Spectroscopy and Chemometrics News Weekly #11, 2020

CalibrationModel.com

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

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

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

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

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




Near Infrared

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

“An introduction to handheld infrared and Raman instrumentation” LINK




Hyperspectral

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

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




Chemometrics

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

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

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

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




Equipment

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

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

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




Environment

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

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




Agriculture

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

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

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

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

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

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

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




Food & Feed

“Comparison of sensory evaluation techniques for Hungarian wines” LINK




Laboratory

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





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In other words

Calibration Model simplifies the process of training machine learning models for NIRS data while providing an opportunity to trying different algorithms and applied near-infrared spectroscopy (NIRS) knowledge. It’s more than an AutoML platform, it’s a full service where you can download the optimal model and its describing Calibration Report that provide insights into the data preparation, feature engineering, model training, and hyperparameter tuning.

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

CalibrationModel.com (CM) versus Others

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

CM fix € pricing 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

Spectroscopy and Chemometrics News Weekly #46, 2019

CalibrationModel.com

Use Calibration Model for your customized NIR Applications. Start Optimizing now! | NIRS Spectroscopy QAQC quality LINK

Pro Tip: NIR Calibration is the Key to Accurate NIRS Measurement LINK

Spectroscopy and Chemometrics News Weekly 45, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Analysis Lab Labs Laboratories Laboratory Sensors QA QC Testing Quality Checking MachineLearning ML Software LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 45, 2019 | NIRS NIR Spektroskopie Spektrometer Sensor Nahinfrarot Analytik Lab Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse laboratoryequipment ML Software LINK

Spettroscopia e Chemiometria Weekly News 45, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK


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

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




Chemometrics

“Comparison of Multivariate Regression Models Based on Water- and Carbohydrate-Related Spectral Regions in the Near-Infrared for Aqueous Solutions of Glucose.” LINK

” PREDICTION OF SOIL PCBs CONTENT IN A HISTORICALLY CONTAMINATED SITE OF THE SIN OF TARANTO (SOUTHERN ITALY)” LINK

“Robust Fourier transformed infrared spectroscopy coupled with multivariate methods for detection and quantification of urea adulteration in fresh milk samples” LINK

“Comparative Analysis of Non-Destructive Prediction Model of Soluble Solids Content for Malus micromalus Makino Based on Near-Infrared Spectroscopy” LINK

“Determination of SSC in pears by establishing the multi-cultivar models based on visible-NIR spectroscopy” LINK

“Chemometrics-assisted calibration transfer strategy for determination of three agrochemicals in environmental samples: Solving signal variation and maintaining second-order advantage” LINK

“Semi-Supervised Learning in Multivariate Calibration” LINK

“Assessing heavy metal concentrations in earth-cumulic-orthic-anthrosols soils using Vis-NIR spectroscopy transform coupled with chemometrics.” LINK




Near Infrared

“以近紅外光技術量測葡萄之花青素含量” “Evaluation of Anthocyanin Contents in Grapes Using NIR Spectroscopy” LINK




Infrared

“Improvement of proximate data and calorific value assessment of bamboo through near infrared wood chips acquisition” LINK

“Effect of peeling and point of spectral recording on sucrose determination in sugar beet root using near infrared spectroscopy” sugarbeet LINK




Raman

“Raman Spectral Analysis for Non-invasive Detection of External and Internal Parameters of Fake Eggs” LINK




Hyperspectral

“Investigation into crystal size effect on sodium chloride uptake and water activity of pork meat using hyperspectral imaging” LINK

“Detection of the Chemical Agents Based on Hyperspectral Data Analysis” LINK




Agriculture

“Performance of optimized hyperspectral reflectance indices and partial least squares regression for estimating the chlorophyll fluorescence and grain yield of wheat …” LINK

“Prediction of Soil Nutrient Contents Using Visible and Near-Infrared Reflectance Spectroscopy” LINK

“Detection of viability of soybean seed based on fluorescence hyperspectra and CARS-SVM-AdaBoost model” LINK




