Spectroscopy and Chemometrics/Machine-Learning News Weekly #17, 2022

NIR Calibration-Model Services

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Spectroscopy and Chemometrics News Weekly 16, 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 16, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 16, 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)

“Penilaian Sejawat: Fast, simultaneous and contactless assessment of intact mango fruit by means of near infrared spectroscopy. AIMS Press.” | Agriculture (Gabungan Nilai).PDF LINK

“Relevance of Near infrared (NIR) spectroscopy in the determination of intrinsic Rheological properties of crude oil components from Asabor Platform, Nigeria.” LINK

“Feasibility of Near-Infrared Spectroscopy for Rapid Detection of Available Nitrogen in Vermiculite Substrates in Desert Facility Agriculture” LINK

“Establishment of a Nondestructive Analysis Method for Lignan Content in Sesame using Near Infrared Reflectance Spectroscopy” LINK

“Near Infrared Spectroscopy: A useful technique for inline monitoring of the enzyme catalyzed biosynthesis of third-generation biodiesel from waste cooking oil” LINK

“A Study on Nitrogen Concentration Detection Model of Rubber Leaf Based on Spatial-Spectral Information with NIR Hyperspectral Data” LINK

“Design and Performance of a Near-Infrared Spectroscopy Measurement System for In-Field Alfalfa Moisture Measurement” LINK

“Estimating Forest Soil Properties for Humus Assessment—Is Vis-NIR the Way to Go?” LINK

“Association and solubility of chlorophenols in CCl4: MIR/NIR spectroscopic and DFT study” LINK

“Prediction of rhodinol content in Java citronella oil using NIR spectroscopy in the initial stage developing a spectral smart sensor system” | LINK

“Classification of Cocoa Beans Based on Fermentation Level Using PLS-DA Combined with Visible Near-Infrared (VIS-NIR) Spectroscopy” LINK

“Carbon Footprint Reduction by Utilizing Real Time NIR Spectroscopy for RVP Measurement in Natural Gas Condensate Stabilizers” LINK

“Determination of Total Saccharide Content in Auricularia auricula Based on Near-Infrared Spectroscopy” | LINK

“Prediction of crosslink density of prevulcanised latex using NIR Spectroscopy based on combination of fractional order derivative (FOD) and variable selection …” LINK

“Determination of Acid Level (pH) and Moisture Content of Cocoa Beans at Various Fermentation Level Using Visible Near-Infrared (Vis-NIR) Spectroscopy” LINK

“Near infrared spectroscopy and machine learning classifier of crosslink density level of prevulcanized natural rubber latex” LINK

“Development of a calibration model for near infrared spectroscopy using a convolutional neural network” LINK

“Novel fNIRS study on homogeneous symmetric feature-based transfer learning for brain-computer interface” | LINK

“Hybrid motion artifact detection and correction approach for functional near-infrared spectroscopy measurements” | LINK

“Predicting Soil Organic Carbon Mineralization Rates Using δ13C, Assessed by Near-Infrared Spectroscopy, in Depth Profiles Under Permanent Grassland Along a …” | LINK

“Sensors : A Multiblock Approach to Fuse Process and Near-Infrared Sensors for On-Line Prediction of Polymer Properties” LINK

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

“Determination of Storage Period of Harvested Plums by NearInfrared Spectroscopy and Quality attributes” LINK

“Performance improvement in a supercontinuum fiber-coupled system for near infrared absorption spectroscopy” LINK

Hyperspectral Imaging (HSI)

“New Zealand Honey Botanical Origin Classification with Hyperspectral Imaging” LINK

“Scanning Hyperspectral Imaging for In Situ Biogeochemical Analysis of Lake Sediment Cores: Review of Recent Developments” LINK

Chemometrics and Machine Learning

“Non-destructive near infrared spectroscopy externally validated using large number sets for creation of robust calibration models enabling prediction of apple firmness” LINK

“Foods : Predicting Satiety from the Analysis of Human Saliva Using Mid-Infrared Spectroscopy Combined with Chemometrics” LINK

“A NIR,1H-NMR, LC-MS and chemometrics pilot study on the origin of Carvedilol drug substance: a tool for discovering falsified active pharmaceutical ingredients” LINK

“Algorithm of Stability-Analysis-Based Feature Selection for NIR Calibration Transfer” LINK

“Improving TVB-N prediction in pork using portable spectroscopy with just-in-time learning model updating method” LINK

“Method Development and Validation of a Near-infrared spectroscopic method for In-line API Quantification during Fluidized Bed Granulation” LINK

“Non-destructive follow-up of ‘Jintao’kiwifruit ripening through VIS-NIR spectroscopy-individual vs. average calibration model’s predictions” LINK

“Machine Learning-Powered Models for Near-Infrared Spectrometers: Prediction of Protein in Multiple Grain Cereals” LINK

“A hybrid variable selection and modeling strategy for the determination of target compounds in different spectral datasets” LINK

“Sensors : A Data-Driven Model with Feedback Calibration Embedded Blood Pressure Estimator Using Reflective Photoplethysmography” LINK

