Spectroscopy and Chemometrics/Machine-Learning News Weekly #13, 2022

NIR Calibration-Model Services

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Spectroscopy and Chemometrics News Weekly 12, 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 12, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 12, 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)

” In ovo sexing of eggs from brown breeds with a gender-specific color using visible-near-infrared spectroscopy: effect of incubation day and measurement …” LINK

“Toward real time release testing of Shuxuening injection based on near infrared spectroscopy and accuracy profile” LINK

“Do-it-yourself VIS/NIR pushbroom hyperspectral imager with C-mount optics” LINK

“Near-Infrared Spectroscopy for Prediction of Potentially Toxic Elements in Soil and Sediments from a Semiarid and Coastal Humid Tropical Transitional River Basin” LINK

“Establishment of Near Infrared Spectroscopy Model for Predicting Sucrose Content of Peanut Seed and Application in Mutants Selection” LINK

“Near infrared spectroscopic evaluation of biochemical and crimp properties of knee joint ligaments and patellar tendon” LINK

“Abnormal Oxidative Metabolism in the Cuprizone Mouse Model of Demyelination: an in vivo NIRS-MRI Study” LINK

“Fourier-transform near-infrared spectroscopy as a fast screening tool for the verification of the geographical origin of grain maize (Zea mays L.)” LINK

“Optimization and compensation of models on tomato soluble solids content assessment with online Vis/NIRS diffuse transmission system” LINK

“Low-cost, handheld near-infrared spectroscopy for root dry matter content prediction in cassava” | breeding plantbreeding phenotyping handheld NIR spectrometers drymatter LINK

“Application of near-infrared spectroscopy to agriculture and forestry” QualityMonitoring lowcostDevices agricultural organic compounds NIRSpectroscopy LINK

“… coupled with a classifier to increase transparency in the seafood value chain: Bioelectrical impedance analysis (BIA), near-infrared spectroscopy (NIR) and time …” LINK

“Identification of informative spectral ranges for predicting major chemical constituents in corn using NIR spectroscopy” LINK

“A novel methodology for determining effectiveness of preprocessing methods in reducing undesired spectral variability in near infrared spectra” LINK

“Rapid and comprehensive quality assessment of Bupleuri Radix through near-infrared spectroscopy combined with chemometrics” LINK

“Multi-Modal Integration of EEG-fNIRS for Characterization of Brain Activity Evoked by Preferred Music” LINK

“Use of Artificial Neural Networks and NIR Spectroscopy for Non-Destructive Grape Texture Prediction” LINK

“A primer on soil analysis using visible and near-infrared (vis-NIR) and mid-infrared (MIR) spectroscopy” LINK

“Near-Infrared Spectroscopy (NIRS) as a Method for Biological Sex Discrimination in the Endangered Houston Toad (Anaxyrus houstonensis)” LINK

“Broadband Near-Field Near-Infrared Spectroscopy and Imaging with a Laser-Driven Light Source” LINK

“Determination of aflatoxin B1 level in rice (Oryza sativa L.) through near-infrared spectroscopy and an improved simulated annealing variable selection method” LINK

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

“Development and Application of Web-based Near Infrared Crude Oil Fast-Evaluation Technology” LINK

“Near-infrared analysis of nanofibrillated cellulose aerogel manufacturing” LINK

Hyperspectral Imaging (HSI)

“Spectral simulation and method design of camouflage textiles for concealment of hyperspectral imaging in UV-Vis-IR against multidimensional combat background” | LINK

Chemometrics and Machine Learning

“Foods : Simultaneous Monitoring of the Evolution of Chemical Parameters in the Fermentation Process of Pineapple Fruit Wine Using the Liquid Probe for Near-Infrared Coupled with Chemometrics” LINK

“Chemosensors : Comparison of Various Signal Processing Techniques and Spectral Regions for the Direct Determination of Syrup Adulterants in Honey Using Fourier Transform Infrared Spectroscopy and Chemometrics” LINK

“Prediction of soil organic matter content based on characteristic band selection method” LINK

“Variable Selection Based on Gray Wolf Optimization Algorithm for the Prediction of Saponin Contents in Xuesaitong Dropping Pills Using NIR Spectroscopy” | LINK

“Simultaneous Monitoring of the Evolution of Chemical Parameters in the Fermentation Process of Pineapple Fruit Wine Using the Liquid Probe for Near-Infrared Coupled with Chemometrics” | LINK

“Biosensors : Non-Destructive Genotyping of Cultivars and Strains of Sesame through NIR Spectroscopy and Chemometrics” LINK

“Improved understanding and prediction of pear fruit firmness with variation partitioning and sequential multi-block modelling” LINK


“Agricultural Potentials of Molecular Spectroscopy and Advances for Food Authentication: An Overview. Processes 2022, 10, 214” LINK