Other

“Laser irradiation behavior of plasma-sprayed tantalum oxide coatings” LINK

“On the Way to Efficient Analytical Measurements: The Future of Robot-Based Measurements” LINK

“Identification of Cannabis sativa L. (hemp) Retailers by Means of Multivariate Analysis of Cannabinoids” LINK

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

Spectroscopy and Chemometrics News Weekly #41, 2019

CalibrationModel.com

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 40, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensors Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse Prozess LINK

Spectroscopy and Chemometrics News Weekly 40, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spettroscopia e Chemiometria Weekly News 40, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodels process LINK

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

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



Chemometrics

“Quantification and classification in process analytics using hyperspectral imaging” LINK

“Predicting Lipid, Caffeine And Chlorogenic Acid” LINK

“Comparison of Analytical Ability of PLS and SVM Algorithm in Estimation of Moisture Content, Higher Heating Value, and Lower Heating Value of Cassava Rhizome Ground using FT-NIR Spectroscopy” LINK

“Comprehensive comparison of multiple quantitative near-infrared spectroscopy models for” LINK

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




Near Infrared

“Rapid and nondestructive fraud detection of palm oil adulteration with Sudan dyes using portable NIR spectroscopic techniques.” LINK

“Feasibility of the Detection of Carrageenan Adulteration in Chicken Meat Using Visible/Near-Infrared (Vis/NIR) Hyperspectral Imaging” LINK

“Determination of the bruise degree for cherry using Vis-NIR reflection spectroscopy coupled with multivariate analysis.” LINK

“Impacts of the Extreme Conditons of Environments on RNA’s structure and function from the Avocado Sunblotch Viroid: Applicaton of NIR Spectroscopy and a Baro-Bio …” LINK

“Comparative study of commercial cold-cuts used NIRS and sensory analysis” LINK

“Prediction of digestibility and net energy of pig feeds by combined NIRS-spectra from feed and faeces” LINK

“Precision test for the spectral characteristic of FT-NIR for the measurement of water content of wheat straw” LINK




Infrared

” Surface Functionality and Water adsorption studies of alpha aluminium (111) oxide nanoparticles by Near Infrared Spectroscopy” LINK

” Quantitative genetic parameters for growth and wood properties in Eucalyptus’ urograndis’ hybrid using near-infrared phenotyping and genome-wide SNP-based relationships” LINK

“Meat freshness evaluation using visible to near-infrared spectroscopy (Conference Presentation)” LINK




Raman

“Raman Spectroscopy and Cancer Diagnosis” LINK




Equipment

“An integrated broadband spectrometer on thin-film lithium niobate” LINK




Environment

“Prediction of soil available water-holding capacity from visible near-infrared reflectance spectra” LINK




Agriculture

“Potential of VNIR spectroscopy for prediction of clay mineralogy and magnetic properties, and its paleoclimatic application to two contrasting Quaternary soil deposits” LINK

“A New Plant Indicator (Artemisia lavandulaefolia DC.) of Mercury in Soil Developed by Fourier-Transform Near-Infrared Spectroscopy Coupled with Least Squares …” LINK




Food & Feed

“Chocolate Quality Assessment Based on Chemical Fingerprinting Using Near Infra-red and Machine Learning Modeling” Foods LINK

“Prediction of Talc Content in Wheat Flour Based on a Near-Infrared Spectroscopy Technique.” LINK





Spectroscopy and Chemometrics News Weekly #33, 2019

CalibrationModel.com

SAFE COST IN MAINTAINING NIR-SPECTROSCOPY METHODS | NIRSpectroscopy NIRS Spectroscopy DigitalTransformation Analysis Lab Laboratory Application Quantitative Analysis Methods Measurements Analytical Parameters Spectrometer Quality Accuracy LINK

Spectroscopy and Chemometrics News Weekly 32, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 32, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LaborNIR LINK

Spettroscopia e Chemiometria Weekly News 32, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction NIRmodels LINK

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




Chemometrics

“Predicting the dry matter intake of grazing dairy cows using infrared reflectance spectroscopy analysis.” LINK