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

Research on Spectroscopy

“Quadruple Functionalization of a Tetraphenylethylene Aromatic Scaffold with Ynamides or Tetracyanobutadienes: Synthesis and Optical Properties” LINK

Environment NIR-Spectroscopy Application

“Marriage of Heterobuckybowls with Triptycene: Molecular Waterwheels for Separating C60 and C70” LINK

“Performance of hyperspectral data in predicting and mapping zinc concentration in soil” LINK

Agriculture NIR-Spectroscopy Usage

“Study of neurophysiological responses associated with the application of magnetic fields to the brain” LINK


“Linking long-term soil phosphorus management to microbial communities involved in nitrogen reactions” | LINK

“Bovine fecal chemistry changes with progression of Southern Cattle Tick, Rhipicephalus (Boophilus) microplus (Acari: Ixodidae) infestation” LINK

“Remote Sensing : The Accuracy of Winter Wheat Identification at Different Growth Stages Using Remote Sensing” LINK

Horticulture NIR-Spectroscopy Applications

“Accurate nondestructive prediction of soluble solids content in citrus by nearinfrared diffuse reflectance spectroscopy with characteristic variable selection” LINK

Food & Feed Industry NIR Usage

“Verifying the Geographical Origin and Authenticity of Greek Olive Oils by Means of Optical Spectroscopy and Multivariate Analysis” LINK

“Analysis of wheat flour-insect powder mixtures based on their near infrared spectra” LINK

Laboratory and NIR-Spectroscopy

“Utilization of Pollution Indices, Hyperspectral Reflectance Indices, and Data-Driven Multivariate Modelling to Assess the Bottom Sediment Quality of Lake Qaroun …” LINK

“Oxygen vacancies and defects tailored microstructural, optical and electrochemical properties of Gd doped CeO2 nanocrystalline thin films” LINK


“Simultaneous removal of aromatic pollutants and nitrate at high concentrations by hypersaline denitrification: Long-term continuous experiments investigation” LINK

“Study of sub-band state formation in the optical band gap of CuGaS2 thin films by electronic excitations” LINK

“A sensor combination based automatic sorting system for waste washing machine parts” LINK

Spectroscopy and Chemometrics/Machine-Learning News Weekly #14, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 13, 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 13, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 13, 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)

“NIR Spectroscopy and Aquaphotomics Approach to Identify Soil Characteristics as a Function of the Sampling Depth” LINK

“Improving the multi-class classification of Alzheimer’s disease with machine learning-based techniques: An EEG-fNIRS hybridization study” LINK

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


“Near infrared‐based process analytical technology module for estimating gelatinization optimal point” LINK

“Near Infrared Technology in Agricultural Sustainability: Rapid Prediction of Nitrogen Content from Organic Fertilizer” LINK

“Gasoline octane number prediction from near-infrared spectroscopy with an ANN-based model” LINK

“Rapid On-site Identification of Geographical Origin and Storage Age of Tangerine Peel by Near-infrared Spectroscopy” LINK

“Empirical mode decomposition of near-infrared spectroscopy signals for predicting oil content in palm fruits” LINK

“Miniaturization in NIR Spectroscopy Reshapes Chemical Analysis” LINK

“Unscrambling spectral interference and matrix effects in Vitis vinifera Vis-NIR spectroscopy: Towards analytical grade ‘in vivo’sugars and acids quantification” LINK

“Research Progress of Bionic Materials Simulating Vegetation Visible-Near Infrared Reflectance Spectra” LINK

“Latent Variable Machine Learning Methods Applied for NIR Quantitative Analysis of Coffee” LINK

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

“Vis-NIR Spectroscopy and Machine Learning Methods for the Discrimination of Transgenic Brassica napus L. and Their Hybrids with B. juncea” LINK

“Applied Sciences : Hidden Information in Uniform Design for Visual and Near-Infrared Spectrum and for Inkjet Printing of Clothing on Canvas to Enhance Urban Security” LINK

“LIONirs: flexible Matlab toolbox for fNIRS data analysis” LINK

Raman Spectroscopy

“Raman Spectroscopic Detection and Quantification of Macro- and Microhematuria in Human Urine” LINK

Hyperspectral Imaging (HSI)

“Prediction of total carotenoids, color and moisture content of carrot slices during hot air drying using noninvasive hyperspectral imaging technique” LINK

“Growth simulation of Pseudomonas fluorescens in pork using hyperspectral imaging” LINK

“Estimation of Leaf Water Content of Different Leaves from Different Species Using Hyperspectral Reflectance Data” LINK

Chemometrics and Machine Learning

“Automation : Predictive Performance of Mobile Vis-NIR Spectroscopy for Mapping Key Fertility Attributes in Tropical Soils through Local Models Using PLS and ANN” LINK

“Prediction of South American Leaf Blight and Disease-Induced Photosynthetic Changes in Rubber Tree, Using Machine Learning Techniques on Leaf Hyperspectral …” LINK

“Proximal spectroscopy sensing for sugarcane quality prediction and spatial variability mapping” LINK

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

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

“Sensors : Algorithm of Stability-Analysis-Based Feature Selection for NIR Calibration Transfer” LINK

