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





Spectroscopy and Chemometrics News Weekly #22, 2020

NIR Calibration-Model Services

New Free NIR-Predictor V2.6 software is released – Reads and predicts *.spc spectra file format (Thermo-Scientific / Galactic GRAMS) – Spectra Plots on the Prediction Reports NIRS NIR Spectroscopy Spectrometer QualityControl Lab Laboratory Analysis LINK
Spectra Plot


Spectroscopy and Chemometrics News Weekly 21, 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 21, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 21, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“NIR spectroscopy application for determination caffeine content of Arabica green bean coffee” LINK

“Review of NIR spectroscopy methods for nondestructive quality analysis of oilseeds and edible oils” LINK

“Omega-3 and Omega-6 Determination in Nile Tilapia’s Fillet Based on MicroNIR Spectroscopy and Multivariate Calibration” LINK

“Determination of metmyoglobin in cooked tan mutton using Vis/NIR hyperspectral imaging system” LINK

“Prediction of water content in Lintong green bean coffee using FT-NIRS and PLS method” LINK

Discrimination of legal and illegal Cannabis spp. according to European legislation using near infrared spectroscopy and chemometrics. LINK

“A system using in situ NIRS sensors for the detection of product failing to meet quality standards and the prediction of optimal postharvest shelf-life in the case of oranges kept in cold storage” LINK

“Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy” LINK

“Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species” LINK




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

“Rapid and Non-destructive Detecting Frying Times of Peanut Oil Based on Near Infrared Reflectance Spectroscopy” LINK

“Different Supervised and unsupervised classification approaches based on Visible/Near infrared spectral analysis for discrimination of microbial contaminated lettuce …” LINK

“Nondestructive determination of lignin content in Korla fragrant pear based on near-infrared spectroscopy” LINK

“Monitoring the Progress and Healing Status of Burn Wounds Using Infrared Spectroscopy” LINK

“Detection of melamine and sucrose as adulterants in milk powder using near-infrared spectroscopy with DD-SIMCA as one-class classifier and MCR-ALS … forensic evidence” LINK

“Differentiating Between Malignant Mesothelioma and Other Pleural Lesions Using Fourier Transform Infrared Spectroscopy” LINK

“Confirmation of brand identification in infant formulas by near-infrared spectroscopy fingerprints” LINK

“Near-infrared spectroscopy of the placenta for monitoring fetal oxygenation during labour.” LINK

“Impact of H2O on atmospheric CH4 measurement in near-infrared absorption spectroscopy.” LINK

“Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds” LINK

“Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum).” phenotyping LINK

“Multiple-depth Modeling of Soil Organic Carbon using Visible–Near Infrared Spectroscopy” LINK

“Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning” LINK

“Simultaneous determination of antioxidant properties and total phenolic content of Siraitia grosvenorii by near infrared spectroscopy” LINK

“Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy” LINK

“Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression” LINK

“Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy” LINK

“THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE’S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY” LINK

“Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)” LINK




Raman Spectroscopy

“Raman Technology for Today’s Spectroscopists” LINK

“Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition” LINK




Hyperspectral Imaging (HSI)

“Classification of Hyperspectral Endocrine Tissue Images Using Support Vector Machines.” LINK

“Using dual-channel CNN to classify hyperspectral image based on spatial-spectral information” LINK

“Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging.” LINK

“Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves” LINK

“Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging” LINK




Chemometrics and Machine Learning

“Rapid detection of saffron (Crocus sativus L.) Adulterated with lotus stamens and corn stigmas by near-infrared spectroscopy and chemometrics” LINK

“Simultaneous quantification of active constituents and antioxidant capability of green tea using NIR spectroscopy coupled with swarm intelligence algorithm” LINK

“Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands” LINK

“Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils” LINK

“Identification of Tea Diseases Based on Spectral Reflectance and Machine Learning” LINK

“Machine learning estimators for the quantity and quality of grass swards used for silage production using drone-based imaging spectrometry and …” LINK




Research on Spectroscopy

“Lanthanide complexes with N-(2, 6-dimethylphenyl) oxamate: Synthesis, characterisation and cytotoxicity” LINK

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK




Equipment for Spectroscopy

“Evaluation of Depth Measurement Method Based on Spectral Characteristics Using Hyperspectrometer” LINK

“Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts” LINK




Process Control and NIR Sensors

“Process analytical technology tools for process control of roller compaction in solid pharmaceuticals manufacturing.” LINK




Agriculture NIR-Spectroscopy Usage

“The effect of bubble formation within carbonated drinks on the brewage foamability, bubble dynamics and sensory perception by consumers” LINK

“Rapid Measurement of Soybean Seed Viability Using Kernel-Based Multispectral Image Analysis” LINK

“Remote Sensing, Vol. 12, Pages 1256: Crop Separability from Individual and Combined Airborne Imaging Spectroscopy and UAV Multispectral Data” LINK

“Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms” LINK

“Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China” LINK

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK




Horticulture NIR-Spectroscopy Applications

” Nondestructive determining the soluble solids content of citrus using near infrared transmittance technology combined with the variable selection algorithm” LINK




Food & Feed Industry NIR Usage

“Statistical Analysis of Protein Content in Wheat Germplasm Based on Near-infrared Reflectance Spectroscopy” LINK

“Prediction of infertile chicken eggs before hatching by the Naïve-Bayes method combined with visible near infrared transmission spectroscopy” LINK




Other

“Microsoft lays off journalists to replace them with AI” LINK





NIR-Predictor supported Spectral Data File Formats

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Mobile NIR and Desktop NIR

The NIR Calibration Service and free NIR prediction Software is available for the following NIR analysers.
Download the free NIR-Predictor Software, with sample spectrum files and demo calibration models included, to create reported analysis results.
And let us help you, to develop your individual customized optimal robust predictions models!

