Spectroscopy and Chemometrics News Weekly #3, 2019

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How to Develop Near-Infrared Spectroscopy Calibrations in the 21st Century? | Chemometrics Analytische Chemie LINK

Spectroscopy and Chemometrics News Weekly 2, 2019 | NIRS NIR Spectroscopy Chemometrics analysis Spectral Spectrometer Spectrometric Sensors LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 2, 2019 | NIRS NIR Spektroskopie Chemometrie Proben Analyse Spektrometer Spektral Sensor Nahinfrarot Analysengeräte Analysentechnik Analysemethode Analyzer Nahinfrarotspektroskopie LINK

Spettroscopia e Chemiometria Weekly News 2, 2019 | NIRS Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Sensore Attrezzatura analitica LINK



“Nondestructive Detection of Postharvest Quality of Cherry Tomatoes Using a Portable NIR Spectrometer and Chemometric Algorithms” LINK

“The Quality Control of Tea by Near-Infrared Reflectance (NIR) Spectroscopy and Chemometrics” LINK

“Evaluation of Machine Learning Approaches to Predict Soil Organic Matter and pH Using vis-NIR Spectra.” LINK

“Effect of cultivar and season on the robustness of PLS models for soluble solid content prediction in apricots using FT-NIRS” LINK

“Evaluation of Machine Learning Approaches to Predict Soil Organic Matter and pH Using vis-NIR Spectra” LINK

“High dimensional chemometric algorithms for analyzing temperature dependent near infrared spectra” LINK

Near Infrared

“Cortical Network Response to Acupuncture and the Effect of the Hegu Point: An fNIRS Study” Sensors LINK

How do you tell if an injured brain is getting better? Researchers at and are applying functional near-infrared spectroscopy (fNIRS) to brain imaging, giving them a real-time look at the brain’s neuronal activity. health LINK

“Quantitative analysis of volatile organic compound using novel chemoselective response dye based on Vis-NIRS coupled Si-PLS” LINK

“Rapid determination of phytosterols by NIRS and chemometric methods” LINK

“NIR spectroscopy research in the Ozaki group for the last 30 years” LINK

“Multivariate and machine learning approaches for honey botanical origin authentication using near infrared spectroscopy” NIRS LINK

“How organic is organic milk? Can we have a quick check?” NIRS LINK

“Quantitative analysis of yeast growth process based on FT-NIR spectroscopy and aquaphotomics” LINK

“Qualitative analysis of the roots of salvia miltiorrhiza and Salvia yunnanensis based on NIR, UHPLC and LC-MS-MS” LINK

“Recent Trend in NIR Spectroscopy including Quantum Chemistry and 2D-COS and its Future Potential for Aquaphotomics” LINK


“Near infrared spectroscopic analysis of total alkaloids as nicotine, total nitrogen and total ash in Cuban cigar tobacco” LINK

“Recording invisible proofs to compose stone narratives. Applications of Near Infrared Spectroscopy in provenance studies.” LINK

“Integration of a Bifunctional Quantum Cascade Laser with Detection for Lab-on-a-Chip Mid-Infrared Absorption Spectroscopy” LINK

“Near infrared estimation of concentration of ginsenosides in Asian ginseng” LINK

“A Review on the Use of Wearable Functional Near-Infrared Spectroscopy in Naturalistic Environments.” LINK

“Variety Identification of Raisins Using Near-Infrared Hyperspectral Imaging.” LINK

New JSI Paper: Raman and Fourier transform infrared hyperspectral imaging to study dairy residues on different surface | milk Dairy Raman FTIR hyperspectral imaging LINK


“Biogeochemical specificity of adjacent natural carbonated spring waters from Swiss Alps promptly revealed by SERS and Raman technology” LINK


“ultra-compact grating type spectrometer that provides high sensitivity in the near infrared region. As such, it is capable of acquiring continuous spectrum.” LINK

“Impact of Alkyl Side Chain Length on Doping Kinetics, Thermopower and Charge Transport Properties in Highly Oriented F4TCNQ-Doped PBTTT films” LINK

Process Control

“Optimization of pickled herring production-Approaches for process and quality control” |(038dda2a-c1b9-4328-844f-7d1ab0531a0b).html LINK


“Intelligent Spectroscopy System Used for Physicochemical Variables Estimation in Sugar Cane Soils” LINK


“Robotized Early Plant Health Monitoring System” LINK

“Metabolic nitrogen and carbohydrate pools as potential quality indicators of supply chains for ornamental young plants” LINK

“Short communication: Fourier-transform mid-infrared spectroscopy to predict coagulation and acidity traits of sheep bulk milk” |(19)30008-6/fulltext?rss=yes LINK

