Spectroscopy and Chemometrics News Weekly #14, 2020

CalibrationModel.com

NIR User? Get better results faster | Food Science QC Lab Laboratory Manager chemist LabWork Chemie analytik LINK

NIR-Predictor Software supports spectral file formats out of the box from: and others – Mobile spectroscopy NIRS portable Analyzers H2020 LINK

Timesaving Calibration Modeling Method: for near-infrared NIR Spectroscopy (NIRS) Multivariate Quantitative Prediction. food quality laboratory LINK

Spectroscopy and Chemometrics News Weekly 13, 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 13, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse analytic LINK

Spettroscopia e Chemiometria Weekly News 13, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

We have updated the free NIR-Predictor-Software Spectral Data format support list for many mobile and benchtop NIR Spectroscopy Sensors. | Used in QualityControl for Food Fruits Milk Meat 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 Spectroscopy (NIRS)

“Aplicação da espectroscopia de reflectância no infravermelho próximo (NIRS) na determinação do potencial bioquímico de metano–Revisão” LINK

“Prediction of soil organic matter and clay contents by near-infrared spectroscopy-NIRS” LINK

“Fast detection and quantification of pork meat in other meats by reflectance FT-NIR spectroscopy and multivariate analysis” LINK

“Improved GA-SVM Algorithm and Its Application of NIR Spectroscopy in Orange Growing Location Identification” LINK

“Improved Deep CNN with Parameter Initialization for Data Analysis of Near-Infrared Spectroscopy Sensors.” Tobacco LINK

“Data analysis on near infrared spectroscopy as a part of technology adoption for cocoa farmer in Aceh Province, Indonesia” LINK

“Improved Deep CNN with Parameter Initialization for Data Analysis of Near-Infrared Spectroscopy Sensors” LINK

“Identification of a Glass Substrate to Study Cells Using Fourier Transform Infrared Spectroscopy: Are We Closer to Spectral Pathology?” LINK

“Raman-Infrared spectral fusion combined with partial least squares (PLS) for quantitative analysis of polycyclic aromatic hydrocarbons in soil” LINK

“Identification metliod of ginger-processed Pinelliaternata based on infrared spectroscopy data fusion.” LINK

“Terahertz Time of Flight Spectroscopy as a Coating Thickness Reference Method for Partial Least Squares Near Infrared Spectroscopy Models” LINK

“Quantitative detection of apple watercore and soluble solids content by near infrared transmittance spectroscopy” LINK




Hyperspectral

“Rapid Identification and Visualization of Jowl Meat Adulteration in Pork Using Hyperspectral Imaging.” LINK

“Hyperspectral monitoring of maize leaves under copper stress at different growth stages” LINK

“Classification of small-scale hyperspectral images with multi-source deep transfer learning” LINK




Chemometrics

“Detection of fat content in peanut kernels based on chemometrics and hyperspectral imaging technology” LINK

“Hyperspectral Imaging Feature Selection Using Regression Tree Algorithm: Prediction of Carotenoid Content Velvet Apple Leaf” LINK

“Modelos de calibración para la cuantificación nutricional de praderas frescas mediante espectroscopía de infrarojo cercano” LINK

“Performance Evaluation of Chemometric Prediction Models—Key Components of Wheat Grain” LINK




Equipment

“Rapid Nondestructive Analysis of Intact Canola Seeds Using a Handheld NearInfrared Spectrometer” LINK

“Confirmatory non-invasive and non-destructive differentiation between hemp and cannabis using a handheld Raman spectrometer” LINK




Process Control

“Monitoring of CO2 Absorption Solvent in Natural Gas Process Using Fourier Transform Near-Infrared Spectrometry” LINK




Environment

“Comparing laboratory and airborne hyperspectral data for the estimation and mapping of topsoil organic carbon: Feature selection coupled with random forest” LINK




Agriculture

“Predicting Forage Quality of Warm-Season Legumes by Near Infrared Spectroscopy Coupled with Machine Learning Techniques.” LINK

“Les défis de la technologie de l’aliment en nutrition volaille: pertinence et enjeux pour répondre aux attentes industrielles et sociétales” LINK

“CHANGES IN THE CONTENT OF STRUCTURAL CARBOHYDRATES AND LIGNIN IN THE BIOMASS OF Lolium multiflorum (Lam.) AFTER APPLYING SLURRY …” LINK

“Rapid Analysis of Alcohol Content During the Green Jujube Wine Fermentation by FT-NIR” LINK

“Spectral Analysis and Deconvolution of the Amide I Band of Proteins Presenting with High-Frequency Noise and Baseline Shifts” LINK




Petro

“Spectroscopic evidence of special intermolecular interaction in iodomethane-ethanol mixtures: the cooperative effect of halogen bonding, hydrogen bonding, and …” LINK




Pharma

“Defocused Spatially Offset Raman Spectroscopy in Media of Different Optical Properties for Biomedical Applications Using a Commercial Spatially Offset Raman Spectroscopy Device” LINK




Medicinal

“A single oral dose of beetroot-based gel does not improve muscle oxygenation parameters, but speeds up handgrip isometric strength recovery in recreational combat …” LINK