NIR-Predictor as a Third Party Application Software supports spectral data file Formats vs. Vendor : Software : NIR Instrument.

CSV, TXT = Simple Spectra File Format for NIR-Predictor

JCAMP-DX = Joint Committee on Atomic and Molecular Physical data-Data eXchange

JCAMP-DX  = Joint Committee on Atomic and Molecular Physical data-Data eXchange
|JSON     = JavaScript Object Notation   
||CSV,TXT = Comma Separated Value, Text File
|||Vendor = Vendor Specific
||||SPC   = Thermo-Scientific / Galactic GRAMS .SPC spectra file format
|||||
----------= Custom Data =-------------------------------------------------------------------------------------------------------
X-X-X   Custom Data : Simple Spectral File Format or JCAMP-DX or SPC
----------= Mobile NIR Spectroscopy Analyzer / Mobile Spektroskopie =-----------------------------------------------------------
X-X--   Allied Scientific  : NIRscan Nano Gui  : NIRVascan         
--X--   ams                :                   : Smart Spectral Sensor, Moonlight Multispectral, Spectral Triad
X---X   AVANTES            : AvaSoft           : AvaSpec, AvaSpec-Mini
X-X-X   HAMAMATSU          :                   : FTIR engine C15511
X-X--   InnoSpectra        : ISC NIRScan Winform GUI : NIR-S-G1 
X-X-X   Ocean Optics       : OceanView, JAZ, SpectraSuite : Flame-NIR, NanoQuest, NIRQuest, Maya2000, USB2000, USB4000, STS-NIR
--X--   PIXELTEQ           :                   : NIR PixelSensor Evaluation Kit
XXX--   SCiO               : SCiO              : SCiO
--X--   Senorics           : Senosoft          : NIR Evaluation Kit
X--X-   Si-Ware Systems    : SpectroMOST       : NeoSpectra Micro, NeoSpectra-Micro Development Kit
X-X--   Spectral Engines   :                   : NIRONE, NR 2.0-W
X--X-   Spectral Evolution : DARWin            : SR-8800, SR-6500, RS-5400, RS-3500, PSR-2500, UDS-1100, PSR-1100f, PSR+
X--X-   StellarNet         : ChemWiz           : DWARF-Star NIR
X-X--   Tellspec           : Tellspec          : Tellspec, see Texas Instruments DLP 
X-X--   Texas Instruments  : NIRscan Nano Gui  : DLP NIRscan Nano EVM, DLPNIRNANOEVM, DLP2010NIR, DLP4500NIR, DLP650LNIR
XX---   trinamiX           :                   : Hertzstück     
X-X-X   VIAVI (JDSU)       : MicroNIR Pro      : MicroNIR OnSite, MicroNIR 1700, MicroNIR 2200, MicroNIR OnSite-W, MicroNIR 1700ES, MicroNIR PAT-Ux, VIAVI MicroNIR PAT-Wx
----------= Desktop/Benchtop NIR Analyzer =------------------------------------------------------------------------------------
X----   BUCHI              : NIRWise, NIRCal   : ProxiMate, NIRFlex, NIRMaster, N500, N400
----X   BRUINS             : Omega-Pro analysis: FoodCheck, InfraScan, InfraCheck                        
X----   BRUKER             : OPUS              : Tango, MPA, Matrix     
X---X   BWTEK              : BWSpec, BWIQ      : i-Spec 25, i-Spec 17/17B/22
X----   FOSS               : FossCalibrator, WinISI : XDS, DS2500, DA1650, N5000, N6500, Infraxact
X---X   GALAXY SCIENTIFIC  : Spectral Sage     : QuasIR 2000, QuasIR 3000, QuasIR 4000
X-X--   METROHM            : Vision Air        : NIRS XDS, NIRS DS2500
X---X   PERTEN             : Simplicity        : DA 7200, DA 7250, DA 7300, DA 7400, DA 7520, Inframatic 9520 
X---X   Polytec            :                   : PSS 1720, PSS 1750, PSS 2120, PSS 2220
X---X   Q-Interline        : Horizon QI        : ABB Bomem FT technology
X---X   tec5               : MultiSpec         : MultiSpec Pro, AgroSpec, 
X---X   Thermo Scientific  : GRAMS PLSplus/IQ, OMNIC : Antaris II, Nicolet iS5N, microPHAZIR RX 
X---X   UNITY Scientific   : UCal              : SpectraStar 2500 2400 2200
X---X   ZEISS              : Aspect Plus       : Corona Extreme, CORONA, AURA, MMS, CGS, MCS FLEX, PGS-NIR
--------------------------------------------------------------------------------------------------------------------------------
X---X   more
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