Spectroscopy and Chemometrics/Machine-Learning News Weekly #23, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 22, 2022 | 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 22, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 22, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“Sensors : Potential of Near-Infrared Spectroscopy for the Determination of Olive Oil Quality” LINK

“Physiological variable predictions using VIS-NIR spectroscopy for water stress detection on grapevine: Interest in combining climate data using multiblock method” LINK

“SpectraNet-53: A deep residual learning architecture for predicting soluble solids content with VIS-NIR spectroscopy” LINK

“Measurement of water-holding capacity in fermented milk using near-infrared spectroscopy combined with chemometric methods” LINK

“Investigating the water structures in reverse micelles by temperature-dependent near infrared spectroscopy combined with independent component analysis” LINK

“Chemosensors : Digital Detection of Olive Oil Rancidity Levels and Aroma Profiles Using Near-Infrared Spectroscopy, a Low-Cost Electronic Nose and Machine Learning Modelling” LINK

“A new variant position of head-up CPR may be associated with improvement in the measurements of cranial near-infrared spectroscopy suggestive of an increase in …” LINK

“Design of an Integrated Near-Infrared Spectroscopy Module for Sugar Content Estimation of Apples” | LINK

“Comparison of several strategies for the deployment of a multivariate regression model on several handheld NIR instruments. Application to the Quality Control of …” LINK

“Cross-Modal Transfer Learning From EEG to Functional Near-Infrared Spectroscopy for Classification Task in Brain-Computer Interface System” | |(08)70223-0 LINK

“Novel Application of NIR Spectroscopy for Non-Destructive Determination of ‘Maratina’ Wine Parameters” LINK

“Effects of degraded speech processing and binaural unmasking investigated using functional near-infrared spectroscopy (fNIRS)” LINK

“Rapid monitoring of flavonoid content in sweet tea (Lithocarpus litseifolius (Hance) Chun) leaves using NIR spectroscopy” | LINK

“Simultaneous determination of apparent amylose, amylose and amylopectin content and classification of waxy rice using near-infrared spectroscopy (NIRS)” LINK

“Design of an Integrated Near-Infrared Spectroscopy Module for Sugar Content Estimation of Apples” LINK

“Nondestructive Testing of Pear Based on Fourier Near-Infrared Spectroscopy” | LINK

“NIRSCAM: A Mobile Near-Infrared Sensing System for Food Calorie Estimation” LINK

“Potential of Near-Infrared Spectroscopy for the Determination of Olive Oil Quality” | LINK

“A new concept of acousto-optic tunable filter-based near-infrared hyperspectral imager for planetary surface exploration” LINK

“Multivariety and multimanufacturer drug identification based on near-infrared spectroscopy and recurrent neural network” | LINK

“Rapid identification of lamb freshness grades using visible and near-infrared spectroscopy (Vis-NIR)” LINK

“Blended Fabric with Integrated Neural Network based on Attention Mechanism Qualitative Identification Method of Near Infrared Spectroscopy” LINK

“ex type determination in papaya seeds and leaves using near infrared spectroscopy combined with multivariate techniques and machine learnin” LINK

“Enhancing count of Aspergillus colony in wheat based on nanoparticles modified chemo-responsive dyes combined with visible/near-infrared spectroscopy” LINK




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

“Physicochemical Properties and Detection of Glucose Syrup Adulterated Kelulut (Heterotrigona Itama) Honey Using Near‐Infrared Spectroscopy” LINK

“Applied Sciences : Use of Fourier-Transform Infrared Spectroscopy for DNA Identification on Recycled PET Composite Substrate” LINK

“Identification of Five Similar Cinnamomum Wood Species Using Portable Near-Infrared Spectroscopy” LINK

“Rapid identification of the geographic origin of Taiping Houkui green tea using nearinfrared spectroscopy combined with a variable selection method” LINK

“A Fast Method to Sparse Reconstruction for Near-infrared Spectroscopy” LINK

“Thermal-Infrared Spectral Feature Analysis and Spectral Identification of Monzonite Using Feature-Oriented Principal Component Analysis” LINK

“Nondestructive quality assessment of longans using near infrared hyperspectral imaging” LINK




