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





NIR Calibration Service explained

Our Service is different

  • We build the optimal quantitative prediction models for your NIR analytical needs (No need for mathematical/statistical model building software usage at your site).
  • The NIR-Predictor software and the calibration models are at your site. No internet connection needed to our service. You can do unlimited predictions, that allows fast measurement cycles with no extra cost (Not payed per prediction).
  • You own your data and the calibrations. You can have access to the detailed Calibration Report with all the settings and statistics (No Black-Box Models).

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Get NIR Calibrations - Workflow
Your 4 steps to the applicable NIR calibration:
  1. Download free NIR-Predictor here
  2. Combine NIR-Spectra with Lab-Reference values, see Video for 2. and 3. (manual)
  3. Create a Calibration Request and sent it to info@CalibrationModel.com (CM)
  4. After processing you will get a link to the Web Shop to download the calibrations.



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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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Spectroscopy and Chemometrics News Weekly #4, 2020

CalibrationModel.com

5 Mistakes to Avoid on Digitalization in NIR-Spectroscopy – that Lab Managers, Executives and CEOs must know! NIRSpectroscopy NIRS Sensors NearInfrared Analyzers DigitalTransformation QualityControl foodtech machinelearning AI DataScience LINK

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

Spectroscopy and Chemometrics News Weekly 3, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing QualityCheck LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 3, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 3, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel 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

“APPLICATION OF NIRS TECHNOLOGY TO PREDICT MINOR COMPONENTS IN RAW AND PROCESSED POTATOES” LINK

“A new application of NIR spectroscopy to describe and predict purees quality from the non-destructive apple measurements” LINK

” Deep Learning Application for Predicting Soil Organic Matter Content by VIS-NIR Spectroscopy” LINK

“Faecal-NIRS for predicting digestibility and intake in cattle: efficacy of two calibration strategy” LINK

“Predicting the dry bulk density of soils across Denmark: Comparison of single-parameter, multi-parameter, and vis–NIR based models” LINK

“Deep Learning Application for Predicting Soil Organic Matter Content by VIS-NIR Spectroscopy” LINK

“Moisture Content Prediction System of Dried Sea Cucumber (Beche-de-mer) Based on Visual Near-Infrared Imaging” LINK

“Crude protein prediction of heterogeneous mountain grassland with visible-near-infrared spectroscopy” LINK

“Extended multiplicative signal correction for FTIR spectral quality test and pre-processing of infrared imaging data” LINK

“Understanding the complexity of the structures in alcohol solutions by temperature-dependent near-infrared spectroscopy.” LINK

“Journal Highlight: Digital bandstop filtering in the quantitative analysis of glucose from nearinfrared and midinfrared spectra” LINK

“O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression.” LINK

“Application of near-infrared spectroscopy and class-modeling to antibiotic authentication.” LINK

“Estimation of Protein and Fatty Acid Composition in ShellIntact Cottonseed by Near Infrared Reflectance Spectroscopy” LINK




Raman

“Fiber-Array-Based Raman Hyperspectral Imaging for Simultaneous, Chemically-Selective Monitoring of Particle Size and Shape of Active Ingredients in Analgesic …” LINK

“Surface-enhanced Raman spectroscopy with partial least squares regression for rapid and accurate detection of malachite green in aquaculture water using large-size gold nanoparticles” LINK




Hyperspectral

“Non-destructive assessment of the myoglobin content of Tan sheep using hyperspectral imaging” LINK

“A partial least squares-based approach to assess the light penetration depth in wheat flour by near infrared hyperspectral imaging” LINK

“Development the On-line Rice flour Discrimination Technology Using Hyperspectral Imaging System” LINK




Chemometrics

“Glycerol’s generalized two-dimensional correlation IR/NIR spectroscopy and its principal component analysis.” LINK

“NIR Spectroscopy Coupled with Chemometrics as a Tool for Quality Analysis of Beer Samples” LINK

” Comparison of Multi-Factor-Considered Blood Glucose Prediction Models by Near-Infrared Spectroscopy” LINK

“On-line species identification of green hem-fir timber mix based on near infrared spectroscopy and chemometrics” LINK




Future

“Emerging trends of advanced sensor based instruments for meat, poultry and fish quality – a review” LINK




Process Control

“Multi-block SO-PLS approach based on infrared spectroscopy for anaerobic digestion process monitoring” LINK




Environment

“Application of Vis-NIR spectroscopy for determination the content of organic matter in saline-alkali soils” LINK




Agriculture

“Rapid differentiation of Piper methysticum (kava) plant parts using single point and imaging vibrational spectroscopy” LINK

“High-throughput field phenotyping traits of grain yield formation and nitrogen use efficiency: Optimizing the selection of vegetation indices and growth stages” LINK

“Evaluation des propriétés hydriques de sols de Bretagne grâce à un indice spectral proche infrarouge.: Pertinence régionale et objectivation de l’impact des pratiques …” LINK

“Applied Sciences, Vol. 9, Pages 5336: Analysis of Methanol Gasoline by ATR-FT-IR Spectroscopy” LINK

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

“Application of Near-Infrared Hyperspectral Imaging with Machine Learning Methods to Identify Geographical Origins of Dry Narrow-Leaved Oleaster (Elaeagnus angustifolia) Fruits.” LINK




Laboratory

“Near infrared (NIR)-spectroscopy and in-vitro dissolution absorption system 2 (IDAS2) can help detect changes in the quality of generic drugs” LINK




Other

“Developing a New Spectral Index for Detecting Cadmium-Induced Stress in Rice on a Regional Scale” 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

Spectroscopy and Chemometrics News Weekly #40, 2019

CalibrationModel.com

“Food quality digitized at the “speed of light” ” : Food Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Spectroscopy and Chemometrics News Weekly 39, 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 39, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 39, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel HSI LINK




Chemometrics

“Near-infrared spectroscopy to determine residual moisture in freeze-dried products: model generation by statistical design of experiments LINK

“制浆材木质素含量近红外分析模型传递研究” “Study on Near-infrared Calibration Model Transfer for Lignin Content in Pulpwood” LINK

“Prediction of Mineral Composition in Commercial Extruded Dry Dog Food by Near-Infrared Reflectance Spectroscopy” LINK




Near Infrared

“Influence of Particles Size on NIR Spectroscopic Estimations of Charcoal Properties” LINK

“Measurement of refractive index of hemoglobin in the visible/NIR spectral range.” LINK

“Feasibility on using NIR spectroscopy for the measurement of the textural parameters in mango” LINK

“NIR Spectroscopy as a Suitable Tool for the Investigation of the Horticultural Field” LINK

“Handheld Near-Infrared Spectroscopy for Distinction of Extra Virgin Olive Oil from Other Olive Oil Grades Substantiated by Compositional Data” LINK




Infrared

“Short-wave near infrared spectroscopy for the quality control of milk” LINK

“Rapid detection of infrared inactive sodium chloride content in frozen tuna fish for determining commercial value using short wavelengths” LINK




Equipment

Visible/near Infrared Reflection Spectrometer and Electronic Nose Data Fusion as an Accuracy Improvement Method for Portable Total Soluble Solid Content Detection of Orange” LINK




Environment

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




Agriculture

“Local anomaly detection and quantitative analysis of contaminants in soybean meal using near infrared imaging: The example of non-protein nitrogen.” LINK

“Challenges and opportunities in clinical translation of biomedical optical spectroscopy and imaging.” LINK

“The potential of CIELAB colour scores to gauge the quality of sorghum as a feed grain for chicken-meat production” LINK




Food & Feed

“Control and Monitoring of Milk Renneting Using FT-NIR Spectroscopy as a Process Analytical Technology Tool” Foods LINK

Food quality digitized at the “speed of light” This shows how using spectroscopy for measuring food quality can become the future for many businesses – With the speed of light LINK

“A Study on the use of Spectroscopic Techniques to Identify Food Adulteration” LINK

“Recent advances in micro-level experimental investigation in food drying technology” LINK




Laboratory

“In situ reaction monitoring using spectroscopy can be very useful in an industrial laboratory, but there are many factors to take into account.” Click Here for Seven Essential Steps for In Situ Reaction Monitoring: LINK





Spectroscopy and Chemometrics News Weekly #37, 2019

CalibrationModel.com

The new Version V2.4 of the free NIR-Predictor supports multiple native file formats of miniature, mobile and desktop spectrometers get your spectra analyzed as easy as Drag’n’Drop. LINK

Spectroscopy and Chemometrics News Weekly 36, 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 36, 2019 | NIRS NIR Spektroskopie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 36, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel LINK




Chemometrics

“Identification of Passion Fruit Oil Adulteration by Chemometric Analysis of FTIR Spectra” LINK

“Investigating the use of visible and near infrared spectroscopy to predict sensory and texture attributes of beef M.longissimus thoracis et lumborum.” LINK

“Optimized prediction of sugar content in ‘Snow’ pear using near-infrared diffuse reflectance spectroscopy combined with chemometrics” LINK

“FT-NIR spectroscopy and multivariate classification strategies for the postharvest quality of green-fleshed kiwifruit varieties” FTNIR LINK

“An Approach to Rapid Determination of Tween-80 for the Quality Control of Traditional Chinese Medicine Injection by Partial Least Squares Regression in Near-Infrared Spectral Modeling” LINK

“Assessing macro-element content in vine leaves and grape berries of vitis vinifera by using near-infrared spectroscopy and chemometrics” LINK

“Investigating the use of visible and near infrared spectroscopy to predict sensory and texture attributes of beef M. longissimus thoracis et lumborum” LINK

“Rapid classification of commercial Cheddar cheeses from different brands using PLSDA, LDA and SPA-LDA models built by hyperspectral data” LINK




Near Infrared

“A Comparison of Sparse Partial Least Squares and Elastic Net in Wavelength Selection on NIR Spectroscopy Data.” LINK

“Reliability of NIRS portable device for measuring intercostal muscles oxygenation during exercise” LINK

“Ability of near-infrared spectroscopy for non-destructive detection of internal insect infestation in fruits: Meta-analysis of spectral ranges and optical measurement modes.” LINK

“Analysis of the Acid Detergent Fibre Content in Turnip Greens and Turnip Tops (Brassica rapa L. Subsp. rapa) by Means of Near-Infrared Reflectance.” LINK

“Lipid-Core Plaque Assessed by Near-Infrared Spectroscopy and Procedure Related Microvascular Injury.” LINK

“Analysis of the Acid Detergent Fibre Content in Turnip Greens and Turnip Tops (Brassica rapa L. Subsp. rapa) by Means of Near-Infrared Reflectance” Foods LINK

“Online monitoring of multiple component parameters during ethanol fermentation by near-infrared spectroscopy.” LINK




Hyperspectral

“Identifying Freshness of Spinach Leaves Stored at Different Temperatures Using Hyperspectral Imaging.” LINK

“Identifying Freshness of Spinach Leaves Stored at Different Temperatures Using Hyperspectral Imaging” Foods LINK




Equipment

“Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceumL.” LINK




Agriculture

“Use of near-infrared spectroscopy for the rapid evaluation of soybean [Glycine max (L.) Merri.] water soluble protein content.” LINK




Food & Feed

“Rapid visible-near infrared (Vis-NIR) spectroscopic detection and quantification of unripe banana flour adulteration with wheat flour” LINK





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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





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

About

Bossart Analytics develops unique specialized chemometric software for NIR spectroscopy and offers calibration development and optimization services.


It is our strong belief that chemometric models and machine learning methods importance is steadily increasing. We focus on the algorithms and know-how for the development of optimal NIR calibration models.

With our long year experience in chemometrics and NIR spectroscopy know how, we offer a hardware vendor independent service for quantitative calibration modeling for full range NIR spectrometer.

Main Advantages, see Paradigm Change in NIR.


Start Calibrate