LINK

“A Comparative Study of PLSR and SVM-R with Various Preprocessing Techniques for the Quantitative Determination of Soluble Solids Content of Hardy Kiwi Fruit by a Portable Vis/NIR Spectrometer.” LINK

“A Brief History of Whiskey Adulteration and the Role of Spectroscopy Combined with Chemometrics in the Detection of Modern Whiskey Fraud” LINK




Research on Spectroscopy

“Continuous and real-time indoor and outdoor methane sensing with portable optical sensor using rapidly pulsed IR LEDs.” LINK




Equipment for Spectroscopy

“OpenRAMAN: Open-Source Raman Spectrometer in 1 day” Raman Spectroscopy 3Dprinting LINK

“Nondestructive authentication of the regional and geographical origin of cocoa beans by using a handheld NIR spectrometer and multivariate algorithm.” LINK




Future topics in Spectroscopy

“Artificial Intelligence-as-a-Service Market-Growth, Trends, and Forecast (2020-2025)” ArtificialIntelligence AIaaS MarketGrowth LINK




Process Control and NIR Sensors

“Real Time Monitoring of Quality Attributes by Inline Fourier Transform Infrared Spectroscopic Sensors at Ultrafiltration and Diafiltration of Bioprocess” LINK




Agriculture NIR-Spectroscopy Usage

“Application of advanced molecular spectroscopy and modern evaluation techniques in canola molecular structure and nutrition property research” LINK

“Sensors, Vol. 20, Pages 4645: Wavelength Selection FOR Rapid Identification of Different Particle Size Fractions of Milk Powder Using Hyperspectral Imaging” LINK

“Role of Near Infrared Spectroscopy in Agriculture” LINK

“Comparison between synthetic and rosemary-based antioxidants for the deep frying of French fries in refined soybean oils evaluated by chemical and non-destructive …” LINK




Forestry and Wood Industry NIR Usage

“Phenotypic techniques and applications in fruit trees: a review.” LINK




Food & Feed Industry NIR Usage

“Rapid screening of DON contamination in whole wheat meals by Vis/NIR spectroscopy and computer vision coupling technology” LINK





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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

Professional Development of NIR‑Spectroscopic Chemometric Calibration Models as a Service

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



From your NIR + Lab data, we develop optimal NIR-Calibrations for you.
  • For any NIR spectrometer.
  • You don’t need a Chemometric or Math software!
It’s Your Data and Your Calibration.
  • You can anonymize your NIR + Lab data before sending.
  • We delete your NIR + Lab data after processing.
  • Only you get download access to your Calibrations.
Download the Calibrations.
  • You can see the Calibrations performance statistics.
  • You can try the Calibrations before you buy.
  • Fix cost per Calibration development and use. Paid on download.
Use the free NIR-Predictor Software tooling to
  • Check which of your NIR Spectral Data Formats is supported.
  • Combine your NIR + Lab data and create your Calibration Request.
  • Use your Calibrations to create Analysis Reports from new NIR data of measured samples.


For all NIR Spectrometers.

Use our included free NIR-Predictor software to create results!
Now new with native File Format support of mobile NIR instruments!

With the NIR-Predictor software,
you can use your NIRS calibration files locally and offline.

That means you can predict as much NIR data as you want,
at full speed without waiting at no extra cost
(it’s NOT a cloud prediction where you pay per result).

The NIR-Predictor shows which samples should be sent to the laboratory for reference analysis in order to complete the data for the next calibration.
This minimizes the laboratory effort and further costs. This is based on the fact that sample spectra that are foreign to the calibration are marked as outliers in the prediction report generated by the NIR-Predictor. This way, these samples can be analyzed in the laboratory and used to enhance the NIR + Lab data.


You don’t need a Chemometric Software.

NIR Calibration Service explained

See detailed Price List


Start Calibrate


Benefit

It Enables

Videos


WHAT

WHY

HOW

Our Knowhow

Why you can Trust us

  • Try before you buy with : free NIR-Predictor software included
  • Off-line predictions with NIR-Predictor, your data will not go into the cloud.
  • Data Privacy :
    General Data Protection Regulation (GDPR)
    Datenschutz-Grundverordnung (DSGVO)
  • We delete your data after processing : Terms of Service
  • Optionally data can be anonymized : Anonymizer Software
  • Swiss Quality Service and Software made in Switzerland
          
What our service provides is also known as:
  • NIR chemometric analytical method development
  • NIR chemometric analysis method development
  • NIR Spectrometric analytical method development
  • NIR Spectroscopic analytical method development
  • NIR spectrometry analytical method development
  • NIR spectrometry analysis method development
  • NIR Spectroscopic Analysis Methods Development
  • NIR spectral analysis methods development
  • NIR Spectrometry Analysis Methods Development
  • NIR Spectroscopy Analysis Methods Creation
  • Development of chemometric analysis methods in the NIR range
  • Development of chemometric analysis methods in the NIRS range
  • NIR Spectrometric analytical method development
  • NIR Spectrometric Analysis Method Development
  • NIRS Spectroscopic Analysis Method Development
  • NIR Development of spectroscopic analysis methods
  • Development of analytical methods of NIR spectrometry
  • NIR spectrometry analysis method development

We make NIR Chemometrics easy

Hi, we’re CalibrationModel. Our aim is to transform your NIR data to superior calibration models. We do this by using knowledge driven software applying good practices and rules from literature, publications, regulatory guidelines and more. Our service is used by NIR specialists to deliver a valuable model for their NIR analysis measurements. With CalibrationModel services, NIR specialists can find out how their NIR Data can be robust and optimally modeled by which data preprocessing and wavelength selection, etc. You can implement CalibrationModel in a matter of minutes using our contact form and send your NIR data to receive optimized model settings as a blueprint.

NIR specialists (Spectroscopist, Chemometricians) love perfect models. They’re curious about how to improve their models even further, because all NIR models need continuous maintenance and updates.


Using CalibrationModel services, NIR Specialists can deliver real value to their measurement results through powerful model optimization capabilities.


CalibrationModel
We make NIR Chemometrics easy.

Near-Infrared Data Modeling Calibration Service