Raman Spectroscopy

“Biomedicines : Lung Cancer: Spectral and Numerical Differentiation among Benign and Malignant Pleural Effusions Based on the Surface-Enhanced Raman Spectroscopy” LINK

“Robust Encapsulation of Biocompatible Gold Nanosphere Assemblies for Bioimaging via Surface Enhanced Raman Scattering” LINK




Hyperspectral Imaging (HSI)

“Detecting aggressive papillary thyroid carcinoma using hyperspectral imaging and radiomic features” LINK

“Quantitative Detection of Myoglobin Content in Tan Mutton During Cold Storage by Near-infrared Hyperspectral Imaging” | LINK

“Rapid and non-destructive detection of natural mildew degree of postharvest Camellia oleifera fruit based on hyperspectral imaging” LINK

“A new quantitative index for the assessment of tomato quality using Vis-NIR hyperspectral imaging” LINK




Chemometrics and Machine Learning

“Authenticity green coffee bean species and geographical origin using near‐infrared spectroscopy combined with chemometrics” LINK

“Advanced process control for salvianolic acid A conversion reaction based on data-driven and mechanism-driven model” LINK

“A comparison of benchtop and micro NIR spectrometers for infant milk formula powder storage time discrimination and particle size prediction using chemometrics and …” LINK

“Origin identification of foxtail millet (Setaria italica) by using green spectral imaging coupled with chemometrics” LINK

“A two-dimensional sample screening method based on data quality and variable correlation” LINK




Research on Spectroscopy

“Novel regularization method for diffuse optical tomography inverse problem” LINK




Equipment for Spectroscopy

“Advances in costeffective integrated spectrometers” IoT miniature sensors applications LINK




Environment NIR-Spectroscopy Application

“Particle densities of cultivated south greenlandic soils can be explained by a three‐compartment model, pedotransfer functions, and a vis-NIR spectroscopy model” LINK




Agriculture NIR-Spectroscopy Usage

“Polymers : Preparation of a Novel Nanocomposite and Its Antibacterial Effectiveness against Enterococcus faecalis—An In Vitro Evaluation” LINK

“Synthesis of a mixedvalent europium(II, III)borate and its optical and magnetic behavior” LINK

“Performance of analytical techniques (SWIR imaging, XRD, EPMA) for the identification of minerals frequently formed during natural and technological geothermal …” LINK

“Functional N-cycle genes in soil and N2O emissions in tropical grass-maize intercropping systems” LINK

“Agriculture : Forever Young? Late Shoot Pruning Affects Phenological Development, Physiology, Yield and Wine Quality of Vitis vinifera cv. Malbec” LINK

“Aquaphotomic, E-Nose and Electrolyte Leakage to Monitor Quality Changes during the Storage of Ready-to-Eat Rocket” LINK

“Investigation of physicochemical properties, photoluminescence, laser damage threshold, antimicrobial, NLO activity of L-proline manganese chloride monohydrate …” | LINK




Horticulture NIR-Spectroscopy Applications

“Consensual Regression of Soluble Solids Content in Peach by Near Infrared Spectrocopy” | LINK




Food & Feed Industry NIR Usage

“Quantitative assessment of wheat quality using nearinfrared spectroscopy: A comprehensive review” LINK

“Calculation of the Mixing Time as a Function of the Dairy Cow Diet Chemical Homogeneity Inside the Mixing Hopper” | LINK

“Discrimination of centre composition in panned chocolate goods using nearinfrared spectroscopy” LINK

“Advanced Spectroscopic Techniques for Food Quality” FoodQuality FoodSecurity FoodSafety Spectroscopy LINK

“CONCISE REVIEWS AND HYPOTHESES IN FOOD SCIENCE” LINK

“Adulteration detection technologies used for halal/kosher food products: an overview” | LINK

“Synthesis and characterization of theJapanese rice-ball’-shaped Molybdenum Blue Na4 [Mo2O2 (OH) 4 (C6H4NO2) 2] 2 [Mo120Ce6O366H12 (OH) 2 (H2O) 76]∼ …” LINK




Pharma Industry NIR Usage

“Detection of low numbers of bacterial cells in pharmaceutical drug product using Raman Spectroscopy and PLS-DA multivariate analysis” LINK




Laboratory and NIR-Spectroscopy

“Multifunctional superhydrophobic and cool coating surfaces of the blue ceramic nanopigments based on the heulandite zeolite” LINK




Other

“Influence of anisotropy on heterogeneous nucleation of gold nanorod assemblies” LINK

“Phenomic selection: A new and efficient alternative to genomic selection” | LINK





How to start building a NIR Calibration (a NIR prediction model)?