“Simultaneous determination of food colorants in liquid samples by UVVisible spectroscopy and multivariate data analysis using a reduced calibration matrix” LINK

“Coupling MicroNIR / Chemometrics for the on-site detection of cannabinoids in hemp flours” LINK

“Calibration and Characterization of Hyperspectral Imaging Systems Used for Natural Scene Imagery” LINK

“Analysis of wood thermal degradation using 2D correlation of near infrared and visible-light spectroscopy” LINK

“Rapid method for the quantification and identification of emerging compounds in wastewater based in nir spectroscopy and chemometrics” LINK

“Predicting the dry matter intake of grazing dairy cows using infrared reflectance spectroscopy analysis” |(19)30642-3/fulltext LINK




Near Infrared

“Application of Artificial Neural Networks (ANN) Coupled with Near-InfraRed (NIR) Spectroscopy for Detection of Adulteration in Honey” LINK

“Statistical Analysis of Amylose and Protein Content in Landrace Rice Germplasm Collected from East Asian Countries Based on Near-Infrared Reflectance Spectroscopy (NIRS)” LINK

“Identification of wheat kernels by fusion of RGB, SWIR, and VNIR samples.” LINK

“Purity analysis of multi-grain rice seeds with non-destructive visible and near-infrared spectroscopy” LINK

“Development of a methodology to analyze leaves from Prunus dulcis varieties using near infrared spectroscopy.” LINK

“Analysis of hydration water around human serum albumin using near-infrared spectroscopy” LINK

“Real-time Biomass Characterization in Energy Conversion Processes using Near Infrared Spectroscopy-A Machine Learning Approach” LINK

“Support vector machine regression on selected wavelength regions for quantitative analysis of caffeine in tea leaves by near infrared spectroscopy” LINK

“Near Infrared Reflectance Spectroscopy to analyze texture related characteristics of sous vide pork loin.” LINK

“Estimation of the Alcoholic Degree in Beers through Near Infrared Spectrometry Using Machine Learning” LINK

“The quantitative detection of botanical impurities contained in seed cotton with near infrared spectroscopy method” LINK




Raman

New post: Raman spectroscopy may make thyroid cancer diagnosis less invasive | Raman spectroscopy thyroid cancer LINK




Optics

“A multi-pixel diffuse correlation spectroscopy system based on a single photon avalanche diode array.” LINK




Agriculture

“The acute influence of sucrose consumption with and without vitamin C co-ingestion on microvascular reactivity in healthy young adults” vitaminC LINK

“Identification and characterization of a fast-neutron-induced mutant with elevated seed protein content in soybean” LINK

“Quantitative analysis and hyperspectral remote sensing of the nitrogen nutrition index in winter wheat” LINK




Food & Feed

“Multidimensional scaling assisted Fourier-transform Infrared spectroscopic analysis of fruit wine samples: Introducing a novel analytical approach” LINK





Spectroscopy and Chemometrics News Weekly #32, 2019

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 31, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 31, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysemethode Nahinfrarotspektroskopie Laboranalyse Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 31, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore analitica Laboratorio analisi prova qualità Analysesystem prediction models Calibrazione LINK




Chemometrics

“Near infrared spectroscopic investigation of lipid oxidation in model solid food systems” LINK

Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics, published in Food Chemistry, is now OpenAccess via LINK

“Recent Progress in Rapid Analyses of Vitamins, Phenolic, and Volatile Compounds in Foods Using Vibrational Spectroscopy Combined with Chemometrics: a Review” LINK

” Beef Tenderness Prediction by a Combination of Statistical Methods: Chemometrics and Supervised Learning to Manage Integrative Farm-To-Meat Continuum Data” Foods LINK

“P-Wave VisibleShortwaveNear-Infrared (Vis-SW-NIR) Detection System for the Prediction of Soluble Solids Content and Firmness on Wax Apples” LINK

“Model development for soluble solids and lycopene contents of cherry tomato at different temperatures using near-infrared spectroscopy” LINK




Near Infrared

“Preliminary Assessment of Visible, Near-Infrared, and Short-Wavelength-Infrared Spectroscopy with a Portable Instrument for the Detection of Staphylococcus aureus Biofilms on Surfaces.” LINK