Optics for Spectroscopy

“Detection of Organosulfur and Organophosphorus Compounds Using a Hexafluorobutyl Acrylate-Coated Tapered Optical Fibers” | LINK

Research on Spectroscopy

“Polymethine dyes-loaded solid lipid nanoparticles (SLN) as promising photosensitizers for biomedical applications” LINK

“Dataanalysis method for material optimization by forecasting longterm chemical stability” LINK

Process Control and NIR Sensors

“At-line and inline prediction of droplet size in mayonnaise with nearinfrared spectroscopy” | | ProcessMonitoring SpectralSensing PAT process analytical technologies LINK

Environment NIR-Spectroscopy Application

“Machine Learning Framework for Intelligent Detection of Wastewater Pollution by IoT-Based Spectral Technology” | LINK

“Person-specific connectivity mapping uncovers differences of bilingual language experience on brain bases of attention in children” LINK

“Remote Sensing : Fine-Scale Mapping of Natural Ecological Communities Using Machine Learning Approaches” LINK

Agriculture NIR-Spectroscopy Usage

“Multimodal Imaging, OCT B-Scan Localization, and En Face OCT Detection of Macular Hyperpigmentation in Eyes with Intermediate AMD” LINK

“Transforming Passive into Active: Multimodal PheophytinBased Carbon Dots Customize Protein Corona to Target Metastatic Breast Cancer” LINK

” A review of hyperspectral remote sensing of crops” LINK

“Plants : Phytochemical Composition and Antioxidant Activity of Passiflora spp. Germplasm Grown in Ecuador” LINK

“The Relative Performance of a Benchtop Scanning Monochromator and Handheld Fourier Transform Near-Infrared Reflectance Spectrometer in Predicting Forage Nutritive Value” LINK

“Aquaphotomics Research of Cold Stress in Soybean Cultivars with Different Stress Tolerance Ability: Early Detection of Cold Stress Response” LINK

Horticulture NIR-Spectroscopy Applications


Food & Feed Industry NIR Usage

“Predicting Single Kernel Moisture and Protein Content of Mushroom Popcorn Using NIR Spectroscopy: Tool for Determining Their Effect on Popping Performance” LINK

“Portable NIR spectroscopy and PLS based variable selection for adulteration detection in quinoa flour” | | NutritionalValue AnalyticalTool LINK

“Foods : Uses of FT-MIR Spectroscopy and Multivariate Analysis in Quality Control of Coffee, Cocoa, and Commercially Important Spices” LINK

Pharma Industry NIR Usage

“Revealing the Effect of Heat Treatment on the Spectral Pattern of Unifloral Honeys Using Aquaphotomics” LINK

Medicinal Spectroscopy

“Engineered ProteinAu Bioplaster for Efficient Skin Tumor Therapy” LINK


“Investigation of Spectroscopic and Lasing Characteristics of Er3+-Doped Alkaline Titanium Borate Glasses” LINK

“Development of a high-accuracy autonomous sensing system for a field scouting robot” LINK

“Synthesis and Electrochemical Behavior of Ferrocenyl β‐Ketoamines FcC (O) CH= C (NH (C6H4‐4‐R ‘) R” LINK

“Taming salophen in rare earth metallocene chemistry” LINK

“KineticsRegulated Interfacial Selective Superassembly of Asymmetric Smart Nanovehicles with Tailored Topological Hollow Architectures” LINK

“Using the extract of pomegranate peel as a natural indicator for colorimetric detection and simultaneous determination of Fe3+ and Fe2+ by partial least squaresartificial neural network” LINK

“Sensors : Simultaneous Sensitive Determination of δ13C, δ18O, and δ17O in Human Breath CO2 Based on ICL Direct Absorption Spectroscopy” LINK

“Splanchnic oxygen saturation during reoxygenation with 21% or 100% O” LINK

“Measuring Nd(III) Solution Concentration in the Presence of Interfering Er(III) and Cu(II) Ions: A Partial Least Squares Analysis of Ultraviolet-Visible Spectra ” LINK

“Toxics : Determination of Prenatal Substance Exposure Using Meconium and Orbitrap Mass Spectrometry” LINK

“Metal-Based Linear Light Upconversion Implemented in Molecular Complexes: Challenges and Perspectives” LINK

“Highly effective gene delivery based on cyclodextrin multivalent assembly in target cancer cells” LINK

“Sensors : Free-Space Transmission and Detection of Variously Polarized Near-IR Beams Using Standard Communication Systems with Embedded Singular Phase Structures” LINK

“Measuring Nd(III) Solution Concentration in the Presence of Interfering Er(III) and Cu(II) Ions: A Partial Least Squares Analysis of Ultraviolet-Visible Spectra” LINK

Spectroscopy and Chemometrics/Machine-Learning News Weekly #44, 2021

NIR Calibration-Model Services

NIR Machine Learning as a Service, a Game Changer for Productivity and Accuracy/Precision! ( NIRS Spectroscopy AI MLaaS ) LINK

