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

NIR Calibration-Model Services

Increase Your Profit with optimized NIRS Spectroscopy Accuracy Beverage Processing Dairy milk meat nutrition LINK

Knowledge-Based Variable Selection and Model Selection for near-infrared spectroscopy NIRS | PLSR PCA PCR PLS SVR ANN LINK

Rapid NIR method Development for the quantitative analysis of | predictive sensors Industry40 Industry4.0 LINK

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 News Weekly #19, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 18, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

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Near-Infrared Spectroscopy (NIRS)

“Integrated (1)H NMR fingerprint with NIR spectroscopy, sensory properties, and quality parameters in a multi-block data analysis using ComDim to evaluate coffee blends” LINK

“Efficient Nearinfrared Pyroxene Phosphor LiInGe2O6:Cr3+ for NIR Spectroscopy Application” LINK

“Transfer learning and wavelength selection method in NIR spectroscopy to predict glucose and lactate concentrations in culture media using VIPBoruta” LINK

“Theranostic Near-Infrared-Active Conjugated Polymer Nanoparticles” LINK

“Integrated NIRS and QTL assays reveal minor mannose and galactose as contrast lignocellulose factors for biomass enzymatic saccharification in rice” LINK

“Age estimation of barramundi (Lates calcarifer) over multiple seasons from the southern Gulf of Carpentaria using FT-NIR spectroscopy” | LINK

“Evaluation of Minimum Preparation Sampling Strategies for Sugarcane Quality Prediction by vis-NIR Spectroscopy” LINK

“Differentiation between Fresh and Thawed Cephalopods Using NIR Spectroscopy and Multivariate Data Analysis” LINK

“Foods, Vol. 10, Pages 885: Histamine Control in Raw and Processed Tuna: A Rapid Tool Based on NIR Spectroscopy” LINK

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

“RenalClearable NickelDoped Carbon Dots with Boosted Photothermal Conversion Efficiency for Multimodal ImagingGuided Cancer Therapy in the Second NearInfrared Biowindow” LINK

“Simultaneous Broadening and Enhancement of Cr3+ Photoluminescence in LiIn2SbO6 by Chemical Unit Cosubstitution: NightVision and NearInfrared Spectroscopy Detection Applications” LINK

“Applied Sciences, Vol. 11, Pages 3701: Measurement of Temperature and H2O Concentration in Premixed CH4/Air Flame Using Two Partially Overlapped H2O Absorption Signals in the Near Infrared Region” LINK

“Fourier-Transform Infrared Spectroscopy as a Discriminatory Tool for Myotonic Dystrophy Type 1 Metabolism: A Pilot Study” IJERPH LINK

“Application of machine learning to estimate fireball characteristics and their uncertainty from infrared spectral data” LINK

“Cross Target Attributes and Sample Types Quantitative Analysis Modeling of Near-infrared Spectroscopy Based on Instance Transfer Learning” LINK

“Fast at-line characterization of solid organic waste: Comparing analytical performance of different compact near infrared spectroscopic systems with different …” LINK

“On-line identification of silkworm pupae gender by short-wavelength near infrared spectroscopy and pattern recognition technology” LINK

“The Use of Multispectral Imaging and Single Seed and Bulk Near-Infrared Spectroscopy to Characterize Seed Covering Structures: Methods and Applications in Seed …” LINK

” The use of infrared reflectance spectroscopy to predict the dry matter intake of lactating grazing dairy cows” LINK

“Development of a Novel Green Tea Quality Roadmap and the Complex Sensory-associated Characteristics exploration using Rapid Near-Infrared Spectroscopy …” LINK

“… of the Neutral and Acid Detergent Fiber Fractions of Chickpea (Cicer arietinum L.) by Combining Modified PLS and Visible with Near-Infrared Spectroscopy” LINK

“Non-destructive estimation of fibre morphological parameters and chemical constituents of Tectona grandis Lf wood by near infrared spectroscopy” LINK


“A simple multiple linear regression model in near infrared spectroscopy for soluble solids content of pomegranate arils based on stability competitive adaptive re …” LINK

“Intelligent assessment of the histamine level in mackerel (Scomber australasicus) using near-infrared spectroscopy coupled with a hybrid variable selection strategy” LINK

“Portable Near Infrared Spectroscopy as a Tool for Fresh Tomato Quality Control Analysis in the Field” LINK

” Focused echocardiography, end-tidal carbon dioxide, arterial blood pressure or near-infrared spectroscopy monitoring during paediatric cardiopulmonary …” LINK

“EXPRESS: Fourier Transform Infrared (FT-IR) Imaging Analysis of Interactions Between Polypropylene Grafted with Maleic Anhydride (MAPP) and Silica Spheres (SS) …” LINK