“Influence of moisture and grain sizes on the analysis of nutrients in agricultural soils using LIBS” LINK

“Adaptive torrefaction of stem biomass in a horizontal moving bed with normalized direct measurement of quality characteristics” LINK

“The substratostat-an automated near-infrared spectroscopy-based variable-feed system for the continuous alcoholic fed-batch fermentation of high gravity grape must at static sugar concentrations ” LINK


“Laboratory customized online measurements for the prediction of the key-parameters of biomass quality control” LINK


“Fabrication and characterisation of viscose fibre with photoinduced heat-generating properties” LINK

“Prediksi Parameter Kematangan Buah Melon Menggunakan Spektroskopi Near Infra-red” LINK

Spectroscopy and Chemometrics News Weekly #33, 2018

Near Infrared

“Accurate and rapid detection of soil and fertilizer properties based on visible/near-infrared spectroscopy.” LINK

“Authenticity Detection of Black Rice by Near-Infrared Spectroscopy and Support Vector Data Description.” NIRS LINK

“MicroNIR™ PAT-W for Blend Endpoint Analysis in a High Dosage Product” LINK


“Which regression method to use? Making informed decisions in “data-rich/knowledge poor” scenarios – The Predictive Analytics Comparison framework (PAC)” LINK

“Determination of salvianolic acid B and borneol in compound Danshen tablet by near-infrared spectroscopy and establishment of dependency model” LINK

“Error propagation of partial least squares for parameters optimization in NIR modeling.” LINK

“Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics” LINK

“Predicting pork freshness using multi-index statistical information fusion method based on near infrared spectroscopy.” LINK

“Validation of short wave near infrared calibration models for the quality and ripening of ‘Newhall’ orange on tree across years and orchards” fruits SWNIRS LINK

“Fault detection based on time series modeling and multivariate statistical process control.” LINK


Near Infrared (NIR) Analysis Software, work smart with all NIR Spectrometers for quantitative sensing & detection. | AnalyticalChemistry LabManger Chemical Analysis Equipment ChemicalAnalysis Analytical Instruments Laboratory LabEquipment LINK

New : FREE NIR Predictor Software, drag&drop spectral data to plug&play calibrations, for any NIRS Analysis sensor type. | Chemometrics Prediction LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 32, 2018 | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor LINK

Spettroscopia e Chemiometria Weekly News 32, 2018 | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore LINK

The non-destructive technique such as Near Infrared Spectroscopy NIRS along with Chemometrics can predict quality parameters of measurements by using the free NIR-Predictor Software. QualityControl QualityAssurance foodsafety productinspection LINK


“Estimating soil heavy metals concentration at large scale using visible and near-infrared reflectance spectroscopy.” LINK

“Overall uncertainty measurement for near infrared analysis of cryptotanshinone in tanshinone extract.” LINK


“Hyperspectral imaging reveals wound problems” LINK


“Sensoren machen guten Wein – Mit Hilfe von Sensoren können Winzer Informationen zu Reife, Qualität, Ertragsaussichten und Krankheitsrisiken ihrer Reben erhalten.” LINK


“Fourier transform infrared spectrometer based on an electrothermal MEMS mirror.” LINK


“Discrimination of Milks with a Multisensor System Based on Layer-by-Layer Films” LINK


“Watch out, birders: Artificial intelligence has learned to spot birds from their songs” LINK

Spectroscopy and Chemometrics News Weekly #21-24, 2017


DD-SIMCA A MATLAB GUI tool for data driven SIMCA approach LINK

Fourier transform infrared spectroscopy coupled with chemometrics for determining geographical origin of kudzu root LINK

Chemical Variability & Calibration Algorithms on Prediction of Solid Fraction of Compacted Ribbons Using NIR LINK

Calibration transfer of flour NIR spectra between benchtop and portable instruments LINK

Rapid Prediction of Moisture Content in Intact Green Coffee Beans Using Near Infrared Spectroscopy LINK

Calibration transfer of flour NIR spectra between benchtop and portable instruments LINK

Simultaneous Quantification of Paracetamol and Caffeine in Powder Blends for Tableting by NIR-Chemometry LINK

Model evaluation, model selection, and algorithm selection in machine learning. MachineLearning LINK

Development & Validation of a New Near-Infrared Sensor to Measure Polyethylene Glycol (PEG) Concentration in Water LINK

Near Infrared

In-situ & real-time monitoring of ultrasonic-assisted enzymatic hydrolysis process of corn gluten meal by NIRS LINK