“Modelling soil water retention and water‐holding capacity with visible-near infrared spectra and machine learning” LINK

“Machine learning for atherosclerotic tissue component classification in combined near-infrared spectroscopy intravascular ultrasound imaging: Validation against …” LINK

“Modelling soil water retention and waterholding capacity with visiblenear infrared spectra and machine learning” LINK

“Cancers : Novel Non-Invasive Quantification and Imaging of Eumelanin and DHICA Subunit in Skin Lesions by Raman Spectroscopy and MCR Algorithm: Improving Dysplastic Nevi Diagnosis” LINK


“Evaluation of portable vibrational spectroscopy for identifying plasticizers in dairy tubing” LINK

Optics for Spectroscopy

“Chemosensors : Carbocyanine-Based Fluorescent and Colorimetric Sensor Array for the Discrimination of Medicinal Compounds” LINK

“Platinum(II)Acetylide Conjugated Polymer Containing AzaBODIPY Moieties for Panchromatic Photodetectors” LINK

Equipment for Spectroscopy

“Polymers : Role of Macrodiols in the Synthesis and Thermo-Mechanical Behavior of Anti-Tack Water Borne Polyurethane Dispersions” LINK

Process Control and NIR Sensors

“A Perfect Pair: Stabilized Black Phosphorous Nanosheets Engineering with Antimicrobial Peptides for Robust Multidrug Resistant Bacteria Eradication” LINK

Environment NIR-Spectroscopy Application

“Long-Term Liming Reduces the Emission and Temperature Sensitivity of N2o Via Altering Denitrification Functional Gene Ratio in Acidic Soil” LINK

“Environmental metabolomics approaches to identify and enhance secondary compounds in medicinal plants for bio-based plant protection” LINK

“Soil moisture determines nitrous oxide emission and uptake” LINK

“Remote Sensing : Evaluating the Capability of Satellite Hyperspectral Imager, the ZY1-02D, for Topsoil Nitrogen Content Estimation and Mapping of Farmlands in Black Soil Area, China” LINK

“Remote Sensing : Extending the GOSAILT Model to Simulate Sparse Woodland Bi-Directional Reflectance with Soil Reflectance Anisotropy Consideration” LINK

Agriculture NIR-Spectroscopy Usage

“Evaluation of Near-Infrared Reflectance and Transflectance Sensing System for Predicting Manure Nutrients” LINK

“Ecoenzymatic stoichiometry reflects the regulation of microbial carbon and nitrogen limitation on soil nitrogen cycling potential in arid agriculture ecosystems” | LINK

“Remote Sensing : Phenotypic Traits Estimation and Preliminary Yield Assessment in Different Phenophases of Wheat Breeding Experiment Based on UAV Multispectral Images” LINK

“Agronomy : Evaluation of Methods for Measuring Fusarium-Damaged Kernels Wheat” LINK

“Agriculture : Non-Destructive Detection of pH Value of Kiwifruit Based on Hyperspectral Fluorescence Imaging Technology” LINK

“Agronomy : Optical Spectrometry to Determine Nutrient Concentrations and other Physicochemical Parameters in Liquid Organic Manures: A Review” LINK

“Agriculture : The Effect of Tytanit on Fibre Fraction Content in Medicago x varia T. Martyn and Trifolium pratense L. Cell Walls” LINK

Horticulture NIR-Spectroscopy Applications

“Redefining the impact of preharvest factors on peach fruit quality development and metabolism: A review” LINK

“Accurate nondestructive prediction of soluble solids content in citrus by nearinfrared diffuse reflectance spectroscopy with characteristic variable selection” LINK

Forestry and Wood Industry NIR Usage

“Spectrometric Prediction of Nitrogen Content in Different Tissues of Slash Pine Trees” LINK

Food & Feed Industry NIR Usage

“Effects of Irrigation Strategy and Plastic Film Mulching on Soil N 2 O Emissions and Fruit Yields of Greenhouse Tomato” LINK

“Mini shortwave Spectroscopic Techniques and Multivariate Statistical Analysis as a Tool for Testing intact Cocoa beans at farmgate for Quality Control in Ghana” LINK

“Foods : Gluten Conformation at Different Temperatures and Additive Treatments” LINK

Pharma Industry NIR Usage

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

“Biomedicines : Pathophysiological Response to SARS-CoV-2 Infection Detected by Infrared Spectroscopy Enables Rapid and Robust Saliva Screening for COVID-19” LINK


“Unraveling the potential of phenomic selection within and among diverse breeding material of maize (Zea mays L.)” LINK

“Applied Sciences : Impact of Pheidole fallax (Hymenoptera: Formicidae) as an Ecosystem Engineer in Rehabilitated Coal Mine Areas” LINK

“The Spectral Mixture Residual: A Source of LowVariance Information to Enhance the Explainability and Accuracy of Surface Biology and Geology Retrievals” LINK

“Glycosylated MoS2 Sheets for Capturing and Deactivating E. coli Bacteria: Combined Effects of Multivalent Binding and Sheet Size” 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

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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