Spectroscopy and Chemometrics/Machine-Learning News Weekly #40, 2021

NIR Calibration-Model Services

Improve Accuracy of fast Nondestructive NIR Analytics by Optimal Calibration | Food Feed FoodSafety ag Lab LINK

Increase Your Profit with optimized NIR Accuracy Process Protein Oil plastic colors paints milk soy Soybean LINK

Spectroscopy and Chemometrics News Weekly 39, 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 39, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 39, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“Convenient use of near-infrared spectroscopy to indirectly predict the antioxidant activitiy of edible rose (Rose chinensis Jacq “Crimsin Glory” HT) petals during …” LINK

“Near-infrared emission from spatially indirect excitons in type II ZnTe/CdSe/(Zn,Mg)Te core/double-shell nanowires” LINK

“Rapid Detection of Fatty Acids in Edible Oils Using Vis-NIR Reflectance Spectroscopy with Multivariate Methods” LINK

“An Improved Residual Network for Pork Freshness Detection using Near-Infrared Spectroscopy” LINK

“Methylglyoxal Adducts Levels in Blood Measured on Dried Spot by Portable Near-Infrared Spectroscopy” LINK

“Application of Near-Infrared Spectroscopy to statistical control in freeze-drying processes” LINK

“TeaNet: Deep learning on Near-Infrared Spectroscopy (NIR) data for the assurance of tea quality” LINK

“Detecting Residual Awareness in Patients With Prolonged Disorders of Consciousness: An fNIRS Study” | LINK

“Dry Matter Estimation of Standing Corn with Near-infrared Reflectance Spectroscopy” LINK

“Conditional-GAN Based Data Augmentation for Deep Learning Task Classifier Improvement Using fNIRS Data” | LINK

“Application of Various Algorithms for Spectral Variable Selection in NIRS Modeling of Red Ginseng Extraction” LINK

“Vis-NIR hyperspectral imaging along with Gaussian process regression to monitor quality attributes of apple slices during drying” LINK

“Potential of Near Infrared Spectroscopy as a Rapid Method to Discriminate OTA and Non-OTA-Producing Mould Species in a Dry-Cured Ham Model System” LINK

“Pendugaan Tingkat Fermentasi Kakao Secara Non-Destruktif dengan NIRS” LINK

“Penentuan Tingkat Kekerasan dan Kemanisan Buah Naga Merah (Hylocereus polyrhizus) Secara Nondestruktif Menggunakan Near Infrared Spectroscopy (NIRS)” LINK




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

” A NOVEL PROTEIN STRUCTURE ELUCIDATION TECHNIQUE BY CIRCULAR DICHROISM AND NEAR INFRARED SPECTROSCOPY” LINK

“A novel strategy of “pick the best of the best” for the nondestructive identification of Poria cocos based on near-infrared spectroscopy” LINK

“The Neural Processing of Vocal Emotion After Hearing Reconstruction in Prelingual Deaf Children: A Functional Near-Infrared Spectroscopy Brain Imaging Study” LINK

“Antinutrient to mineral molar ratios of raw common beans and their rapid prediction using near-infrared spectroscopy” LINK

“Effect of spectral pretreatment on qualitative identification of adulterated bovine colostrum by near-infrared spectroscopy” LINK

“A Rotational-Linear Sample Probing Device to Improve the Performance of Compact Near-Infrared Spectrophotometers” LINK

“Machine Learning Calibration for Near TS Infrared Spectroscopy Data: A Visual kkS Programming Approach” LINK




Hyperspectral Imaging (HSI)

“Selecting informative bands for partial least squares regressions improves their goodness-of-fits to estimate leaf photosynthetic parameters from hyperspectral data” LINK

“Hyperspectral detection of salted sea cucumber adulteration using different spectral preprocessing techniques and SVM method” LINK

“An automated approach for fringe frequency estimation and removal in infrared spectroscopy and hyperspectral imaging of biological samples” LINK

“New evidence from hyperspectral imaging analysis on the effect of photobiomodulation therapy on normal skin oxygenation” LINK




Chemometrics and Machine Learning

“The Use of Chemometrics for Classification of Sidaguri (<i>Sida rhombifolia</i>) Based on FTIR Spectra and Antiradical Activities” LINK

“Massive spectral data analysis for plant breeding using parSketch-PLSDA method: Discrimination of sunflower genotypes” LINK