” Inline monitoring of powder blend homogeneity in continuous drug manufacture using near infrared spectroscopy” LINK

“Nondestructive real-time assessment of sausage quality based on visible-near infrared spectrographic technique” LINK

“Lipid oxidation degree of pork meat during frozen storage investigated by near-infrared hyperspectral imaging: Effect of ice crystal growth and distribution” LINK

“High prevalence of cholesterol-rich atherosclerotic lesions in ancient mummies: A near-infrared spectroscopy study” LINK

“Application of Infrared Spectroscopy for Functional Compounds Evaluation in Olive Oil: A Current Snapshot” LINK

“Towards online Near-Infrared spectroscopy to optimise food product mixing” LINK




Hyperspectral

“Estimation of chlorophyll content in intertidal mangrove leaves with different thicknesses using hyperspectral data” LINK

“Snapshot Multispectral and Hyperspectral Data Processing for Estimating Food Quality Parameters” LINK




Environment

“Field Spectroscopy: A Non-Destructive Technique for Estimating Water Status in Vineyards” LINK

“Optical detection of contamination event in water distribution system using online Bayesian method with UVVis spectrometry” LINK




Agriculture

“GrassQ-A holistic precision grass measurement and analysis system to optimize pasture based livestock production” LINK

“Monitoring of Nitrogen and Grain Protein Content in Winter Wheat Based on Sentinel-2A Data” Remote Sensing LINK

“Identification and characterization of a fast-neutron-induced mutant with elevated seed protein content in soybean.” LINK

“Sensors, Vol. 19, Pages 3147: NIR Hyperspectral Imaging Technology Combined with Multivariate Methods to Study the Residues of Different Concentrations of Omethoate on Wheat Grain Surface” LINK




Food & Feed

“Multi-target Prediction of wheat flour quality parameters with near infrared spectroscopy” LINK




Other

” Spectroscopic determination of leaf chlorophyll content and color for genetic selection on Sassafras tzumu” LINK

Record-breaking new analytical method for fingerprinting petroleum and other complex mixtures LINK

A record-breaking 244,779 molecular compositions within a sample of petroleum have been assigned using a powerful method of analysing and ‘fingerprinting’ chemical mixtures developed by at . Read more: LINK

“Optical properties of living corals determined with diffuse reflectance spectroscopy” LINK





Spectroscopy and Chemometrics News Weekly #30, 2019

CalibrationModel.com

Are you a Analytical Spectroscopist using NearInfraRed (NIR)? This is for you | QA QC Food Feed Lab Biotech LINK

Spectroscopy and Chemometrics News Weekly 29, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 29, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodels LINK

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




Chemometrics

“Study on the Relationship Model between Drying Time and Moisture Content of Coco-peat” LINK

“Combining attenuated total reflectance- infrared spectroscopy and chemometrics for the identification and the dosage estimation of MDMA tablets” LINK

Raman spectroscopy and chemometrics: A potential universal method for … LINK

“AUTOMATIC PREDICTION OF LEAVE CHEMICAL COMPOSITIONS BASED ON NIR SPECTROSCOPY WITH MACHINE LEARNING” LINK




Near Infrared

In Press: High prevalence of cholesterol-rich atherosclerotic lesions in ancient mummies: A near-infrared spectroscopy study. LINK

“Maintaining the predictive abilities of tea moisture content models on different environment based on Visible and Near-Infrared spectroscopy technique” LINK

“Classification of commercial charcoal for domestic use by near infrared spectroscopy” LINK

“Fast determination of oxides content in cement raw meal using NIR-spectroscopy and backward interval PLS with genetic algorithm” LINK

“Prediction of Soil Lead Content Using Visible and Near-Infrared Spectroscopy” LINK

“Cultivar Classification of Single Sweet Corn Seed Using Fourier Transform Near-Infrared Spectroscopy Combined with Discriminant Analysis” LINK

“FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts” FTNIR LINK

“Prediction of soluble solid content, vitamin C, total acid and firmness in astringent persimmon (Diospyros kaki L.) cv. Rendeu using NIR spectroscopy” LINK

Near-infrared spectroscopy, has detected cholesterol-rich plaques in arterial samples in ancient mummies.These earlier-stage lesions from different geographical areas, suggests atherosclerosis has been present in humans since ancient times.| ☆ LINK

Karl Norris: Father of NIR Spectroscopy. We are sad to announce that Karl Norris passed away peacefully on 17 July 2019 at the age of 98. Nearinfrared LINK

“Pengembangan Model Jaringan Syaraf Tiruan untuk Penentuan Kandungan Kimia Biji Kopi Arabika Gayo dengan NIRS” LINK




Infrared

“Pharmaceutical formulation analysis of a gelatin-based soft capsule film sheet containing phytic acid using near-infrared spectroscopy” LINK

“Non-destructive testing technology of sugar content in Huapi kumquat by near infrared spectroscopy.” LINK

“Determination of the Lignocellulosic Components of Olive Tree Pruning Biomass by Near Infrared Spectroscopy” LINK

“The quantitative detection of botanical impurities contained in seed cotton with near infrared spectroscopy method” LINK




Process Control

“Controlling Moisture Content of Natural Fibres in RTM-Process” LINK




Environment

“MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers” LINK




Food & Feed

“Rapid fraud detection of cocoa powder with carob flour using near infrared spectroscopy” LINK

“A Novel Approach to Measure the Total Antioxidant Power of Wines through Near Infrared Spectroscopy and Its Relevance in Human Nutrition” LINK




Other

“Investigation on optical and mechanical properties of an organic single crystal: Guanidinium 4-aminobenzene sulfonate” LINK

“Microsoft to invest $1 billion in OpenAI” LINK

“[ZITATION][C] Research of Portable Tea Polyphenols Detector” LINK





Spectroscopy and Chemometrics News Weekly #29, 2019

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 28, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 28, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 28, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week’s NIR news Weekly is sponsored by YourCompanyNameHere – BestNIRinstruments. Check out their product page … link




Chemometrics

Distinguishing donor age groups via Raman spectroscopic analysis of whole blood & chemometrics! research by Kyle C. Doty & Igor K. Lednev : | LINK

“Variable selection by double competitive adaptive reweighted sampling for calibration transfer of near infrared spectra” LINK

“Intuitive Visualization of Outlier Detection Methods” LINK

“Comparison of three different classification methods performance for the determination of biofuel quality by means of NIR spectroscopy” LINK

” Predicting the quality of ryegrass using hyperspectral imaging” LINK

“A Clustering-Based Partial Least Squares Method for Improving the Freshness Prediction Model of Crucian Carps Fillets by Hyperspectral Image Technology” LINK

” Hyperspectral Uncertainty Quantification by Optimization” LINK




Near Infrared

“Hardwood Species Classification with Hyperspectral Microscopic Images” LINK

” Vibrational Spectroscopy and Chemometrics in Forensic Chemistry: Critical Review, Current Trends and Challenges” LINK

“Combining Fourier Transform MidInfrared Spectroscopy with Chemometric Methods to Detect Adulterations in Milk Powder.” LINK

“Comparison of Cation Exchange Capacity Estimated from Vis-NIR Spectral Reflectance Data and a Pedotransfer Function” LINK



“Modeling of Fatty Acid Methyl Esters, Monoglycerides, Triglycerides and Diglycerides in Rapeseed Oil Biodiesel by Near Infrared Spectroscopy” LINK

“Predicting the contents of polysaccharides and its monosugars in Dendrobium huoshanense by partial least squares regression model using attenuated total reflectance Fourier transform infrared spectroscopy” LINK

“Fast determination of oxides content in cement raw meal using NIR spectroscopy with SPXY algorithm” LINK

“Application of near infrared spectroscopy and chemometrics for the analysis of nutraceuticals in South Africa” LINK


Infrared

“Determination of total sugar content in Siraitia grosvenorii by near infrared diffuse reflectance spectroscopy with wavelength selection techniques” LINK