Spectroscopy and Chemometrics News Weekly 43, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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Near-Infrared Spectroscopy (NIRS)

“Monitoring pilot-scale polyhydroxyalkanoate production from fruit pulp waste using near-infrared spectroscopy” LINK

“Toward automated non-destructive diagnosis of chloride attack on concrete structures by near infrared spectroscopy” LINK

“Spectra-structure correlations in NIR region of polymers from quantum chemical calculations. The cases of aromatic ring, C= O, CN and C-Cl functionalities” | LINK

“Prediction of Caffeine in Tablets Containing Acetylsalicylic Acid, Dipyrone, and Paracetamol by Near-Infrared Spectroscopy, Raman Scattering, and Partial Least Squares Regression” LINK

“Anharmonic DFT Study of Near-Infrared Spectra of Caffeine: Vibrational Analysis of the Second Overtones and Ternary Combinations” LINK

“Rapid identification of the variety and geographical origin of Wuyou No. 4 rice by Fourier transform near-infrared spectroscopy coupled with chemometrics” LINK

“Empirical Modelling of Household Oils in UV-Vis-NIR Spectrum through Developed Low-Cost Spectroscopy Setup (LCSS)” LINK

“AllinOne ZeoliteCarbonBased Nanotheranostics with Adjustable NIRII Window Photoacoustic/Fluorescence Imaging Performance for Precise NIRII PhotothermalSynergized Catalytic Antitumor Therapy” LINK

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

“Prediction of the Carbon Content of Six Tree Species from Visible-Near-Infrared Spectroscopy” LINK

“Applied Sciences : FTIR Spectroscopy for Identification and Intra-Species Characterization of Serpula lacrymans” LINK

“Review of standards of near infrared spectroscopy methods” LINK

Hyperspectral Imaging (HSI)

“Foods : Detection of Invisible Damages in Rojo Brillante Persimmon Fruit at Different Stages Using Hyperspectral Imaging and Chemometrics” LINK

“Location Soft-Aggregation-Based Band Weighting for Hyperspectral Image Classification” LINK

“Hyperspectral images classification based on double-branch networks with attention feature fusion” LINK

“Remote Sensing : Hyperspectral Imaging Combined with Machine Learning for the Detection of Fusiform Rust Disease Incidence in Loblolly Pine Seedlings” LINK

“Foods : Chemometrics in Tandem with Hyperspectral Imaging for Detecting Authentication of Raw and Cooked Mutton Rolls” LINK

Chemometrics and Machine Learning

“Identification and Quantitative Analysis of Salt-Adulterated Honeysuckle using Infrared Spectroscopy coupled with Multi-Chemometrics” LINK

“DataRobot Acquires | for More Actionable AI” AI ArtificialIntelligence MachineLearning LINK

Research on Spectroscopy

“Animals : Fatty Acids as Biomarkers of the Production Season of Caciocavallo Palermitano Cheese” LINK

“Spectroscopic Method for Studying the Morphology of Suspensions” LINK

“Data Preprocessing Method for the Analysis of Spectral Components in the Spectra of Mixtures” LINK

“Influence on denitrifying community performance by the long-term exposure to sulfamethoxazole and chlortetracycline in the continuous-flow EGSB reactors” LINK

Agriculture NIR-Spectroscopy Usage

“Nutrients : Identifying Nutrient Patterns in South African Foods to Support National Nutrition Guidelines and Policies” LINK

“Diagnosis of cadmium contamination in urban and suburban soils using visible-to-near-infrared spectroscopy” LINK

“Remote Sensing : Early Detection of Powdery Mildew Disease and Accurate Quantification of Its Severity Using Hyperspectral Images in Wheat” LINK

“Accurately Calibrated Frequency Domain Diffuse Optical Spectroscopy Compared Against Chemical Analysis of Porcine Adipose Tissue” LINK

Horticulture NIR-Spectroscopy Applications

“Assessing avocado firmness at different dehydration levels in a multi-sensor framework” LINK

Food & Feed Industry NIR Usage

“Development Of Sustainable Drying Strategies For Beef Drying” LINK

“Impact Of A Mycorrhizal Inoculum On Tomato And Pepper Organic Production: A Transdisciplinary Approach In Northern Italian Context” LINK


“Mineral reflectance spectra and chemistry of 32 Li-bearing surface samples from Bajoca mine, Almendra, Portugal” LINK

“Influence of Protic Ionic Liquids on Hydration of Glycine Based Peptides” LINK

“Optical Properties: UV/Vis Diffuse Reflectance Spectroscopy and Photoluminescence” LINK

“Isothiocyanate L-argininato copper(II) complexes – Solution structure, DNA interaction, anticancer and antimicrobial activity” LINK

“Spectrophotometric simultaneous determination of orotic acid, creatinine and uric acid by orthogonal signal correctionpartial least squares in spiked real samples” LINK