With at least 60-100 different NIR measured samples with different Lab values
we can develop a quantitative NIR Calibration for you!

You don’t need to operate with expensive Chemometric Software.
Don’t worry, prices are inexpensive for that and all software you need is included.
Price comparison

The free NIR-Predictor software allows to combine your measured NIR-Spectra with the Lab values of the samples. And checks your data and creates a Calibration Request file for you. NIR-Predictor Info

With that you can order your individual customized calibration, by sending the Calibration Request file to info@CalibrationModel.com.

After processing you will get an Email with a link to access your customize calibrations in our WebShop where you can purchase and download the calibration file immediately
for use in the included free NIR-Predictor software to get results predicted out of spectra files. NIR-Predictor software

For your Calibration start-up cycle we provide low-price short living calibrations, that work for e.g. 3 or 6 months. Pricing

During that Calibration usage time you have measured more samples and collected more NIR and Lab data to build a bigger and better calibration.
E.g. you got samples that extend the range of the constituents.
Or you have collected the Lab values of additional constituents.

Yes out of an measured NIR-Spectrum you can get multiple constituents predicted at the same time (a quantitative calibration per constituent is needed).

And NIR-Predictor does handle this with ease and creates NIR Prediction Reports (printable, archive-able) of all the calibrations you have in folder named with e.g. “MyFruitApplication”.

And having multiple such applications, in NIR-Predictor you can easily switch between the applications for analyzing new NIR spectra files.

The NIR spectra files are found from the stored or exported folder from your NIR-Spectrometer software. supported File Formats



NIR Calibration Service explained


Start Calibrate

NIR-Predictor Download

The free NIR-Predictor software
  • comes with demo data, so you can predict sample spectra with demo calibrations.
  • has no functional limitations, no nagging, no ads and needs no license-key.
  • you need no account and no registration to download and use.
  • runs on Microsoft Windows 10/8/7 (Starter, Basic, Professional) (32 bit / 64 bit).
  • no data is ever transmitted from your local machine. We don’t even collect usage data.
See more Videos



Beside the free NIR-Predictor software with Windows user interface,
the real-time Predictor Engine is also available
  • for embedded integration in application, cloud and instrument-software (ICT).
  • As a light-weigt single library file (DLL)
    with application programming interface (API),
    documentation and software development kit (SDK)
    including sample source code (C#).
  • Easy integration and deployment,
    no software license protection (no serial key, no dongle).
  • Put your spectrum as an array into the multivariate predictor,
    no specific file format needed.
  • Fast prediction speed and low latency
    because of compiled code library (direct call, no cloud API).
  • Protected prediction results with outlier detection information.
See NIR Method Development Service for Labs and NIR-Vendors (OEM, White-Label)



Software Size Date Comment
NIR-Predictor V2.6.0.2 (download)

What’s new, see Release Notes

By downloading and/or using the software
you accept the Software License Agreement (EULA)
3.7 MB 18.08.2021 public release

Minimal System Requirements
Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account

Installation
There are no administrator rights required, unpack the zip file to a folder “NIR-Predictor” in your documents or on your desktop.
Read the ReadMe.txt and double click the NIR-Predictor.exe file.

Upgrade
If you have installed an older version of NIR-Predictor then unpack into a different folder named e.g. “NIR-PredictorVx.y”. All versions can run side-by-side. Copy the Calibrations in use to the new version into the “Calibration” folder. That’s all.

Uninstall
Make sure to backup your reports and calibrations inside your “NIR-Predictor” folder. Delete the “NIR-Predictor” folder.


Start Calibrate

See also: