Spectroscopy and Chemometrics News Weekly #41, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 40, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

NIR-Spectroscopy and Chemometrics News Weekly 40, 2020 Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 40, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 40, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

“Comparison of four mobile, non‐invasive diagnostic techniques for differentiating glass types in historical leaded windows: MA‐XRF, UV–Vis–NIR, Raman …” LINK

“NIR associated to PLS and SVM for fast and non-destructive determination of C, N, P, and K contents in poultry litter” LINK

“Feasibility of FT-NIR spectroscopy and Vis/NIR hyperspectral imaging for sorting unsound chestnuts” LINK

“Estimating purple-soil moisture content using Vis-NIR spectroscopy” | LINK

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

“Classification approaches for sorting maize (Zea mays subsp. mays) haploids using single‐kernel near‐infrared spectroscopy” LINK

“Near Infrared and Aquaphotomic analysis of water absorption in lactate containing media” LINK

“Classification of Imbalanced Near-infrared Spectroscopy Data” LINK

“Meat freshness revealed by visible to near-infrared spectroscopy and principal component analysis” LINK

“Measurement of the diffusion coefficient and hydrogen bonds of water in a dry-protective solution by microscopic near-infrared spectroscopy” LINK

“Authentication of Antibiotics Using Portable Near-Infrared Spectroscopy and Multivariate Data Analysis” LINK

“Infrared spectroscopy approaches support soil organic carbon estimations to evaluate land degradation” LINK

“Assessment of some wood properties by near infrared spectroscopy” LINK

“Impact of spectroscopic information on total column water vapor retrieval in the near-infrared spectral region” LINK

“Prediction of intramuscular fat in lamb by visible and near-infrared spectroscopy in an abattoir environment” LINK

Raman Spectroscopy

“Principal Component Regression for Forensic Age Determination Using the Raman Spectra of Teeth” LINK

Hyperspectral Imaging (HSI)

“Rapid and nondestructive evaluation of hygroscopic behavior changes of thermally modified softwood and hardwood samples using near-infrared hyperspectral imaging (NIR-HSI)” LINK

“Differentiation of Environmental Bacteria Using Hyperspectral Imaging Technology And Multivariate Analysis” LINK

Chemometrics and Machine Learning

“Comprehensive chemometric classification of snack products based on their near infrared spectra” LINK

“Adulteration detection of corn oil, rapeseed oil and sunflower oil in camellia oil by in situ diffuse reflectance near-infrared spectroscopy and chemometrics” LINK

“Near-Infrared Spectroscopy Coupled Chemometric Algorithms for Rapid Origin Identification and Lipid Content Detection of Pinus Koraiensis Seeds” Sensors LINK

“Application of Generative Adversarial Network for the Prediction of Gasoline Properties” LINK

“Near Infrared Reflectance Spectroscopy Coupled to Chemometrics as a Cost-Effective, Rapid and Non-Destructive Tool for Fish Fraud Control: Monitoring Source …” LINK

“Using chemometrics to characterise and unravel the near infra-red spectral changes induced in aubergine fruit by chilling injury as influenced by storage time and …” LINK

Equipment for Spectroscopy

“Water as a probe to understand the traditional Chinese medicine extraction process with near infrared spectroscopy: a case of Danshen (Salvia miltiorrhiza Bge) …” LINK

Process Control and NIR Sensors

“Sample Mass Estimate for the Use of Near-Infrared and Raman Spectroscopy to Monitor Content Uniformity in a Tablet Press Feed Frame of a Drug Product Continuous Manufacturing Process” LINK

Environment NIR-Spectroscopy Application


“Metabolomics approaches for analysing effects of geographic and environmental factors on the variation of root essential oils of Ferula assa-foetida L.” LINK

Agriculture NIR-Spectroscopy Usage

“Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review.” LINK

Food & Feed Industry NIR Usage

“Multi-block classification of chocolate and cocoa samples into sensory poles” LINK

Pharma Industry NIR Usage

“Rapid quantification of active pharmaceutical ingredient for sugar-free Yangwei granules in commercial production using FT-NIR spectroscopy based on machine …” LINK

Laboratory and NIR-Spectroscopy

“Resin and volatile content of melamine-impregnated paper assessed by near infrared spectroscopy, a simulation of the industrial process using a laboratory-scale …” | LINK


“Development of an automatic sorting robot for construction and demolition waste” LINK


“Polymer types ingested by northern fulmars (Fulmarus glacialis) and southern hemisphere relatives.” LINK

“High-sensitive spectroscopy for remote sensing of concrete structures” LINK

Spectroscopy and Chemometrics News Weekly #39, 2020

NIR Calibration-Model Services

Safe Cost and Time with new NIR Model Development and Maintenance in the Analytical Testing Laboratory. | NIRS NIR instruments Spectrometer Infrared Spectroscopy Food Feed Dairy Sample Analysis Analytical Testing Laboratory LINK

NIR Spectroscopic Custom Applications for chemical analysis | laboratory analyzer analyser QA QC QAQC LINK

Spectroscopy and Chemometrics News Weekly 38, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Near-Infrared Spectroscopy (NIRS)

“Determination of green pea and spinach adulteration in pistachio nuts using NIR spectroscopy” LINK

“Improved prediction of ‘Kent’ mango firmness during ripening by near-infrared spectroscopy supported by interval partial least square regression” LINK

“Phytochemical composition and variability in Quercus ilex acorn morphotypes as determined by NIRS and MS-based approaches” LINK

