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 #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 #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





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NIR-Predictor Software

NIR-Predictor

New: NIR-Predictor V2.4 with new features

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

  • NIR-Predictor is an easy to use NIR software for all NIR devices
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  • CalibrationModel Service provides development of
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Key Features of NIR-Predictor

  • Super flexible prediction with automatic file format detection
  • Support for many mobile and desktop NIR Spectrometers file format
  • Application concept allows to group multiple Calibrations together for an Application
  • Prediction Report shows Histogram Charts of the tabulated prediction results
  • Sample based Properties File Creator for combining NIR and Lab reference data
  • Checked creation of a single file Calibration Request

Super flexible prediction

Loads multiple files at once in

  • different file-formats and …
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It allows you to

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With no configuration and no special menu command,
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Videos


Properties File Creator

A tool for the NIR-User to create the property file easily. It helps to create a CSV file from the measured spectra files with sample names and properties to edit in Spreadsheet/EXCEL software. Lets you enter Lab-Reference-Values in a sample-based manner, corresponding to your sample spectra for calibration. It contains clever automatic analysis mechanisms of inconsistencies in your raw-data to increase the data quality for calibration. Provides detailed analyzer information for manual data cleanup when needed.

It’s time saving and less error prone because you DON’T need to open each spectrum file separately in an editor and copy the spectral values into a table grid beside the Lab-values.

Properties File Creator saves you from:

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    • limited and error prone table grid functionality

Because it’s all automatic and you can check the results and get the analysis information!

Properties File Creator provides you – a individual template based on your raw-data for combining NIR and Lab-values – analysis and checks for better data quality for calibration

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About the included Demo-Spectra and Demo-Calibrations

The demo calibrations for the spectrometers from

  • Si-Ware Systems
  • Spectral Engines
  • Texas Instruments
  • VIAVI

are built with the raw data, thankfully provided from Prof. Heinz W Siesler, from this publication

“Hand-held near-infrared spectrometers:
State-of-the-art instrumentation and practical applications”
Hui Yan, Heinz W Siesler
First Published August 20, 2018 Research Article
https://doi.org/10.1177/0960336018796391

The demo calibrations for the FOSS are built with the

ANSIG Kaji Competition 2014 shootout data
http://www.anisg.com.au/the-kaji-competition


References

Quickstart: NIR-Predictor – Manual

Features and Version History: NIR-Predictor – Release Notes History

Supported NIR Spectra Formats: NIR-Predictor supported Spectral Data File Formats

Frequently Asked Questions: NIR-Predictor – FAQ

WebShop : CalibrationModel WebShop

NIR Instruments

The NIR-Analysis (NIRA) also known as Near Infrared Reflectance (NIRS-Analysis) or NIR Transmission (NIT-Analysis) uses so called NIR-Spectrometer (see also NIR-Spectroscopy, NIR Spectrometry).


The supported NIR-instruments, NIR-analysers, NIR-sensors and NIR-spectrometer (near-infrared spectroscopy) are full range (e.g. 1000-2500 [nm] or 10’000-4’000 [1/cm]) from any manufacturer and technology and also Short Wave InfraRed (SWIR) 900 nm – 1700 nm, that is typically used in Hyperspectral Imaging.


The supported NIR-technology can be Fourier transform (FT-NIR), dispersive NIR (DLP, MEMS), NIR-diode-array, Acousto-optic tunable filter (AOTF, AOTFNIR), etc. (on-line, in-line or at-line)



Time-saving Calibration Support for all NIRS

New : NIR-Predictor Software for all NIR spectrometers! Analyze your samples.


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Example overview list of NIR-spectrometer manufacturers / vendors / brands / supplier (we DO NOT SELL instruments) :



New : NIR-Predictor Software for all NIR spectrometers! Analyze your samples.


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Example overview list of Miniature Near-Infrared (NIR) Spectrometer Engine (spectral sensor) manufacturers / vendors / brands (we DO NOT SELL instruments) :

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