Spectroscopy and Chemometrics News Weekly #46, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 45, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Feed Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

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Near-Infrared Spectroscopy (NIRS)

“Predicting soil physical and chemical properties using vis-NIR in Australian cotton areas” LINK

“Monitoring of different metabolic states of Sacchoromyces cerevisiae via NIR spectroscopy at low biomass concentration” LINK

“Measurement of Moisture Content in Lubricating Oils of High-speed Rail Gearbox by Vis-NIR Spectroscopy” LINK

“Investigating FT-NIR Spectral and Color Properties of Lysozyme-Chitosan Coated Egg Freshness during Storage” LINK

“Discrimination of Yellowfin Tuna Origin Based on VIS/NIR Spectroscopy Combined with DBN-BP Neural Networks Algorithm” LINK

“Prediction of Sensory Parameters of Cured Ham: A Study of the Viability of the Use of NIR Spectroscopy and Artificial Neural Networks” sensors LINK

“Development of nearinfrared reflectance spectroscopy (NIRS) calibration for sugar content in ground soybean seed using perten DA7250 analyzer” LINK

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

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

“Occurrence of wooden breast and white striping in Brazilian slaughtering plants and use of near‐infrared spectroscopy and multivariate analysis to identify affected …” LINK

“Predicting terpene content in dried conifer shoots using near infrared spectroscopy” LINK

New Paper: Exploring ATR Fourier transform IR spectroscopy with chemometric analysis and laser scanning microscopy in the investigation of forensic documents fraud | forensics fraud LINK

“Rapid and practical qualitative and quantitative evaluation of non-fumigated ginger and sulfur-fumigated ginger via Fourier-transform infrared spectroscopy and …” LINK

“Determination of bagged ‘Fuji’apple maturity by visible and near-infrared spectroscopy combined with a machine learning algorithm” LINK

“Non-Destructive Monitoring of P. fluorescens and S. epidermidis Biofilm under Different Media by Fourier Transform Infrared Spectroscopy and Other Corroborative Techniques” LINK

Chemometrics and Machine Learning

“Application of near infrared spectroscopy with chemometrics for qualitative and quantitative dental caries assessment” LINK

“Evaluation of Accuracy of Bootstrap-PLSR Model based on Vis-NIR Spectra in Predicting Soil Organic Matter” LINK

“Monitoring of cannabinoids in hemp flours by MicroNIR/Chemometrics.” LINK

“Multivariate classification of Southern Brazilian table wines” LINK

“Insights into chemical and sensorial aspects to understand and manage beer aging using chemometrics” LINK

“Rapid detection of green pea adulteration in pistachio nuts using raman spectroscopy and chemometrics” LINK

“Transforming data to information: A parallel hybrid model for realtime state estimation in lignocellulosic ethanol fermentations” LINK

“Feasibility Study of Visual Computing and Machine Learning Application for Textile Material Sorting” LINK

Equipment for Spectroscopy

“Predicting the Content of 20 Minerals in Beef by Different Portable Near-Infrared (NIR) Spectrometers” LINK

Process Control and NIR Sensors

“Process Control of Drug Product Continuous Manufacturing Operations—a Study in Operational Simplification and Continuous Improvement” LINK

Environment NIR-Spectroscopy Application

“Advances on Water Quality Detection by UV-Vis Spectroscopy” LINK

Agriculture NIR-Spectroscopy Usage

“Additives and soy detection in powder rice beverage by vibrational spectroscopy as alternative to quality and safety control” LINK

“Rapid prediction of milk powder quality by hyperspectral imaging” LINK

“Near-infrared hyperspectral imaging for deoxynivalenol and ergosterol estimation in wheat samples” LINK

“Hyperspectral spectroscopy and imbalance data approaches for classification of oil palm’s macronutrients observed from frond 9 and 17” LINK

“Predicting micronutrients of wheat using hyperspectral imaging.” LINK

“In-field hyperspectral imaging: An overview on the ground-based applications in agriculture” LINK

“The effect of whey supplementation on the nutritive value of fermented forage from semi-natural grassland” LINK

Food & Feed Industry NIR Usage

“Chemical and Physical Properties of Meadowfoam Seed Oil and Extra Virgin Olive Oil: Focus on Vibrational Spectroscopy” LINK

“Quantification of beef, pork, and chicken in ground meat using a portable NIR spectrometer” LINK

Medicinal Spectroscopy

“An Accurate Noninvasive Blood Glucose Measurement System Using Portable Near-Infrared Spectrometer and Transfer Learning Framework” LINK


“Map-based site-specific seeding of seed potato production by fusion of proximal and remote sensing data” LINK


