Spectroscopy and Chemometrics/Machine Learning News Weekly #35, 2021

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With CM Service you can have customized optimized NIR calibrations developed without subscription. | NIRS NIR Spectroscopy ModelDevelopment MachineLearning Chemometrics LINK

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Spectroscopy and Chemometrics News Weekly 34, 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 34, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 34, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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Near-Infrared Spectroscopy (NIRS)

“Minerals : The Role of Solar Energy (UV-VIS-NIR) as an Assistant for Sulfide Minerals Leaching and Its Potential Application for Metal Extraction” LINK

“Development of Attenuated Total Reflectance Mid-Infrared (ATR-MIR) and Near-Infrared (NIR) Spectroscopy for the Determination of Resistant Starch Content …” | LINK

“Particle Swarm Optimization and Multiple Stacked Generalizations to Detect Nitrogen and Organic-Matter in Organic-Fertilizer Using Vis-NIR” | LINK

“Inversion Method for Cellulose Content of Rice Stem in Northeast Cold Region Based on Near Infrared Spectroscopy” LINK

“Sensors : Particle Swarm Optimization and Multiple Stacked Generalizations to Detect Nitrogen and Organic-Matter in Organic-Fertilizer Using Vis-NIR” LINK




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

“Smart Detection of Faults in Beers Using Near-Infrared Spectroscopy, a Low-Cost Electronic Nose and Artificial Intelligence” LINK

“Fault Isolation for Desalting Processes Using Near-Infrared Measurements” | LINK

“Temporal Changes in Near-Infrared Spectroscopy Signals in Recurrent In-Stent Restenosis Attributable to Calcified Nodule” LINK




Raman Spectroscopy

“Multivariate Analysis Aided Surface-Enhanced Raman Spectroscopy (MVA-SERS) Multiplex Quantitative Detection of Trace Fentanyl in Illicit Drug Mixtures Using a Handheld Raman Spectrometer” LINK




Hyperspectral Imaging (HSI)

“SWiVIA-Sliding Window Variographic Image Analysis for real-time assessment of heterogeneity indices in blending processes monitored with hyperspectral …” LINK

“Assessing produce freshness using hyperspectral imaging and machine learning” LINK

“Nondestructive prediction and visualization of total flavonoids content in Cerasus Humilis fruit during storage periods based on hyperspectral imaging technique” LINK

“Altered mineral mapping based on ground-airborne hyperspectral data and wavelet spectral angle mapper tri-training model: Case studies from Dehua-Youxi …” LINK




Chemometrics and Machine Learning

“Artificial bionic taste sensors coupled with chemometrics for rapid detection of beef adulteration” LINK

“Identification and Classification of Technical Lignins by means of Principle Component Analysis and kNearest Neighbor Algorithm” LINK

“A 50-year personal journey through time with principal component analysis. Ian Jolliffe. Journal of Multivariate Analysis.” LINK

“A feasibility quantitative analysis of free fatty acids in polished rice by fourier transform near‐infrared spectroscopy and chemometrics” LINK

“Forensics Applications of Raman Spectroscopy, ATR FT-IR, and Chemometrics” LINK

“Fast and non-destructive near infrared spectroscopic analysis associated with chemometrics: an efficient tool in assisting breeding programs” LINK

“Chemosensors : Environmental Odour Quantification by IOMS: Parametric vs. Non-Parametric Prediction Techniques” LINK

“ACD/Labs Partners with Science Data Experts to Aid Life Sciences Companies in Accelerating Their Implementation of Machine Learning and Artificial Intelligence Technologies” | MachineLearning ArtificialIntelligence Partnership LINK

“Remote Sensing : UCalib: Cameras Autocalibration on Coastal Video Monitoring Systems” LINK

“Medical urine analysis method based on Vis-NIR optical spectroscopy using machine learning algorithms.” LINK

“A feasibility quantitative analysis of free fatty acids in polished rice by fourier transform nearinfrared spectroscopy and chemometrics” LINK

