Spectroscopy and Chemometrics News Weekly #1, 2020

CalibrationModel.com

Five 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 Analysis Lab Laboratory Application Quantitative Analysis Methods Measurements Analytical Parameters Spectrometer Quality Accuracy LINK

Do you develop NIR / NIRS calibrations by yourself? Can you sell it? No? Buy it! Digitalization LabManager LabAutomation CEO Digitalisation Spectroscopy AutoML LowCost lowerCost SaveMoney SaveTime Efficiency Effectivity LINK

5 Fehler, die es bei der Digitalisierung in der NIR-Spektroskopie zu vermeiden gilt – das müssen Labormanager, Führungskräfte und CEOs wissen! NIRSpectroscopy NIRS Sensor NearInfrared Analyzers DigitalTransformation foodtech machinelearning LINK

Spectroscopy & Chemometrics News Weekly 52, 2019 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Food Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality Check LINK

Spectroscopy & Chemometrics News Weekly 51, 2019 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory AI Software IoT Sensors QA QC Testing Quality 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

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

“Simultaneous detection of quality and safety in spinach plants using a new generation of NIRS sensors” LINK

“Identification of Genuine and Adulterated Pinellia ternata by Mid-Infrared (MIR) and Near-Infrared (NIR) Spectroscopy with Partial Least Squares – Discriminant …” LINK

“Monitoring coffee roasting cracks and predicting with in situ near-infrared spectroscopy” LINK

“Assessment of a soil fertility index using visible and near-infrared spectroscopy in the rice paddy region of southern China” LINK

“Conversion of the Felixton Mill laboratory from conventional to NIRS analysis.” LINK

“Automatic cancer discrimination based on near-infrared spectrum and class-modeling technique” LINK

“Food powders classification using handheld Near-Infrared Spectroscopy and Support Vector Machine” LINK

“Development and validation of a method for separation of pregabalin and gabapentin capsules using Near Infrared hyperspectral imaging” LINK

“Field-resolved infrared spectroscopy of biological systems” Nature LINK

“Infrared spectroscopy finally sees the light” nature LINK

“Journal Highlight: Estimation of protein and fatty acid composition in shellintact cottonseed by near Infrared reflectance spectroscopy” LINK

” Visible/near-infrared Spectroscopy as a Novel Technology for Nondestructive Detection of Escherichia coli ATCC 8739 in Lettuce Samples” LINK

“The model updating based on near infrared spectroscopy for the sex identification of silkworm pupae from different varieties by a semi-supervised learning with pre …” LINK

“… Study on the Determination of ppm-Level Concentration of Histamine in Tuna Fish Using a Dry Extract System for Infrared Coupled with Near-Infrared Spectroscopy” LINK




Raman

“Transmission Raman Spectroscopic Quantification of Active Pharmaceutical Ingredient in Coated Tablets of Hot-Melt Extruded Amorphous Solid Dispersion” LINK




Hyperspectral

“Plastic waste monitoring and recycling by hyperspectral imaging technology” LINK

“Comparison of Ink Classification Capabilities of Classic Hyperspectral Similarity Features” LINK




Chemometrics

“DEVELOPING NEAR INFRARED SPECTROSCOPIC MODELS FOR PREDICTING DENSITY OF Eucalyptus WOOD BASED ON INDIRECT MEASUREMENT” LINK

“Development of Partial Least Square (PLS) Prediction Model to Measure the Ripeness of Oil Palm Fresh Fruit Bunch (FFB) by Using NIR Spectroscopy” LINK




Facts

“Bombs and cocaine: detecting nefarious nitrogen sources using remote sensing and machine learning” LINK




Agriculture

“Laboratory-based hyperspectral image analysis for the classification of soil texture” LINK

“Research on simultaneous detection of SSC and FI of blueberry based on hyperspectral imaging combined MS-SPA” LINK

“Polymers, Vol. 12, Pages 78: Insight into the Intermolecular Interaction and Free Radical Polymerizability of Methacrylates in Supercritical Carbon Dioxide” LINK

“Optimizing the procedure of grain nutrient predictions in barley via hyperspectral imaging.” LINK




Other

“绿泥石矿物近红外光谱吸收谱带的位移机理与控制机制研究” LINK

“Spektroskopie – Unverwechselbarer molekularer Fingerabdruck” 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
fix price
Development of a Calibration
299
80 – 150 / hour
of Chemometrician* using a Chemometric Software (click and wait) and applying it’s knowledge
Usage of a Calibration
299 / year
Total 598 in first year
299 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

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 #47, 2019

CalibrationModel.com

“NIR Spectral analysis software : Spectra Files with drag&drop to NIR-Predictor to get prediction results in a storeable and printable report.” (Video) NIRS LINK

Develop customized NIRS applications and freeing up hours of spectroscopy analysts time LINK

Increase Your Profit with optimized NIR Accuracy QC QA Food Feed Milk Production laboratory pauto process LINK

Spectroscopy and Chemometrics News Weekly 46, 2019 | NIRS NIR Spectroscopy DataScience Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QAQC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 46, 2019 | NIRS NIR Spektroskopie Spektrometer Sensor Nahinfrarot Analytik Analysentechnik Laboranalyse Analysemethode Nahinfrarotspektroskopie Datascience MachineLearning Applikation LINK

Spettroscopia e Chemiometria Weekly News 46, 2019 | NIRS NIR Spettroscopia analisi chimica Spettrale Spettrometro Sensore Attrezzatura analitica Laboratorio software prova qualità Analysesystem prediction models 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.




Chemometrics

“In vitro quantification of lactate in Phosphate Buffer Saline (PBS) samples” LINK

” NIR-Spectroscopic Classification of Blood Glucose Level using Machine Learning Approach” LINK

“Multivariate regression models obtained from near-infrared spectroscopy data for prediction of the physical properties of biodiesel and its blends” LINK

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

“Classification of Arabica Java Coffee Beans Based on Their Origin using NIR Spectroscopy” LINK

“Maize seed classification using hyperspectral image coupled with multi-linear discriminant analysis” LINK




Near Infrared

“Multispectral NIR absorption imaging for histology of skin cancer” LINK

“… Kadar Total Padatan Terlarut (TPT) dan Vitamin C Buah Mangga Arumanis (Mangifera indica L) Menggunakan Near Infrared Spectroscopy (NIRS) dengan Metode …” LINK

” Near infrared spectroscopy (NIRS) in following the maturity of cultivation of sugar cane (Saccharum spp.) La espectroscopía de infrarrojo cercano (NIRS) en el …” LINK

“Development of a NIRS method to assess the digestive ability in growing pigs” LINK




Infrared

“Near-infrared spectroscopy as a rapid tool for water content analysis in the partial oxidation of ethanol” LINK

“Quantitative detection of buffalo milk adulteration with cow milk using Fourier transform near infrared spectroscopy” LINK

“Irrigated and CO2 Level Effects on Metabolism in Coffea arabica Beans from Mixture Design-Near Infrared Fingerprints” LINK

“Characterization of a wavelength selection method using near-infrared spectroscopy and partial least squares with false nearest neighbors and its application in the chemical oxygen demand of waste liquid” LINK

” Non-Invasive Glucose Measurement Techniques using Near-Infrared Spectroscopy” LINK

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

“Determination of carotenoid and tocopherol content in maize flour and oil samples using near-infrared spectroscopy” LINK

“Non-destructive Evaluation of Fat Content of Coffee Beans Solok Radjo Using Near Infrared Spectroscopy” LINK

“Auto-sorting commonly recovered plastics from waste household appliances and electronics using near-infrared spectroscopy” LINK

“Rapid and Simultaneous Measurement of Praeruptorin A, Praeruptorin B, Praeruptorin E, and Moisture Contents in Peucedani Radix Using Near-Infrared …” LINK




Environment

” Precision Water Saving Cultivation Focused on Water Retention Zone” LINK

“Comparison of estimated soil bulk density using proximal soil sensing and pedotransfer functions” LINK




Agriculture

“Analytical Methods for Biomass Characterization and Conversion” LINK

“On the development of experimental methods to determine the rates of asphaltene precipitation, aggregation, and deposition” LINK




Food & Feed

“Determination of the food dye indigotine in cream by near-infrared spectroscopy technology combined with random forest model” LINK

“Authenticity of Edible Oils – Heading for New Methods” LINK




Laboratory

“Analysis of methodologies to evaluate juvenile wood with regard to wood quality” LINK

“Investigation of soil surface organic and inorganic carbon contents in a low-intensity farming system using laboratory visible and near-infrared spectroscopy” LINK




Other

“Determinação de teores de metais pesados em açúcares com diferentes solventes” 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





.

Spectroscopy and Chemometrics News Weekly #32, 2019

CalibrationModel.com

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

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

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




Chemometrics

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

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

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

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

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

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




Near Infrared

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

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

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

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

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

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

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




Hyperspectral

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

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




Environment

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

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




Agriculture

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

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

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

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




Food & Feed

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




Other

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

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

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

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





Spectroscopy and Chemometrics News Weekly #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 #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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