“FT-NIR spectroscopy and RP-HPLC combined with multivariate analysis reveals differences in plant cell suspension cultures of Thevetia peruviana treated with …” LINK

“Combination of Convolutional Neural Networks and Recurrent Neural Networks for predicting soil properties using Vis–NIR spectroscopy” LINK

“Non-destructive determination of the main chemical components of red dragon fruit peel flour by using Near-Infrared Reflectance Spectroscopy (NIRS)” LINK

“Comparative VIS and NIR Raman and FTIR Spectroscopy of Lunar Analog Samples” LINK

“NearInfrared spectroscopy (NIRS) applications for high throughput phenotyping (HTP) for cassava and yam: A review” LINK

“Near infrared spectroscopy for rapid determination of solids content of amino resins” LINK

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

“Dual-slope imaging in highly scattering media with frequency-domain near-infrared spectroscopy.” LINK

“Non-destructive measurement of apple internal quality by using near-infrared spectroscopy” | LINK

“Feasibility Study on Use of Near Infrared Spectroscopy for Rapid and Non-Destructive Determination of Gossypol Content in Intact Cottonseeds” LINK


“The use of infrared spectroscopy and machine learning tools for detection of Meloidogyne infestations” LINK

“simultaneous determination of moisture and berberine content in Coptidis Rhizoma and Phellodendri Chinensis Cortex by near-infrared spectroscopy” LINK

Raman Spectroscopy

Epic video for OpenRAMAN to celebrate first year on Patreon! LINK

Hyperspectral Imaging (HSI)

“Hyperspectral Imaging Coupled with Multivariate Analysis and Image Processing for Detection and Visualisation of Colour in Cooked Sausages Stuffed in Different …” LINK

Spectral Imaging

Point of care (POC) testing is designed to diagnose patients in the field, rather than in a medical facility. Ocean Insight offers highly integrated multispectral sensors reduces the complexity, footprint and cost of PCR instrumentation. Learn more: LINK

Chemometrics and Machine Learning

“Probabilistic classification models for the in situ authentication of Iberian pig carcasses using Near Infrared Spectroscopy” LINK

“Application of Chemometrics in Biosensing: A Brief Review” Biosensors LINK

“Rapid monitoring approaches for concentration process of lanqin oral solution by near-infrared spectroscopy and chemometric models.” LINK

“Establishment of Near-Infrared Prediction Models for Toluene Insoluble Substance and Other 3 Indexes of Medium Temperature Coal Pitch” LINK

“Modified selfadaptive model for improving the prediction accuracy of soil organic matter using laserinduced breakdown spectroscopy” LINK

“A Comparative Study of PLSR and SVM-R with Various Preprocessing Techniques for the Quantitative Determination of Soluble Solids Content of Hardy Kiwi Fruit by a Portable Vis/NIR Spectrometer.” LINK

“A Brief History of Whiskey Adulteration and the Role of Spectroscopy Combined with Chemometrics in the Detection of Modern Whiskey Fraud” LINK

Research on Spectroscopy

“Continuous and real-time indoor and outdoor methane sensing with portable optical sensor using rapidly pulsed IR LEDs.” LINK

Equipment for Spectroscopy

“OpenRAMAN: Open-Source Raman Spectrometer in 1 day” Raman Spectroscopy 3Dprinting LINK

“Nondestructive authentication of the regional and geographical origin of cocoa beans by using a handheld NIR spectrometer and multivariate algorithm.” LINK

Future topics in Spectroscopy

“Artificial Intelligence-as-a-Service Market-Growth, Trends, and Forecast (2020-2025)” ArtificialIntelligence AIaaS MarketGrowth LINK

Process Control and NIR Sensors

“Real Time Monitoring of Quality Attributes by Inline Fourier Transform Infrared Spectroscopic Sensors at Ultrafiltration and Diafiltration of Bioprocess” LINK

Agriculture NIR-Spectroscopy Usage

“Application of advanced molecular spectroscopy and modern evaluation techniques in canola molecular structure and nutrition property research” LINK

“Sensors, Vol. 20, Pages 4645: Wavelength Selection FOR Rapid Identification of Different Particle Size Fractions of Milk Powder Using Hyperspectral Imaging” LINK

“Role of Near Infrared Spectroscopy in Agriculture” LINK

“Comparison between synthetic and rosemary-based antioxidants for the deep frying of French fries in refined soybean oils evaluated by chemical and non-destructive …” LINK

Forestry and Wood Industry NIR Usage

“Phenotypic techniques and applications in fruit trees: a review.” LINK

Food & Feed Industry NIR Usage

“Rapid screening of DON contamination in whole wheat meals by Vis/NIR spectroscopy and computer vision coupling technology” LINK


Start Calibrate – NIR Quick Guide

More Details

Quick Start NIR Workflow: step by step

1. Check if your NIR-Device Data Format is directly supported (anyway you can convert to JCAMP) : NIR-Predictor supported Spectral Data File Formats

2. Download the free NIR-Predictor Software that contains demo data so you can play with it to see if it is the way you want analyse your NIR spectra (no registration needed) : NIR-Predictor Download

3. With your “NIR device” measurement software:

  • measure samples with NIR, that gets you spectra files,
  • label them with a proper sample name, so you know which is which,
  • and determine quantitative reference values by Laboratory reference method.
  • at least 60 samples with different contents is needed for a minimal calibration.
  • NIR-Predictor helps to create a template file (.csv) to enter the Lab values.

4. Creating your own Calibrations with NIR-Predictor to combine your NIR and Lab data for a calibration request : watch Video read Manual