“How to Measure Coating Thickness of Tablets: Method Comparison of Optical Coherence Tomography, Near-infrared Spectroscopy and Weight-, Height- and Diameter Gain.” LINK




Hyperspectral

“Spectral difference analysis and identification of different maturity blueberry fruit based on hyperspectral imaging using spectral index” LINK




Optics

Focus on photonics, spectroscopy, and spectrometry LINK




Equipment

“Sensors, Vol. 19, Pages 2995: Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices” LINK

“Miniaturized analytical platform for cocaine detection in oral fluids by MicroNIR/Chemometrics.” LINK

“Handheld near-infrared spectrometer for on-line monitoring of biodiesel production in a continuous process” LINK




Environment

“Optimized Multivariate Analysis for the Discrimination of Cucumber Green Mosaic Mottle Virus-Infected Watermelon Seeds Based on Spectral Imaging” LINK




Agriculture

“Non-destructive screening method for detecting the presence of insects in sorghum grains using near infrared spectroscopy and discriminant analysis” LINK

” NIR hyperspectral imaging with multivariate analysis for measurement of oil and protein” LINK




Pharma

“Development and Validation of In-line Near-Infrared Spectroscopy Based Analytical Method for Commercial Production of a Botanical Drug Product” LINK

In-line monitoring of powder blend homogeneity in continuous drug manufacture using near infrared spectroscopy (with PDF) pharmaceutical binder excipients LINK




Laboratory

“The essential role of omni-capable research laboratories in advancing analytical spectroscopy” LINK




Other

“How to Build Disruptive DataScience Teams: 10 Best Practices” LINK





NIR Method Development Service for Labs and NIR-Vendors (OEM)


CalibrationModel.com ia a perfect match for
    – NIR Vendors    , selling NIR            , with limited capacity for NIR method development
    – Labs                , using NIR            , with limited capacity for NIR method development
    – small Labs        , starting with NIR , with no or less Chemometric knowledge


The Triple to success :
faster better analytics
    LAB Reference Analytics + NIR Spectroscopy + ChemoMetrics
    LAB + NIR +
CM
    => use CM as a Service : CalibrationModel


NIR Method Development : Before / After
    Before
    – The
need of a chemometric software ($$)
    – The
need of expert training courses (time,$$)
    – The
need of manual expert work (time,$$$)
    with
CalibrationModel
    – The
freedom without a chemometric software
    – The
freedom without being an expert
    – The
freedom of using a Service ($)
    =>
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Workflow:
    Cloud Service
        DATA ->
CalibrationModel -> CALIB
                    fix cost, pay per CALIB development and usage

    Local Usage (no internet connection)
        DATA -> CALIB +
Predictor -> RESULT
                                included, no extra cost

    DATA = exported
Spectra and (Lab-)reference values as JCAMP-DX format
    CALIB = single quantitative property


Sending DATA
    DATA is sent by email, 2-3 days later, receive email with link to
      WebShop to purchase CALIB with PayPal/CreditCard
    DATA is
deleted after processing (Terms of Service TOS)
    optional: JCAMP
Anonymizer (removes sensitive information) before sending DATA


As Middleman you can
hide/cover the Service
    Customer <————————> CalibrationModel
                            or
    Customer <–>
Middleman <–> CalibrationModel
                        NIR Company
                        NIR Sales, Consultancy


Riskless Predictor OEM integration (in NIR-Vendors Instrument Software)
    Predictor is included at
no extra cost (for software licenses and development kit (SDK))
    Predictor as a
hidden second engine (second Heart)
    Windows .NET, easy programming interface (API)


Ownership
    
DATA owner -> CALIB owner ==> use as your Pre-CALIB
    CALIB is licensed to owner and so copy protected
    The owner can Re-License a CALIB to others
    owner can
re-sell CALIBs in its own WebShop with own prices


Re-Calibration
    DATA + DATA -> CALIB    same easy workflow as    DATA -> CALIB
    optimize from scratch, benefit from complete optimization possibilities
    
learn more
NIR-Predictor Software