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





Spectroscopy and Chemometrics News Weekly #49, 2019

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 48, 2019 | NIRS NIR Spectroscopy machinelearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Check LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 48 2019 | NIRS NIR Spektroskopie MachineLearning Spektrometer SmartSensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 48, 2019 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem datascience prediction 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 (NIR)

“Development of near infrared reflectance spectroscopy (NIRS) calibration model to estimate the forage quality of shrub species” LINK

“Estimation and classification of popping expansion capacity in popcorn breeding programs using NIR spectroscopy” LINK

“Authentication of liquid egg composition using ATR-FTIR and NIR spectroscopy in combination with PCA” LINK

“Non-Destructive Method for Predicting Sapodilla Fruit Quality Using Near Infrared Spectroscopy” LINK

“Discrimination of white teas produced from fresh leaves with different maturity by near-infrared spectroscopy” LINK

“AI and InfraRed Spectroscopy to Accelerate Malaria Control” LINK

“Near infrared spectroscopic data for rapid and simultaneous prediction of quality attributes in intact mango fruits.” LINK

“Reflectance Properties of Brown Mass Dyed Poly (ethylene terephthalate) Filament Yarns in the Visible-near Infrared Region” LINK

” The contribution of Visible Near Infrared Reflectance spectroscopy to colour determination: the case of the experimental ceramic briquettes” | Mineralogy, Petrology, Economic GeologyLINK

“Non-destructive measurement of soluble solids content of three melon cultivars using portable visible/near infrared spectroscopy” LINK

” Predicting plant available phosphorus using infrared spectroscopy with consideration for future mobile sensing applications in precision farming” LINK

“Molecules, Vol. 24, Pages 3900: Antioxidant Activity of Blueberry (Vaccinium spp.) Cultivar Leaves: Differences Across the Vegetative Stage and the Application of Near Infrared Spectroscopy” LINK




Hyperspectral

“A novel hyperspectral line-scan imaging method for whole surfaces of round shaped agricultural products” LINK

“Setting up a methodology to distinguish between green oranges and leaves using hyperspectral imaging” LINK

“Early detection of tomato spotted wilt virus infection in tobacco using the hyperspectral imaging technique and machine learning algorithms” LINK

“The Future of Hyperspectral Imaging” LINK

“Soil fertility status assessment using hyperspectral remote sensing” LINK




Chemometrics / Machine Learning

“Authentication of PGI Gragnano Pasta by Near Infrared (NIR) spectroscopy and chemometrics” LINK

” Prediction of Salt in Soil by PLS Regression Using Hyperspectral Laboratory Data” LINK

“Measurement of quality parameters of sugar beet juices using near-infrared spectroscopy and chemometrics” LINK

“Classification of oolong tea varieties based on hyperspectral imaging technology and BOSS-LightGBM model” LINK

“Analytical and sensory data correlation to understand consumers’ grape preference” LINK




Process Control

” A review on mechanisms, screening and engineering for pest resistance in sugarcane (Saccharum spp)” LINK




Environment

“Visible and Near-Infrared Reflectance Spectroscopy Analysis of Soils” LINK

“Spektroradyometre teknigi ile toprak özelliklerinin belirlenmesi; Harran Ovasi cullap sulama birligi alani örnegi/Determination of soil properties using …” LINK




Agriculture

” Assessing plant performance in the Enviratron” LINK

“Broad near infrared spectroscopy calibrations can predict the nutritional value of over one hundred forage species within the Australian feedbase” LINK




Other

“The study of combustion characteristics of corn stalks and cobs via TGA-DTG-DSC analysis” LINK

” Gravimetric and Spectrophotometric Determination of Surface Wax Content in Maize Kernels” LINK

“Detection of Multi-frozen and Single-frozen Fish Using Optical Spectroscopy” LINK





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

Start Calibrate – NIR Quick Guide

Quick Start NIR Workflow: step by step

1. Check if your NIR-Device Data Format is directly supported (anyway you can convert to JCAMP) : NIR-Predictor supported Spectral Data File Formats

2. Download the free NIR-Predictor Software that contains demo data so you can play with it to see if it is the way you want analyse your NIR spectra (no registration needed) : NIR-Predictor Download

3. With your “NIR device” measurement software:

  • measure samples with NIR, that gets you spectra files,
  • label them with a proper sample name, so you know which is which,
  • and determine quantitative reference values by Laboratory reference method.
  • at least 60 samples with different contents is needed for a minimal calibration.
  • NIR-Predictor helps to create a template file (.csv) to enter the Lab values.

4. Creating your own Calibrations with NIR-Predictor to combine your NIR and Lab data for a calibration request : watch Video read Manual



Videos


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 #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





Spectroscopy and Chemometrics News Weekly #27, 2019

CalibrationModel.com

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 26, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spectroscopy and Chemometrics News Weekly 26, 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 26, 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 YourCompanyNameHere – BestNIRinstruments. Check out their product page … link

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




Chemometrics

“Non-destructive Classification for Maturity of Pomelo CV. Tubtim Siam” Brix LINK

“Authentication of “Avola Almonds” by Near Infrared (NIR) Spectroscopy and chemometrics” LINK

“Feature selection based convolutional neural network pruning and its application in calibration modeling for NIR spectroscopy” LINK

” Geographical origin traceability of Cabernet Sauvignon wines based on Infrared fingerprint technology combined with chemometrics” LINK




Near Infrared

“Compositional Analysis of Cement Raw Meal by Near-Infrared (NIR) Spectroscopy” LINK

A joint project by researchers from and IMB_CNM will explore the possibility of developing silicon sensors for near-infrared light detection with single photon resolution funded by the LINK

“Molecular (Raman, NIR, and FTIR) spectroscopy and multivariate analysis in consumable products analysis” LINK

“Influences of Detection Position and Double Detection Regions on Determining Soluble Solids Content (SSC) for Apples Using On-line Visible/Near-Infrared (Vis/NIR) …” LINK

“Non-destructive determination of strawberry fruit and juice quality parameters using ultraviolet, visible, and near infrared spectroscopy” LINK

“Determination of API Gravity and Total and Basic Nitrogen Content by Mid-and Near-Infrared Spectroscopy in Crude Oil with Multivariate Regression and Variable Selection” LINK

“Selecting Near-infrared Hyperspectral Wavelengths Based on One-way ANOVA to Identify the Origin of Lycium Barbarum” LINK

“Rapid and Nondestructive Measurement of Rice Seed Vitality of Different Years Using Near-Infrared Hyperspectral Imaging.” LINK

“Rapid estimation of soil heavy metal nickel content based on optimized screening of near-infrared spectral bands” LINK

“Distinguishing watermelon maturity based on acoustic characteristics and near infrared spectroscopy fusion technology” LINK

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

“Rapid fingerprinting technology of heavy oil spill by Mid-infrared spectroscopy” LINK

“Evaluation of high alcohol concentration using a 1.7-µm band near-infrared spectroscopy system using multi-mode optical fibers” LINK




Raman

“Journal Highlight: Raman Open Database: first interconnected RamanXray diffraction openaccess resource for material identification” LINK




Equipment

“Water as a probe for serum-based diagnosis by temperature-dependent near-infrared spectroscopy” LINK




Process Control

“Detecting special-cause variation ‘events’ from process data signatures” LINK




Environment

“Soil macrofauna and leaf functional traits drive the decomposition of secondary metabolites in leaf litter” LINK




Agriculture

“Plants, Vol. 8, Pages 205: Comparison of Sugar Profile between Leaves and Fruits of Blueberry and Strawberry Cultivars Grown in Organic and Integrated Production System” LINK

“Sensors, Vol. 19, Pages 2934: Combining Fourier Transform Mid-Infrared Spectroscopy with Chemometric Methods to Detect Adulterations in Milk Powder” LINK

“Utilising near-infrared hyperspectral imaging to detect low-level peanut powder contamination of whole wheat flour” LINK




Chemical

“All Donor Electrochromic Polymers Tunable across the Visible Spectrum via Random Copolymerization” LINK




Other

“Effet du moment d’acquisition des spectres proche infrarouge sur la qualité de prédiction du taux de lipides et du taux de fonte du foie gras chez le canard” LINK

“Investigation of the prevalence and characterisation of infection by Kudoa thyrsites and K. paniformis in South African marine fish species” LINK





Spectroscopy and Chemometrics News Weekly #26, 2019

CalibrationModel.com

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

Spectroscopy and Chemometrics News Weekly 25, 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 25, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensoren Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 25, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK




Chemometrics

“X-ray fluorescence and visible near infrared sensor fusion for predicting soil chromium content” LINK