Hyperspectral Imaging (HSI)

“Hazelnuts classification by hyperspectral imaging coupled with variable selection methods” LINK

“Towards the development of a sterile model cheese for assessing the potential of hyperspectral imaging as a non-destructive fungal detection method” LINK

“Geographical origin discriminant analysis of Chia seeds (Salvia hispanica L.) using hyperspectral imaging” LINK

Chemometrics and Machine Learning

“Bayesian subset selection and variable importance for interpretable prediction and classification. (arXiv:2104.10150v1 [stat.ML])” LINK

“MachineLearning and Feature Selection Methods for EGFR Mutation Status Prediction in Lung Cancer” LINK

“Remote Sensing, Vol. 13, Pages 1598: Development of Novel Classification Algorithms for Detection of Floating Plastic Debris in Coastal Waterbodies Using Multispectral Sentinel-2 Remote Sensing Imagery” LINK

“Sensors, Vol. 21, Pages 2871: A Novel Runtime Algorithm for the Real-Time Analysis and Detection of Unexpected Changes in a Real-Size SHM Network with a Quasi-Distributed FBG Sensors” LINK

“NIR spectroscopy coupled with chemometric algorithms for the prediction of cadmium content in rice samples” LINK

” Determination of petroleum hydrocarbon contamination in soil using VNIR DRS and PLSR modeling” LINK

” Establishment and applicant of near-infrared reflectance spectroscopy models for predicting protein, linolenic acid and lignan contents of flaxseed” LINK

“Detection of chlorpyrifos and carbendazim residues in the cabbage using visible/near-infrared spectroscopy combined with chemometrics” LINK

“A Model Based on Clusters of Similar Color and NIR to Estimate Oil Content of Single Olives” LINK

“The Organochlorine Pesticide Residues of Mesona Chinensis Benth by Near Infrared (NIR) Spectroscopy and Chemometrics” LINK

“Strategies for the Development of Spectral Models for Soil Organic Matter Estimation” Remote Sensing LINK



“IJMS, Vol. 22, Pages 4347: Mitochondrial Bioenergetic, Photobiomodulation and Trigeminal Branches Nerve Damage, Whats the Connection? A Review” LINK

Research on Spectroscopy

“ndothelial and microvascular function in CKD: Evaluation methods and associations with outcomes” LINK

Equipment for Spectroscopy

“On-line monitoring of egg freshness using a portable NIR spectrometer in tandem with machine learning” LINK

Environment NIR-Spectroscopy Application

” Current sensor technologies for in situ and on-line measurement of soil nitrogen for variable rate fertilization-A review.” LINK

” Mid-Infrared Spectroscopy Supports Identification of the Origin of Organic Matter in Soils. Land 2021, 10, 215″ LINK

Agriculture NIR-Spectroscopy Usage

“Crystals, Vol. 11, Pages 458: Boron Influence on Defect Structure and Properties of Lithium Niobate Crystals” | LINK

“Remote Sensing, Vol. 13, Pages 1620: Estimating Plant Nitrogen Concentration of Rice through Fusing Vegetation Indices and Color Moments Derived from UAV-RGB Images” LINK

“Consensus rule for wheat cultivar classification on VL, VNIR and SWIR imaging” LINK

” Changes in the Milk Market in the United States on the Background of the European Union and the World” LINK

“High-Resolution Airborne Hyperspectral Imagery for Assessing Yield, Biomass, Grain N Concentration, and N Output in Spring Wheat” RemoteSensing LINK

” Near infrared hyperspectral imaging of the hemodynamic and metabolic states of the exposed cortex: in vivo investigation on small animal models” LINK

“Engineered Protein PhotoThermal Hydrogels for Outstanding In Situ Tongue Cancer Therapy” LINK

Food & Feed Industry NIR Usage

“The quality and shelf life of biscuits with cryoground proso millet and buckwheat byproducts” LINK

“Performance of different portable and hand-held near-infrared spectrometers for predicting beef composition and quality characteristics in the abattoir without meat sampling” LINK

“New Approaches to Detect Compositional Shifts in Fish Oils” LINK

Medicinal Spectroscopy

“Aplicação de espectroscopia no infravermelho próximo e análise multivariada para identificação e quantificação de hidrocarbonetos totais do petróleo em solo” | LINK


“Vibrational Analysis of Benziodoxoles and Benziodazolotetrazoles” LINK

“Recent advances in Unmanned Aerial Vehicles forest remote sensing—A systematic review. Part II: Research applications” LINK

“Physical and thermal properties of gold nanoparticles embedded Nd3+-doped borophosphate glasses: Spectroscopic parameters” LINK

“Spectral Assessment of Organic Matter with Different Composition Using Reflectance Spectroscopy” Remote Sensing LINK