“Htype indices with applications in chemometrics I: hmultiple similarity index” LINK

“Near-Infrared Spectroscopy and Machine Learning-Based Classification and Calibration Methods in Detection and Measurement of Anionic Surfactant in Milk” LINK

“Remote Sensing : Validation of FY-3D MERSI-2 Precipitable Water Vapor (PWV) Datasets Using Ground-Based PWV Data from AERONET” LINK

“Verified the rapid evaluation of the edible safety of wild porcini mushrooms, using deep learning and PLS-DA” LINK

“Foods : Imaging Spectroscopy and Machine Learning for Intelligent Determination of Potato and Sweet Potato Quality” LINK

“Estimating the Forage Neutral Detergent Fiber Content of Alpine Grassland in the Tibetan Plateau Using Hyperspectral Data and Machine Learning Algorithms” LINK

“Optical spectroscopy methods for the characterization of sol-gel materials” LINK

“Sensors : Machine Learning Enhances the Performance of Bioreceptor-Free Biosensors” LINK

“Agronomy : How Different Cooking Methods Affect the Phenolic Composition of Sweet Potato for Human Consumption (Ipomea batata (L.) Lam)” LINK




Equipment for Spectroscopy

“Miniaturized VIS-NIR Spectrometers Based on Narrowband and Tunable Transmission Cavity Organic Photodetectors with Ultrahigh Specific Detectivity above 10(14) Jones” LINK

In the market for a palm spectrometer, bandpass filter, or microscopy stage? Those and more are featured in the October Product Showcase out today. | photonics optics LINK

“PORTABLE NEAR INFRARED SPECTROMETER DENGAN SENSOR AS7263 UNTUK PENDUGAAN SIFAT KIMIA JERUK SIAM (CITRUS NOBILIS) SECARA NON …” LINK




Process Control and NIR Sensors

“Multi-modal diffuse optical spectroscopy for high-speed monitoring and wide-area mapping of tissue optical properties and hemodynamics” LINK

“Process analytical technique (PAT) miniaturization for monoclonal antibody aggregate detection in continuous downstream processing” LINK

“Development of a Robust Control Strategy for Fixed-Dose Combination Bilayer Tablets with Integrated Quality by Design, Statistical, and Process Analytical …” LINK




Environment NIR-Spectroscopy Application

“Recent Advances in Plasmonic Photocatalysis Based on TiO2 and Noble Metal Nanoparticles for Energy Conversion, Environmental Remediation, and Organic Synthesis” LINK

“Mapping liquid water content in snow: An intercomparison of mixed-phase optical property models using hyperspectral imaging and in situ measurements” LINK

“Estimating Atterberg limits of soils from reflectance spectroscopy and pedotransfer functions” LINK




Agriculture NIR-Spectroscopy Usage

“Seeing the wood for the trees: hyperspectral imaging for high throughput QTL detection in raspberry, a perennial crop species” LINK

“Agronomy : Effect of Different Edaphic Crop Conditions on the Free Amino Acid Profile of PH-16 Dry Cacao Beans” LINK




Horticulture NIR-Spectroscopy Applications

“Application of Hyperspectral Imaging for Maturity and Soluble Solids Content Determination of Strawberry With Deep Learning Approaches” LINK

“Predicting soluble solids content in “Fuji” apples of different ripening stages based on multiple information fusion” LINK




Food & Feed Industry NIR Usage

“Effects of cultivars and fertilization levels on the quality of brown and polished rice” LINK

“Foods : Physicochemical and Functional Properties of Snack Bars Enriched with Tilapia (Oreochromis niloticus) by-Product Powders” LINK

“Using data science to combat poverty” | BASE foodwaste LINK

“Foods : HPLC Fingerprints for the Characterization of Walnuts and the Detection of Fraudulent Incidents” LINK

“A novel approach to identify the spectral bands that predict moisture content in canola and wheat” LINK




Medicinal Spectroscopy

“Investigating spectroscopic measurement of sublingual veins and tissue to estimate central venous oxygen saturation” LINK

“Detection of the Communication Site by Indocyanine Green Adsorbed to Human Serum Albumin Fluorescence During Surgery for a Pleuroperitoneal …” LINK

“INFLUENCE OF SEX ON LOWER LIMB SKELETAL MUSCLE OXIDATIVE CAPACITY AND MUSCLE DIFFUSION IN ENDURANCE TRAINED INDIVIDUALS” LINK




Other

“Efecto del ambiente ruminal y la fuente de fibra sobre la dinámica de desaparición de la materia orgánica y sus componentes en bovinos en confinamiento.” LINK

“催熟对采后菠萝品质的影响与光谱识别” LINK



NIR Analysis in Laboratory and Laboratories – aka NIR Labs and NIR testing


Do you have a NIR spectrometer in your Lab?