Other

“Spectral differentiation of oak wilt from foliar fungal disease and drought is correlated with physiological changes” LINK

“Wearing a headset containing both electroencephalography (EEG) and near-infrared spectroscopy (NIRS) sensors, the user simply imagines moving either his right hand, left hand, tongue or feet – and ASIMO makes a corresponding movement. ” BrainInterface LINK

KnowItAll Software / Spectral Libraries & ChemWindow are now part of Wiley Science Solutions. See press release: LINK

“The uses of near infra-red spectroscopy in postharvest decision support: A review” 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 #28, 2019

CalibrationModel.com

Why NIR vendors should use ready-to-use dedicated NIR modeling software solution that works already. LINK

Spectroscopy and Chemometrics News Weekly 27, 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 27, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Messtechnik Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Labor Analyse LINK

Spettroscopia e Chemiometria Weekly News 27, 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

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




Chemometrics

“Prediction of chemical content in patchouli oil (Pogostemon cablin Benth) by portable NIR spectroscopy” LINK

“Carbohydrate Analysis by NIRS-Chemometrics” LINK

“Chemosensors, Vol. 7, Pages 29: The Electronic Nose Coupled with Chemometric Tools for Discriminating the Quality of Black Tea Samples InSitu” LINK

fruit sensor calibration for monitoring fruit development continuously in the orchard see poster at ecpa2019 LINK

New Journal of Spectral Imaging–JSI Paper: Adaptive hierarchical clustering for hyperspectral image classification: Umbrella Clustering | Remotesensing LINK

“Prediction of Dissolution of Sustained Release Coated Ciprofloxacin Beads Using Near-infrared Spectroscopy and Process Parameters: a Data Fusion Approach” LINK




Near Infrared

“The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions” LINK

nIRCat, a near-infrared (1000-1300 nm) probe to image dopamine in the brain LINK

“交通渋滞場面での怒りの接近動機づけ (攻撃性) における加齢の影響: 近赤外線分光法 (NIRS)・心拍出量・唾液中コルチゾールを用いた検討 (ヒューマンコミュニケーション基礎)” LINK

“Desarrollar un modelo de predicción mediante Espectroscopia en Infrarrojo Cercano (NIRS) para la determinación de proteína cruda en subproductos de arroz (Oriza sativa)” LINK

Detection of intracranial hematomas in the emergency department using near infrared spectroscopy LINK

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

“NIRS identification of black textiles: Improvements for waste textiles sorting” LINK

“Near-infrared spectroscopy for determining the oxidation stability of diesel, biodiesel and their mixtures” LINK

“Influence of surface roughness and surface moisture of plastics on sensor-based sorting in the near infrared range.” LINK

“Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry” LINK




Hyperspectral

“Remote Sensing, Vol. 11, Pages 1622: A Lightweight Hyperspectral Image Anomaly Detector for Real-Time Mission” LINK




Spectral Imaging

“Multispectral Imaging for Detection of Adulterants in Turmeric Powder” LINK




Facts

It’s hype nowadays to play with all the fancy shiny new open source releases, but how long will a company let their technicians play with it? 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 miliaceum L.” LINK

“Extension of the Measurable Wavelength Range for a Near-Infrared Spectrometer Using a Plasmonic Au Grating on a Si Substrate” LINK




Process Control

“Integrated Robotic Mini Bioreactor Platform for Automated, Parallel Microbial Cultivation With Online Data Handling and Process Control” LINK




Agriculture

“Nutrients, Vol. 11, Pages 1476: Nutritional Properties and Consumers Acceptance of Provitamin A-Biofortified Amahewu Combined with Bambara (Vigna Subterranea) Flour” LINK

“Rapid detection of carbon-nitrogen ratio for anaerobic fermentation feedstocks using near-infrared spectroscopy combined with BiPLS and GSA” LINK




Forestry

“Soil C stocks in the sylvopastoral zone of Senegal as influences by trees” LINK




Medicinal

“Current methods for the assessment of skin microcirculation: Part 1” LINK




Other

“Kayseri Ekolojik Kosullarinda Farkli Ekim Zamanlarinin Nohut (Cicer arietinum L.) Bitkisinde verim, verim unsurlari ve kalite üzerine etkileri” LINK

“Seed composition of different Camelina sativa and Crambe abyssinica cultivars” LINK





Spectroscopy and Chemometrics News Weekly #31-37, 2017

Near Infrared

Rancidity Estimation of Perilla Seed Oil by Using Near-Infrared Spectroscopy & Multivariate Analysis Techniques LINK

Near Infrared Reflectance Spectroscopy to Analyze Meat in Live Animals LINK

“Near-infrared Spectroscopy (NIRS) Equipment Market Analysis with Inputs from Industry Experts 2017 to 2022” LINK

NIRS Process Monitoring Methodology for Pharmaceutical Continuous Manufacturing using a Offline Calibration Approach LINK

Near infrared system coupled chemometric algorithms for enumeration of total fungi count in cocoa beans | NIRS LINK