Near-Infrared Spectroscopic Evaluation of Water Content of Molded Polylactide under the Effect of Crystallization LINK

Repetition Suppression in Aging: A Near-Infrared Spectroscopy Study on the Size-Congruity Effect LINK

Broadband Light Source and Its Application to Near-Infrared Spectroscopy | sensor via LINK

Industrial applications using NIR chemical imaging LINK

Analysis of oilseeds for protein, oil, fiber and moisture by near-infrared reflectance spectroscopy LINK

Global Near Infrared Spectroscopy Market to Grow at a CAGR of Over 9% Through 2021, Reports Technavio -Business Wire LINK

Optical Sensors Advancing Precision in Agricultural Production – near-infrared spectroscopy (NIRS) LINK

“Could NIRS be useful to digital agriculture?”, high quality keynote by Veronique Bellon-Maurel from & … LINK!

Near Infrared (NIR) Spectroscopy for plant health monitoring! electronics engineering optics LINK


Raman Spectroscopy of Blood and Blood Components LINK


Short Wave Infrared and its use in Hyperspectral Imaging – SWIR HSI LINK


Make or buy your spectrometer – OEM Spectrometer LINK


Video: How near-infra red technology measures grass quality … LINK


Leveraging IoT to Improve Data Collection for Agriculture LINK

Food & Feed

‘Infrared spectrometers: NIR and MIR compared’ from the course ‘Identifying FoodFraud’. LINK


“Spectroscopy for the Masses” | Spectroscopy via LINK

Online Partial Least Square Optimization: Dropping Convexity for Better Efficiency. LINK

Spectroscopy and Chemometrics News Weekly #34, 2016


NIRS Method Development for Quality Control Laboratory & Analytical Laboratories | lab QAQC NIRS LINK

Spectroscopy and Chemometrics News Weekly 33, 2016 | Molecular Spectroscopy NIRS Chemometrics Software Raman LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 33, 2016 | NIRS Spektroskopie Chemometrie news LINK

Spettroscopia e Chemiometria Weekly News 33, 2016 | NIRS Spettroscopia Chemiometria news LINK


Chemometrics and Spectroscopy Daily News is out on paper.li | Infrared NIRS Sensor Multivariate Prediction Modelling LINK

Process Control

Which fast and non-destructive Analytical Technology do you prefer? Spectroscopy Analysis process manufacturing LINK!

Food & Feed

“Detecting food authenticity and integrity” LINK

Spectroscopy and Chemometrics News Weekly #20, 2016

Near Infrared

RISI Pulp: FITNIR Analyzers implements online FT-NIR analyzer at APP’s OKI pulp and paper mill in Indonesia LINK


Check out 2016 new Spectroscopy Instrumentation review FTIR LINK


Sesotec Sortiersystem (VARISORT)- Materialerkennung basierend auf NIR (Nahinfrarot) mit HSI (Hyperspectral Imaging) LINK


Modular Spectrometers for OEM Integration: LINK

A New Level of Performance in Raman Microscopy: At Analytica 2016, BRUKER launches the Senterra II LINK


FT-NIR Frequently Asked Questions – Producing Polymers/Plastics LINK


The Latest Developments and Applications of Spectroscopy | spectroscopy LINK


Calibration Evaluation, Validation, optimal Statistical Model Selection for NIRS Spectrometry data LINK

Rapid NIR method Development for the quantitative analysis of | predictive sensors ModelSelection LINK

Spectroscopy and Chemometrics News Weekly 19, 2016 | Molecular Spectroscopy NIRS Chemometrics Software Raman LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 19, 2016 | NIRS Spektroskopie Chemometrie news LINK

Spettroscopia e Chemiometria Weekly News 19, 2016 | NIRS Spettroscopia Chemiometria news LINK

NIR Calibration Modeling

The majority of NIR calibrations are generated using a small number of different parameter settings and all too often are restricted to the time a user has available, their spectroscopic and chemometric knowledge and their ability (tedious use of the software) to choose and combine all the possible parameter settings required for good calibrations.

There are many published standards and guidelines (protocols) available for developing NIR calibrations from Standards Consortium such as ASTM, EMEA, ICH, IUPAC, ISO, USP, PASG etc. as well as many good recommendations and guidelines found in various textbooks and papers.

The difficulty with so many ‘Protocols’ for the NIR user is to have them all available and in their thought processes during calibration work and in addition to execute, check and challenge all calibrations generated manually. This is time consuming and sometimes boring repetitive work.

To simplify this for the person generating the NIR Calibrations, we have collected the good practices protocols and integrated them into our service that automates the calibration building and evaluation procedures.

to part 2