How many other analytics you do in the Lab could be done faster and cheaper with NIR?

Is this possible and precise enough?

Try, we have the solution for you!
You have the NIR, scan the samples, you have the lab values and the spectra, we calibrate for you!

To see if the application is possible and how precise it can be due to knowledge based intensive model optimizations.

We do the NIR feasibility study with data for you. Fixed prices

NIR has huge application potentials and it’s a Green analytical method, that’s fast and easy to use. And has today the possibility to scale out with inexpensive mobile NIR spectrometers.

Bring the Lab to the sample. To avoid sample transport and get immediate results for decision at the place or in the process.

Just try the NIR application, use the NIR daily, collect data in parallel, we develop, optimize and maintain the calibration models for you.

How do you think?

Start Calibrate


What is possible today with NIR?
The number of different Applications exploded in the last 2-3 years!
See NIR research papers news daily on @CalibModel or the 7-day summariesNIR News Weekly” here.

Spectroscopy and Chemometrics News Weekly #34, 2020

NIR Calibration-Model Services

Got a NIRspectrometer and need help for application development? chemometrics multivariate prediction NIRS LINK

Spectroscopy and Chemometrics News Weekly 33, 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 33, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 33, 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)

“Using visible near-infrared reflectance spectroscopy (VNIRS) of lake sediments to estimate historical changes in cyanobacterial production: potential and challenges” LINK

“Inversion of soil heavy metals in Guanzhong area of Shaanxi based on VIS-NIR spectroscopy” LINK




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

“In-field measurement of starch content of cassava tubers using handheld vis-near infrared spectroscopy implemented for breeding programmes” LINK

“Near-infrared reflectance spectroscopy-based fast versicolorin A detection in maize for early aflatoxin warning and safety sorting.” LINK

“Egg freshness prediction using a comprehensive analysis based on visible near infrared spectroscopy” LINK

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

“Signal-to-Noise Ratio Contributors and Effects in Proximal Near-Infrared Spectral Reflectance Measurement on Plant Leaves” LINK

“Non-destructive analysis of Japanese table grape qualities using near-infrared spectroscopy” LINK

“Classifying Cannabis Sativa Flowers, Stems and Leaves using Statistical Machine Learning with Near-Infrared Hyperspectral Reflectance Imaging” LINK

“Near infrared spectroscopy to evaluate change in color and chemical composition in heat-treated bamboo” LINK

“Mid-Infrared Reflectance Spectroscopy of Oil Sands Minerals Based on Tunable Quantum Cascade Lasers” LINK

“Accurate Prediction of Sensory Attributes of Cheese Using Near-Infrared Spectroscopy Based on Artificial Neural Network.” LINK

“Near-Infrared Reflectance Spectroscopy-based Fast Versicolorin A Detection in Maize for Early Aflatoxin Warning and Safety Sorting” LINK

“Near-Infrared Spectroscopy in Bio-Applications” LINK




Raman Spectroscopy

“Sensors, Vol. 20, Pages 3723: High-Throughput Phenotyping Approach for Screening Major Carotenoids of Tomato by Handheld Raman Spectroscopy Using Chemometric Methods” LINK

“Chemical Bleaching to Minimize Fluorescence Interference in Raman Spectroscopic Measurements for Sulfonated Polystyrene Solutions” LINK




Hyperspectral Imaging (HSI)

“Comparison between Hyperspectral Imaging and Chemical Analysis of Polyphenol Oxidase Activity on Fresh-Cut Apple Slices” LINK




Chemometrics and Machine Learning

“Food Quality Assessed by Chemometrics” LINK

“Foods, Vol. 9, Pages 880: HPLC-Based Chemometric Analysis for Coffee Adulteration” LINK

“Foods, Vol. 9, Pages 876: Non-Targeted Detection of Adulterants in Almond Powder Using Spectroscopic Techniques Combined with Chemometrics” LINK

“Model-Based Process Optimization for the Production of Macrolactin D by Paenibacillus polymyxa” LINK