“Diffuse reflectance spectroscopy based rapid coal rank estimation: A machine learning enabled framework” LINK

“Remote Sensing : Mapping Plastic Greenhouses with Two-Temporal Sentinel-2 Images and 1D-CNN Deep Learning” LINK




Research on Spectroscopy

“Polymers : Role of the Anilinium Ion on the Selective Polymerization of Anilinium 2-Acrylamide-2-methyl-1-propanesulfonate” LINK




Environment NIR-Spectroscopy Application

“A knowledge-based, validated classifier for the identification of aliphatic and aromatic plastics by WorldView-3 satellite data” LINK

“Sustainability : Assessment of Soil Pollution Levels in North Nile Delta, by Integrating Contamination Indices, GIS, and Multivariate Modeling” LINK

“Sensing and data fusion opportunities for raw material characterisation in mining: Technology and data-driven approach” LINK




Agriculture NIR-Spectroscopy Usage

“Evaluation of non-invasive bioforensic techniques for determining the age of hot-iron brand burn scars in cattle” LINK

“Nutrients : Diet and Leukocyte Telomere Length in a Population with Extended Longevity: The Costa Rican Longevity and Healthy Aging Study (CRELES)” LINK

“Spectral and lifetime resolution of fundus autofluorescence in advanced age‐related macular degeneration revealing different signal sources” LINK

“Linking insect herbivory with plant traits: phylogenetically structured trait syndromes matter” LINK

“An in vitro Propagation of Aspilia africana (Pers.) C. D. Adams, and Evaluation of Its Anatomy and Physiology of Acclimatized Plants” | LINK

“Urban Science : Effects of Urbanization on Ecosystem Services in the Shandong Peninsula Urban Agglomeration, in China: The Case of Weifang City” LINK

“Binding to Amyloid Protein by Photothermal BloodBrain BarrierPenetrating Nanoparticles for Inhibition and Disaggregation of Fibrillation” LINK




Food & Feed Industry NIR Usage

“Molecules : The Effect of Fat Content and Fatty Acids Composition on Color and Textural Properties of Butter” LINK

“Nondestructive identification of barley seeds variety using nearinfrared hyperspectral imaging coupled with convolutional neural network” LINK

“Effect of Weather Conditions on the Fatty Acid Composition of Medium-Growth Chicken Reared in Organic Production System” LINK




Beverage and Drink Industry NIR Usage

“Chemosensors : Multi-Sensor Characterization of Sparkling Wines Based on Data Fusion” LINK

“コーヒー生豆の品質基準に関する研究” “Coffee flavor is considerably influenced by the quality of green coffee beans. ” LINK




Other

AI computers can’t patent their own inventions …. LINK



“Rape Variety Identification Based on Canopy Spectral Parameters” LINK

“Critical Review of LASSO and Its Derivatives for Variable Selection Under Dependence Among Covariates.” LINK

“近红外光谱法快速测定养生酒的酒精度方法研究” LINK

“全球食品领域近红外光谱应用研究文献计量分析” LINK

“Photochemical Synthesis of Nonplanar Small Molecules with Ultrafast Nonradiative Decay for Highly Efficient Phototheranostics” LINK

“Fluorescent Silicon Carbide Nanoparticles” LINK





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Mango DM – dry matter prediction in mango fruit with near-infrared (NIR) spectroscopy

Calibration by CalibrationModel.com : Mango DM : SEP = 0.7247
CSet : calibration set, VSet : validation set, TSet : test set
Spectral Range : 285 to 1200 Nanometers [nm] (306 datapoints)


Download the calibration model file here
with some of the spectra as JCAMP-DX
to predict with free NIR-Predictor software.

Screenshot of a part of NIR-Predictor’s Prediction Report.


Open Access Data from the paper Reference:
  • Puneet Mishra, Dário Passos, “A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in mango fruit”, Chemometrics and Intelligent Laboratory Systems,Volume 212,2021,104287,ISSN 0169-7439,https://doi.org/10.1016/j.chemolab.2021.104287.

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the real-time Predictor Engine is also available
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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.


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