Spectroscopy and Chemometrics News Weekly #7, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 6, 2021 | 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 6, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 6, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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




Near-Infrared Spectroscopy (NIRS)

“Evaluation of swelling properties and drug release from mechanochemical pre-gelatinized glutinous rice starch matrix tablets by near infrared spectroscopy” LINK

” Multivariate method for prediction of fumonisins B1 and B2 and zearalenone in Brazilian maize using Near Infrared Spectroscopy (NIR)” | LINK

“Non-destructive determination of fatty acid composition of in-shell and shelled almonds using handheld NIRS sensors” LINK

“Breakthrough instruments and products: Near infrared spectral sensing: Advances in portable instrumentation and implementations” LINK

“Quali-quantitative monitoring of chemocatalytic cellulose conversion into lactic acid by FT-NIR spectroscopy.” LINK

“NIR Spectroscopy Detects Chlorpyrifos-Methyl Pesticide Residue in Rough, Brown, and Milled Rice” LINK

“ANALYSIS OF TEA LEAVES WITH DIFFERENT OXIDATION STATES BY FT-NIR SPECTROSCOPY” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Identification of peach and apricot kernels for traditional Chinese medicines using near-infrared spectroscopy” LINK

“Breakthrough instruments and products: Near infrared spectral sensing: Advances in portable instrumentation and implementations” LINK

“Two-dimensional moisture content and size measurement of pharmaceutical granules after fluid bed drying using near-infrared chemical imaging.” LINK

“Influence of steroids on hydrogen bonds in membranes assessed by near infrared spectroscopy” LINK

“Determination of the oxidative stability of biodiesel fuels by near-infrared spectroscopy” LINK

“In Vitro Spectroscopy-Based Profiling of Urothelial Carcinoma: A Fourier Transform Infrared and Raman Imaging Study” LINK

“Novel alternative use of near-infrared spectroscopy to indirectly forecast 3D printability of purple sweet potato pastes” LINK

“Shortwave infrared hyperspectral imaging system coupled with multivariable method for TVB-N measurement in pork” LINK




Chemometrics and Machine Learning

“Discrimination between wild-grown and cultivated Gastrodia elata by near-infrared spectroscopy and chemometrics” LINK

“A Single Model to Monitor Multistep Craft Beer Manufacturing using Near Infrared Spectroscopy and Chemometrics” LINK

“Noninvasive Blood Glucose sensing by Near-Infrared Spectroscopy based on PLSR Combines SAE Deep Neural Network Approach” LINK

“Comparison of a Low-cost Prototype Optical Sensor with Three Commercial Systems in Predicting Water and Nutrient Contents of Turfgrass: Prediction performance of …” LINK

“Development of NIR-HSI and chemometrics process analytical technology for drying of beef jerky” LINK

“Soil spectroscopy with the use of chemometrics, machine learning and pre-processing techniques in soil diagnosis: Recent advances-A review” LINK

“Application of NIR handheld transmission spectroscopy and chemometrics to assess the quality of locally produced antimalarial medicines in the Democratic Republic of Congo” LINK




Facts

“An Accuracy Improvement Method Based on Multi-Source Information Fusion and Deep Learning for TSSC and Water Content Nondestructive Detection in “Luogang” Orange” LINK




Research on Spectroscopy

“Nondestructive methods for determining the firmness of apple fruit flesh” LINK




Equipment for Spectroscopy

“Development of Fluorescence Imaging Technique to Detect Fresh-Cut Food Organic Residue on Processing Equipment Surface” LINK




Process Control and NIR Sensors

“Acid number, viscosity and end-point detection in a multiphase high temperature polymerisation process using an online miniaturised MEMS Fabry-Pérot interferometer.” | LINK

“Real-Time Monitoring of Yogurt Fermentation Process by Aquaphotomics Near-Infrared Spectroscopy.” LINK




Agriculture NIR-Spectroscopy Usage

“Rapid and nondestructive determination of qualities in vacuum packaged catfish (Clarias leather) fillets during slurry ice storage” LINK

“Economic and chemometric studies to supplement food-grade soybean variety development in the Mid-Atlantic region” LINK

“Online Monitoring of Fermented Grains Parameters for Chinese Liquor Brewing Based on Near Infrared Spectroscopy” LINK




Horticulture NIR-Spectroscopy Applications

“Fast, simultaneous and contactless assessment of intact mango fruit by means of near infrared spectroscopy [J]” LINK

“The development of portable detector for apples soluble solids content based on visible and near infrared spectrum.” LINK

“Non-destructive and fast method of mapping the distribution of the soluble solids content and pH in kiwifruit using object rotation near-infrared hyperspectral imaging …” LINK




Food & Feed Industry NIR Usage

“A two-tiered system of analysis to tackle rice fraud: The Indian Basmati study” LINK





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Digitization in the field of NIR spectroscopy (smart sensors)

Digitalization is advancing, also in NIR spectroscopy, which enables trainable miniature smart sensors e.g. for analyses in the food&feed, chemical and pharmaceutical sectors.

The calibration is the core of a NIR spectroscopy sensor, it enables the numerous applications and should therefore not be the weakest link in the measurement chain.

The development of calibrations that turn NIR spectrometers into smart sensors is done manually by experts (NIR specialist, chemometrician, data scientist) with so-called chemometrics software.

This is very time-consuming (time to market) and the result is person-dependent and thus suboptimal, because each expert has his own preferred way of proceeding. In addition, the calibrations have to be maintained, as new data has been collected in the meantime, which can be used to extend and improve the calibrations.

This is where our automated service comes in, combining the knowledge and good practices of NIR spectroscopy and chemometrics collected in one software and using machine learning to generate optimal calibrations.

Based on this, we have developed a complete technology platform (Time to Market) that covers the entire process from sending NIR + Lab data, to NIR Calibration as a Service, from online purchase of calibrations, to NIR Predictor software that directly evaluates newly measured NIR data locally and generates result reports.

Besides the free desktop version with user interface, the NIR Predictor can also be integrated (OEM). This can be integrated in parallel as a complement to your current Predictor, allowing the user to choose how they want to calibrate. And give them the advantage in NIR feasibility studies and NIR spectrometer evaluations to quickly provide the customer with a solid and accurate calibration that will make their NIR system deliver better results.

Advantages for your NIR users (internal or external)
  • no initial costs (no chemometrics software license required),
  • calculable operating costs (fixed amount instead of time and hourly rate) (calibration development, calibration maintenance)
  • easy to use (no chemometrics and software training),
  • quicker to use (no calibration development work) and
  • better calibrations (precision, accuracy, robustness, …)


Our chargeable service is based on the calibration development and the annual calibration use. Calibration development and calibration use can also be carried out separately (manufacturer / user).

For you as a spectrometer manufacturer, this means that you can deliver your system pre-calibrated for certain applications without incurring software license costs. And without your application specialists having to provide additional calibration services.

The unique advantages of our calibration service together with the free NIR Predictor are:
  • no software license costs (chemometrics software, predictor software, OEM integration)
  • no chemometrics know-how necessary
  • no time needed to develop optimal NIR calibrations.


If interested in using/evaluating the service :

About CalibrationModel.com : Time and knowledge intensive creation and optimization of chemometric evaluation methods for spectrometers as a service to enable more accurate analysis and measurement results.



see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper



Spectroscopy and Chemometrics News Weekly #35, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 34, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory 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 Spectroscopy (NIRS)

“Modelos NIRS para as características químicas da madeira de Eucalyptus benthamii Maiden & Cambage” LINK

“Application of in situ near infra-red spectroscopy (NIRS) for monitoring biopharmaceuticals production by cell cultures” LINK

“Using the NIRS for analyzes of soil clay content” LINK

“Determination of compost maturity using near infrared spectroscopy (NIRS)” LINK

“Screening Risk Assessment of Agricultural Areas under a High Level of Anthropopressure Based on Chemical Indexes and VIS-NIR Spectroscopy” LINK

“… an algorithm for processing Red Green Blue (RGB) images for the estimation of crude protein in grasses vs Near Infrared Reflectance Spectroscopy Technology (NIRS …” LINK

“Monitoring of cheese maturation using near infrared-hyperspectral imaging (NIR-HIS)” LINK

“Selection of sugarcane clones via multivariate models using near-infrared (NIR) spectroscopy data” LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Rapid and simultaneous analysis of multiple wine quality indicators through near-infrared spectroscopy with twice optimization for wavelength model” LINK

“Manuka honey adulteration detection based on near-infrared spectroscopy combined with aquaphotomics” LINK

” Identification of Marine Fish Taxa by Linear Discriminant Analysis of Reflection Spectra in the Near-Infrared Region” LINK

“Assessment of Intact Macadamia Nut Internal Defects Using Near-Infrared Spectroscopy” LINK

“Rational design of near-infrared platinum(ii)-acetylide conjugated polymers for photoacoustic imaging-guided synergistic phototherapy under 808 nm irradiation.” LINK

“Classification of fish species from different ecosystems using the near infrared diffuse reflectance spectra of otoliths” LINK

“Three new Amazonian species of Myrcia sect. Myrcia (Myrtaceae) based on morphology and near-infrared spectroscopy” LINK

“Rapid Online Determination of Feed Concentration in Nitroguanidine Spray Drying Process by Near Infrared Spectroscopy” LINK




Raman Spectroscopy

“Monitoring the Caustic Dissolution of Aluminum Alloy in a Radiochemical Hot Cell Using Raman Spectroscopy” LINK




Hyperspectral Imaging (HSI)

“Hyperspectral Imaging and Deep Learning for Food Safety Assessment” LINK




Chemometrics and Machine Learning

“Rapid and Nondestructive Freshness Determination of Tilapia Fillets by a Portable Near-Infrared Spectrometer Combined with Chemometrics Methods” LINK

“Non-Targeted Detection of Adulterants in Almond Powder Using Spectroscopic Techniques Combined with Chemometrics.” LINK




Environment NIR-Spectroscopy Application

“Mobile Proximal Sensing with Visible and Near Infrared Spectroscopy for Digital Soil Mapping” LINK




Agriculture NIR-Spectroscopy Usage

“Imaging Techniques for Chicken Products Detection” LINK

“Usage of visual and near-infrared spectroscopy to predict soil properties in forest stands” LINK

“NUTRIENT CONTENT OF SOYBEAN MEAL FROM DIFFERENT ORIGINS BASED ON NEAR INFRARED REFLECTANCE SPECTROSCOPY” LINK

“Robustness of visible near-infrared and mid-infrared spectroscopic models to changes in the quantity and quality of crop residues in soil” LINK

“Use of leaf hyperspectral data and different regression models to estimate photosynthetic parameters (Vcmax and Jmax) in three different row crops” LINK

“Rapid and direct detection of small microplastics in aquatic samples by a new near infrared hyperspectral imaging (NIR-HSI) method” LINK




Horticulture NIR-Spectroscopy Applications

“Prediction of Soluble Solids Content During Storage of Apples with Different Maturity Based on VIS/NIR Spectroscopy” LINK

“A new spectral pretreatment method for detecting soluble solids content of pears using Vis/NIR spectroscopy” LINK

“Research on the Performance of Juicy Peach Sugar Content Detection Model Based on Near Infrared Spectroscopy” LINK




Forestry and Wood Industry NIR Usage

“The Effect of Construction and Demolition Waste Plastic Fractions on Wood-Polymer Composite Properties” LINK




Food & Feed Industry NIR Usage

“Non-destructive Assessment of Flesh Firmness and Dietary Antioxidants of Greenhouse-grown Tomato (Solanum lycopersicum L.) at Different Fruit Maturity Stages” LINK

“Comparative analysis of rice seed viability detection based on different spectral bands” LINK

“Detection of chocolate powder adulteration with peanut using near-infrared hyperspectral imaging and Multivariate Curve Resolution” LINK





Spectroscopy and Chemometrics News Weekly #33, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 32, 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 32, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 32, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl 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)

“Integrated soluble solid and nitrate content assessment of spinach plants using portable NIRS sensors along the supply chain” LINK

“Evaluation of Near Infrared Spectroscopy (NIRS) and Remote Sensing (RS) for Estimating Pasture Quality in Mediterranean Montado Ecosystem” LINK

“Evaluation of Homogeneity in Drug Seizures Using Near-Infrared (NIR) Hyperspectral Imaging and Principal Component Analysis (PCA)”LINK

“FT-NIRS Coupled with PLS Regression as a Complement to HPLC Routine Analysis of Caffeine in Tea Samples” Foods LINK




Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

“Model based optimization of transflection near infrared spectroscopy as a process analytical tool in a continuous flash pasteurizer” LINK

“EXPRESS: Monitoring Polyurethane Foaming Reactions Using Near-Infrared Hyperspectral Imaging” LINK

“Near-infrared spectroscopy for monitoring free jejunal flap.” LINK

“Real-Time and Online Inspection of Multiple Pork Quality Parameters Using Dual-Band Visible/N ear-Infrared Spectroscopy” LINK

“An approach to quantify natural durability of Eucalyptus bosistoana by near infrared spectroscopy for genetic selection” LINK

“Rapid detection of green pea adulteration in ground pistachio nuts using near and mid-infrared spectroscopy” LINK

“Non‐invasive quality analysis of thawed tuna using near infrared spectroscopy with baseline correction” LINK




Raman Spectroscopy

“Low-Content Quantitation in Entecavir Tablets Using 1064 nm Raman Spectroscopy” LINK




Hyperspectral Imaging (HSI)

“Detecting defects on cheese using hyperspectral image analysisLINK

“Non-destructive discrimination of the variety of sweet maize seeds based on hyperspectral image coupled with wavelength selection algorithm” LINK

“Hyperspectral Imaging from a Multipurpose Floating Platform to Estimate Chlorophyll-a Concentrations in Irrigation Pond Water” Remote Sensing LINK

“Alfalfa Yield Prediction Using UAV-Based Hyperspectral Imagery and Ensemble Learning” LINK




Chemometrics and Machine Learning

“Maintaining the predictive abilities of near-infrared spectroscopy models for the determination of multi-parameters in White Paeony Root” LINK

“Machine Learning Modeling of Wine Sensory Profiles and Color of Vertical Vintages of Pinot Noir Based on Chemical Fingerprinting, Weather and Management Data” Sensors LINK

“Authentication of the Geographical Origin of “Vallerano” Chestnut by Near Infrared Spectroscopy Coupled with Chemometrics” LINK




Agriculture NIR-Spectroscopy Usage

“Relationship between chemical composition and standardized ileal digestible amino acid contents of corn grain in broiler chickens” LINK

“NIR spectroscopy and management of bioactive components, antioxidant activity, and macronutrients in fruits” LINK

“Determination of mechanical properties of whey protein films during accelerated aging: Application of FTIR profiles and chemometric tools” LINK

“A portable IoT NIR spectroscopic system to analyze the quality of dairy farm forage” LINK

“Exploring Relevant Wavelength Regions for Estimating Soil Total Carbon Contents of Rice Fields in Madagascar from Vis-NIR Spectra with Sequential Application of …” LINK

“Applied Sciences, Vol. 10, Pages 4345: Observation of Potential Contaminants in Processed Biomass Using Fourier Transform Infrared Spectroscopy” LINK

“Animals, Vol. 10, Pages 1095: Comparison of Fatty Acid Proportions Determined by Mid-Infrared Spectroscopy and Gas Chromatography in Bulk and Individual Milk Samples” LINK

“Manipulation of Fruit Dry Matter via Seasonal Pruning and Its Relationship to dAnjou Pear Yield and Fruit Quality” Agronomy LINK




Forestry and Wood Industry NIR Usage

“The Effect of Construction and Demolition Waste Plastic Fractions on Wood-Polymer Composite Properties” LINK




Food & Feed Industry NIR Usage

“Analysis of sorghum content in corn–sorghum flour bioethanol feedstock by near infrared spectroscopy” LINK

“Quantitative detection of fatty acid value during storage of wheat flour based on a portable near-infrared (NIR) spectroscopy system” LINK

“Integration of spectra and image features of Vis/NIR hyperspectral imaging for prediction of deoxynivalenol contamination in whole wheat flour” LINK

“Ongoing Research on Microgreens: Nutritional Properties, Shelf-Life, Sustainable Production, Innovative Growing and Processing Approaches” Foods LINK




Pharma Industry NIR Usage

“Direct Catalytic Fuel Cell Device Coupled to Chemometric Methods to Detect Organic Compounds of Pharmaceutical and Biomedical Interest” Sensors LINK




Laboratory and NIR-Spectroscopy

“Application of infrared microscopy and alternating least squares to the forensic analysis of automotive paint chips” LINK




Other

“Phenotypic plasticity and nonstructural carbohydrates in annual growth rings of the australian red cedar clones in contrasting enviroments” LINK