“Staling of white wheat bread crumb and effect of maltogenic a-amylases. Part 2: Monitoring the staling process by using near infrared spectroscopy and chemometrics” LINK

“Rapid and Nondestructive Quantification of Trimethylamine by FT-NIR Coupled with Chemometric Techniques” Fish quality LINK

“Prediction of yerba mate caffeine content using near infrared spectroscopy” LINK

“Journal Highlight: A new flow cell and chemometric protocol for implementing inline Raman spectroscopy in chromatography” LINK

Teaching Machine Learning at the moment and a student asks whether “PCA” stands for “Pretty Cool Algorithm” after I apparently used that phrase… That should really have been deliberate (it wasn’t). I will never use “Principal Component Analysis” again. PrettyCoolAlgorithm LINK

“A screening method based on Visible-NIR spectroscopy for the identification and quantification of different adulterants in high-quality honey.” LINK

“Chemometric studies of the effects of milk fat replacement with different proportions of vegetable oils in the formulation of fat-filled milk powders: Implications for quality assurance.” LINK

“Comparison of Bayesian and partial least squares regression methods for mid-infrared prediction of cheese-making properties in Montbéliarde cows” LINK

“NIR model transfer of alkali-soluble polysaccharides in Poria cocos with piecewise direct standardization” LINK

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

“Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV-vis spectroscopy” LINK

“Geographical origin traceability of Cabernet Sauvignon wines based on Infrared fingerprint technology combined with chemometrics.” LINK

“Determination of Adulteration Content in Extra Virgin Olive Oil Using FT-NIR Spectroscopy Combined with the BOSSPLS Algorithm” LINK




Near Infrared

“NIR-based Sudan I to IV and Para-Red food adulterants screening.” Paprika adulteration LINK

“Nondestructive detection of rape leaf chlorophyll level based on Vis-NIR spectroscopy.” LINK

“High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel” | New phenomics paper from Ge, Schnable, Sigmon and Yang labs of & LINK

High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel LINK

“Estimating dry matter and fat content in blocks of Swiss cheese during production using on-line near infrared spectroscopy” LINK

“Temperature-dependent near-infrared spectroscopy for studying the interactions in protein aqueous solutions” LINK

” 滑皮金桔糖度的近红外光谱无损检测技术.” “Non-destructive testing technology of sugar content in Huapikumquat by near infrared spectroscopy” LINK

“Grading and Sorting of Grape Berries Using Visible-Near Infrared Spectroscopy on the Basis of Multiple Inner Quality Parameters” LINK

“Modified silver nanoparticles enhanced single drop micro extraction of tartrazine in food samples coupled with diffuse reflectance Fourier transform infrared spectroscopic analysis” LINK

“Multicolor lanthanide-doped CaS and SrS near-infrared stimulated luminescent nanoparticles with bright emission: application in broad-spectrum lighting, information coding, and bio-imaging.” LINK

“The use of mid-infrared spectra to map genes affecting milk composition” |(19)30485-0/fulltext?rss=yes LINK




Raman

“Semi-Automated Heavy-Mineral Analysis by Raman Spectroscopy” Minerals LINK




Hyperspectral

“Discrimination of astringent and deastringed hard Rojo Brillante persimmon fruit using a sensory threshold by means of hyperspectral imaging” LINK

“Remote Sensing, Vol. 11, Pages 1485: Tensor Based Multiscale Low Rank Decomposition for Hyperspectral Images Dimensionality Reduction” LINK




Agriculture

“Applied Sciences, Vol. 9, Pages 2472: Comparison of Raman and Mid-Infrared Spectroscopy for Real-Time Monitoring of Yeast Fermentations: A Proof-of-Concept for Multi-Channel Photometric Sensors” LINK

“Agronomy, Vol. 9, Pages 293: Field Spectroscopy to Determine Nutritive Value Parameters of Individual Ryegrass Plants” LINK




Pharma

“Quantification of Inkjet-Printed Pharmaceuticals on Porous Substrates Using Raman Spectroscopy and Near-Infrared Spectroscopy” LINK




Laboratory

“Adapted-Consumer-Technology Approach to Making Near-Infrared-Reflectography Visualization of Paintings and Murals Accessible to a Wider Audience” – Journal of Chemical Education 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 ($)
    =>
work smart, not hard


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