Prediction of Cortisol & Progesterone Concentrations in Cow Hair Using Near-Infrared Reflectance Spectroscopy NIRS LINK

“Near-infrared Spectroscopy (NIRS) Equipment Market is Expected to Grow 12 % CAGR till 2022” LINK

Determination of Spatially Resolved Tablet Density and Hardness Using Near-Infrared Chemical Imaging (NIR-CI) LINK

Prediction of Lignin Content in Different Parts of Sugarcane Using Near-Infrared Spectroscopy (NIR), … LINK



Chemometrics

Evolution of Machine Learning – Infographics MachineLearning AI LINK

Quantification of the contents in biojet fuel blends using near infrared spectroscopy and multivariate calibration LINK

“Calibration model to predict nitrogen content in single seeds of cowpea using NIRS” LINK

Classification of Ciprofloxacin Tablets Using Near-Infrared Spectroscopy and Chemometric Modeling | NIRS LINK



Equipment

Updated : NIR-Spectrometer vendor overview list NIRS Spectrometer Spectroscopy Sensors Spektrometer LINK

PerkinElmer Launches Spectrum Two™ N FT-NIR System | NIRS FTNIR spectrometer LINK



Hyperspectral

Discrimination of Transgenic Maize Kernel Using NIR Hyperspectral Imaging and Multivariate DataAnalysis | HSI LINK



Process Control

Development of NIR-Spectroscopy-based Process Monitoring Methodology for Pharmaceutical Continuous Manufacturing … LINK




Food & Feed

Application of Visible/Near-Infrared Spectroscopy in the Prediction of Azodicarbonamide in Wheat Flour LINK



Agriculture

Nondestructive Technique for Determining the Viability of Soybean (Glycine max) Seeds Using FT-NIR Spectroscopy. LINK



Research

Android Tricorder: Google übernimmt Startup, das Körperwerte mit dem Smartphone messen kann LINK



Laboratory

Some of our favorite postcards from our journeys at Saturn, now available in a free, downloadable e-book: LINK!



Other

Spectroscopic ‘science camera’ system for smartphones LINK
Using Deep Neural Networks to Automate Large Scale Statistical Analysis for Big Data Applications. LINK



Facts

Echo Geoff’s sentiment no tool is eternal, even backprop or deeplearning. V. important to continue basic research. https://t.… LINK!



Frequently Asked Questions (FAQ)

NIR-Predictor Software


Q: Where are the FAQs of the NIR-Predictor software?
A: The NIR-Predictor FAQ can be found here NIR-Predictor FAQ.


Applications


Q: How much is your service (NIR Calibration Models)?
A: Please see Pricing

Q: How many samples do I need to send you for a new calibration?
A: Data samples from 100 – 120 different products to start, at least 60 – 100.

Q: What kind of NIR application you have and what equipment they support?
A: All major NIR and FT-NIR spectrometers and mobile NIR instruments are supported. We deliver the optimal calibration settings for your custom NIR data for your applicative purpose. We do not sell any NIR spectra files or any application/calibration files.

Q: What is the maximal number of parameters of a NIR Calibration?
A: We build and optimize each NIR Calibration for one parameter. That gives the possibility to use all advantages of spectral pre-processing and variable selection to get a robust and precise model. Your data files can contain multiple spectra with multiple parameters (there is no limit).

Q: Is qualification possible with quantitative calibration?
A: For A or B qualification define a product property e.g. name it “quality” where good is 1.0 and bad is 0.0. The quantitative calibration than predicts values around the range 0.0 to 1.0 and that classify the “quality”. A,B or C could also be possible to 0.0 0.5 1.0. Add multiple properties to your samples, like “qualityAB” and “qualityABC” and we try all the properties to calibrate.

Compatibility


Q: Are our NIR Calibration Models independent of any kind of spectrometer?
A: The calibrations we develop with your NIR data are customized for your spectrometer (any brand).

Q: Are the NIR Calibrations compatible with my NIR spectrometer?
A: The customized calibrations based on your data will fit your NIR spectrometer’s resolution and wavelength range.

Q: What do you mean by “to rebuild the calibration in the used software”?
A: Our calibration report says something like: For the given data, the best calibration model required multiplicative scatter correction for preprocessing, a 2nd derivative Savitsky Golay filtering with 15 points window size, PLS with 5 components, etc.


Data Privacy


Q: Do you offer a package NIR spectra – data based on wet Chemistry?
A: We do not sell NIR-Spectral Data.
We develope calibrations from NIR-Spectral + Lab Data.
See also NIR Calibration Service explained

Q: How can I trust your service does not collect/store/giveaway my data?
A: Please read our Terms of Service (TOS). We do not collect your data.
After processing your data into a calibration, your data is deleted from our servers.
You don’t want to trust anyone? Not even your instrument vendor?
Then anonymize your data, with the NIR JCAMP-Anonymizer Software

Q: How to make others have no re-use of my NIR data?
A: Anonymize your data! Here is how:

Prediction Model Adjustment, Model Correction, Model Updates


Q: Why is it recommended to recalibrate the NIRS on an ongoing basis?
A: read more