Spectroscopy and Chemometrics News Weekly #21, 2019


Near Infrared (NIR) Analysis Software, work smart with all NIR Spectrometers for quantitative sensing & detection. NIRS Prediction model software | NIR Lab Application Software | Software Tool for Chemometric Application | Evaluate and develop NIR spectroscopy applications | AnalyticalChemistry LabManger Chemical Analysis Equipment ChemicalAnalysis Analytical Instruments Laboratory LabEquipment LINK

Spectroscopy and Chemometrics News Weekly 20, 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 20, 2019 | NIRS NIR Spektroskopie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 20, 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 your-Company-Name-here – Low-Cost-NIRS-Sensors. Check out their product page … link


“Rapid Recognition of Geoherbalism and Authenticity of a Chinese Herb by Data Fusion of Near-Infrared Spectroscopy (NIR) and Mid-Infrared (MIR) Spectroscopy Combined with Chemometrics” LINK

“Quality Control Parameters in the Roasted Coffee Industry: a Proposal by Using MicroNIR Spectroscopy and Multivariate Calibration” LINK

“复烤片烟常规化学成分的傅里叶变换近红外光谱法的模型转移” “Model Transfer of Routine Chemical Components in Redried Lamina on Fourier Transform Near Infrared Spectroscopy” LINK

“Near-Infrared Spectroscopy for Non-Destructive Prediction of Maturity and Eating Quality of ‘Carabao’Mango (Mangifera indica L.) Fruit” LINK

“The feasibility study of non-destructive detection of cashmere by near-infrared spectroscopy and data driven-based class-modeling” LINK

“On a partial least squares regression model for asymmetric data with a chemical application in mining” LINK

“Optimizing genetic algorithmpartial least squares model of soluble solids content in Fukumoto navel orange based on visiblenearinfrared transmittance spectroscopy using discrete wavelet transform” LINK

“Correlation between the composition of green Arabica coffee beans and the sensory quality of coffee brews.” LINK

“Monitoring model for predicting maize grain moisture at the filling stage using NIRS and a small sample size” LINK

“Argan oil authentication using visible/near infrared spectroscopy combined to chemometrics tools” LINK

Near Infrared

“Quality evaluation of grapes for mechanical harvest using vis NIR spectroscopy” LINK

“FT-NIR spectroscopy coupled with multivariate analysis for detection of starch adulteration in turmeric powder” LINK

Is the gravimetric water content true? NIR spectroscopy gives an answer for polymers and composites – LINK

“Tissue Monitoring with Novel Broadband Light Emitting Diode-Based Near-Infrared Spectroscopy Device” LINK

“Effectiveness of 6-Ischemic Cuff Near Infrared Spectroscopy Mitochondrial Capactity Test” LINK

“Combining Visible− Near-Infrared and Pedotransfer Functions for Parameterization of Tile Drain Flow Simulations” LINK

“Rapid Determination of Chlorogenic Acid, Luteoloside and 3, 5-O-dicaffeoylquinic Acid in Chrysanthemum Using Near-Infrared Spectroscopy” LINK

“Nondestructive Determination and Visualization of Quality Attributes in Fresh and Dry Chrysanthemum morifolium Using Near-Infrared Hyperspectral Imaging” LINK

“Monitoring quality and safety assessment of summer squashes along the food supply chain using near infrared sensors” vegetable LINK


“Quantitation of trace amorphous solifenacin succinate in pharmaceutical formulations by transmission Raman spectroscopy.” LINK


“Estimation of paddy rice leaf area index using machine learning methods based on hyperspectral data from multi-year experiments.” LINK


New post: New approach for fibre-based imaging spectrometer | imaging spectroscopy LINK

New product: PocketHawk compact 330–1050 nm spectrometer | UVVIS NIR spectroscopy LINK

New product: NIR MEMS spectrometer | MEMS NIR LINK

Process Control

“Improved solubility of asymmetric tetraethynylporphyrin derivatives for solution-processed organic solar cells” LINK




Understanding near infrared spectroscopy and its application to skeletal muscle research – new review article in LINK


New product: Hitachi High-Tech Analytical Science launches new Vulcan+ LIBS range | LIBS LINK

“Winter and summer annual biotypes of camelina have different morphology and seed characteristics” LINK

Spectroscopy and Chemometrics News Weekly #3+4, 2017


Fast sampling, analyses and chemometrics for plantbreeding: Bitter acids, xanthohumol and terpenes in lupulin … LINK

Near Infrared

Measurement of Soy Contents in Ground Beef Using Near-Infrared Spectroscopy LINK

Near infrared spectroscopy for body fat sensing in neonates: quantitative analysis by GAMOS simulations | Bodyfat LINK