“Rapid detection model of Bacillus subtilis in solid-state fermentation of rapeseed meal” LINK

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

“Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids” LINK

“Identification and Quantification of Adulterants in Coffee (Coffea arabica L.) Using FT-MIR Spectroscopy Coupled with Chemometrics” Foods LINK




Equipment for Spectroscopy

“Rapid and Robust OnScene Detection of Cocaine in Street Samples using a Handheld Near Infrared Spectrometer and Machine Learning Algorithms” LINK

“Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer Under Modulated–Pulsed Light Source Excitation” LINK




Agriculture NIR-Spectroscopy Usage

“RobHortic: A Field Robot to Detect Pests and Diseases in Horticultural Crops by Proximal Sensing” Agriculture LINK

“… Agriculture Technology and Farm Data: A Case Study on Swedish Grain Farmers and On-Combine Near-Infrared Spectroscopy for Quality Measurement” LINK




Chemical Industry NIR Usage

“Benzothiadiazole Bridged EDOT Based Donor-Acceptor Polymers With Tunable Optical, Electrochemical, Morphological and Electrochromic Performance: Effects of …” LINK




Pharma Industry NIR Usage

“Validation and comparison of different near-infrared quantitative methods to rapid determination of the total content of anthraquinones in Rhubarb based on accuracy …” LINK

“Feature Selection and Rapid Characterization of Bloodstains on Different Substrates” LINK




Other

“Application of Optical Technologies in the US Poultry Slaughter Facilities for the Detection of Poultry Carcass Condemnation.” LINK





Pricing

Basic Software and Services

NIR-Predictor Software
Unlimited predictions.
No internet access needed.
FREE
overview , info , download

Calibration Development and Usage


We develop optimal Calibrations for you.
The service includes Calibration* development with the NIR and laboratory data you provide and the usage period of the Calibration on your defined systems*.
Calibration performance statistic and graph are available in the Web-Shop before purchase, where you can select your suitable calibrations.

You can choose your calibration to work on how many of your systems and the usage period.
You can get calibrations with short usage period for starting model building with small data and collecting more during the use of the model.
When you have collected more data, create a new extended model by the same process.

One-time fee per Calibration file download. Depending on the usage period and the number of systems using the calibration.

1 Month 3 Months 6 Months 1 Year Perpetual
1 System €133 €143 €157 €178 €248
2 Systems €135 €149 €168 €199 €298
3 Systems €137 €154 €177 €215 €336
Unlimited €143 €173 €214 €278 €488


Definitions:
*) Calibration : one calibration per property (chemical-, biochemical-, physicochemical- or physical-property, constituent, analyte, ingredient, parameter or attribute value).
Calibration is delivered as a file (.cm) for local use with the free NIR-Predictor Software (no internet connection needed for predictions).
*) System : one sensor with NIR-Predictor software.
*) Unlimited: the calibration can be used with unlimited number of systems.
*) Perpetual: endless usage period of the calibration.
*) Service explained


Extend Calibration Usage later on


The data owner can submit a calibration file to extend the usage period for any systems.

One-time fee per Calibration file download. Depending on the usage period and the number of systems using the calibration.

1 Year Perpetual
1 System €60 €120
2 Systems €85 €170
3 Systems €104 €208
Unlimited €180 €360

Optional Software and Services

JCAMP-Anonymizer Software
Single place license.
One-time fee per download.
€249
Optimal Calibration Wavelength Selection
One-time fee per download.
€163
Complete Calibration Settings as Calibration Report
Includes complete Intellectual Property (IP).
Allows to re-create the model in any chemometric software.
One-time fee per download.
€598

Conditions

Payment is a One-time fee per download (no setup fee, no registration needed, without a subscription).
One-time charge for a set amount of time. Unused time is non-refundable.

Payment by Credit Card are serviced by PayPal (you don’t need a PayPal account, use “PayPal Guest Checkout”).

Calibration delivery time is maximal 3 business days (via email, download).

Prices can change dynamically every day. To get notified you can use: Google Alerts ‘website change notification’ or visualping.io ‘monitor webpages’

See also Terms of Service


Price considerations

You get a free NIR-Predictor software and can locally do unlimited predictions (no internet access needed).

You don’t need to buy an expensive chemometric software license with updates and training days.

You don’t need to waste your time on trial-and-error process to find optimal model parameter settings and waiting for calculations.

Cost comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy



Start Calibrate