Fatty acids and fat-soluble vitamins in ewe’s milk predicted by near infrared reflectance spectroscopy. | NIRS LINK

NeoSpectra Micro, a small, chip-scale, near infra-red (NIR) spectral sensor – LINK


Drones on the Farm: Agribotix Partners with senseFly, and Sentera Announces Real-Time NDVI Streaming LINK

Early Detection of Aspergillus parasiticus Infection in Maize Kernels Using NIR Hyperspectral Imaging and MDA LINK

Nondestructive Estimation of Moisture Content, pH and Soluble Solid Contents in Intact Tomatoes Using HSI LINK


Spectrometers: Excitation source parameters dictate Raman spectroscopy outcomes LINK


Is molecular scanning the next killer smartphone app? killerapp futuretrends sensorik sensor LINK


It took 50 years for the world to install the first million industrial robots. The next million will take only eight … LINK!

“How Statistics lost their power – and why we should fear what comes next” | BigDataAnalytics bigdata LINK

Summary of the NIR Chemometric survey polls

Summary of the NIR Chemometric survey polls (as of end of Sept. 2013)

The interesting finding is that most of the answers fit the following pattern. The most companies that use NIR have one NIR Instrument and only one employee that is able to develop NIR calibrations. For that the most common off-the-shelf chemometrics program is used and spent 2 hours or over a month and therefore gets no calibration training about the complex topics like Chemometrics and NIR Spectroscopy or only once (introduction). The calibration maintenance ranges from never to 3 times a year. Interestingly, there was no one who uses portable NIR instruments. We continue our surveys, for the discovery of new trends. Conclusion Seeing this picture, we think that there is huge potential to improve the calibrations. Advanced knowledge can help individuals to build the calibrations with best practices and improve their models accuracy and reliability. Once the decision and investment in NIR technology is done, you should get the best out of your data, because this extra NIR performance can be given by calibration optimization. We offer this as an easy to use and independent service.

NIR Spectroscopy and Chemometric surveys, inquiry, polls and assessments (Part 3)

10. NIR in Supply Chain
Where in the supply chain are your NIR instruments located?

11. NIR Usage
How long has your company used NIR spectroscopy?

12. NIR instruments
How many NIR instrument units are in use in your company?

13. NIR Mobile
How much is the mobile hand-held percentage of total NIR devices in your company?

14. Calibration Source
How do you get the NIR Calibrations developed?

15. Calibration Training
How often do the operators get training about NIR Spectroscopy and Chemometrics?

16. NIR PreCalibrations
How many NIR Pre-Calibration, NIR factory calibrations or NIR starter calibrations have you in use?

17. Calibration Spectra
How many Spectra does your quantitative Calibration have in average?

Please vote and see the assessments below.

Part 1, Part 2
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Part 1, Part 2

NIR Spectroscopy and Chemometric surveys, polls and assessments (Part 2)

5. Calibration Precision
What do you believe, can NIR calibration models be more precise than reference values?

6. Calibration Maintenance
How often do you update your quantitative calibrations per year?

7. Quantitative Calibrations
How many quantitative (%) calibrations do you have in use?

8. Quantitative Parameters
In all your quantitative calibrations, how many parameters (properties) you have in total?

9. Qualitative Calibrations
How many qualitative (identification) calibrations do you have in use?

Please vote and see the assessments below.
Part 1, Part 3
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Part 1, Part 3

NIR Calibration Service

New : free NIR-Predictor Software for all NIR instrument types! Analyze your samples.

Services and software for data analysis and analytical modeling for spectroscopy.

This NIR calibration service provides the custom development of optimal quantitative NIR calibration models based on your collected NIR and reference data for vendor independent full range NIR spectrometer analyzers (NIR = Near Infra Red spectroscopy) based on chemometric multivariate methods like Partial Least Square Regression (PLS, PLSR) and Principal Component Regression (PCR).

The key points

The NIR calibration model is decisive for the analysis accuracy.

NIR analysis results make the difference.

Near-Infrared Data Modeling Calibration Service

The problems

Imagine how many publications and literature of NIR spectroscopy (JNIRS) and chemometrics (Journal of Chemometrics) is present.

Did you find the time for the right to designate to read, to study, to incorporate them into practice? Do you have all this knowledge at your calibration developments always present, that you consider anything important, the statistical results, interpret them correctly, analyze the graphs accurately and apply all the tips & tricks of optimizing correctly?

We have the solution for you!

We’ll help you to create and optimize your calibrations. We will help you for the time-consuming and knowledge-intensive part. You get the best calibration solution and decide for yourself

Try it and see for yourself