Spectroscopy and Chemometrics/Machine-Learning News Weekly #1, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 52, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Near-Infrared Spectroscopy (NIRS)

“Wide band UV/Vis/NIR blazed-binary reflective gratings: two lithographic techniques investigation” LINK

“Scanning interferometric near-infrared spectroscopy for imaging of adult human forehead blood flow dynamics” LINK

“Near-infrared spectroscopy in process control and quality management of fruits and wine” LINK

“Potential of Vis-NIR to measure heavy metals in different varieties of organic-fertilizers using Boruta and deep belief network” LINK

“Quantification of Carbon Dioxide (CO2), Methane (CH4), and Nitrous Oxide (N2O) Using Near Infrared Spectroscopy and Multivariate Calibration in High …” LINK

“Development of NIRS re-calibration model for ethiopian barley (Hordeum vulgare) lines traits to determine their brewing potential” LINK

“Near-infrared spectroscopy of blood plasma with chemometrics towards HIV discrimination during pregnancy” LINK

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

“Nondestructive evaluation of the biogenic amine in crayfish (Prokaryophyllus clarkii) by nearinfrared spectroscopy” LINK

Raman Spectroscopy

“Quantitative age grading of mosquitoes using surfaceenhanced Raman spectroscopy” LINK

Hyperspectral Imaging (HSI)

“Moisture transport dynamics in wood during drying studied by long-wave near-infrared hyperspectral imaging” | LINK

“In-line monitoring of the residual moisture in impregnated black textile fabrics by hyperspectral imaging” LINK

“Hyperspectral imaging approach for the identification of construction and demolition waste from earthquake sites” LINK

Chemometrics and Machine Learning

“Class-modelling of overlapping classes. A two-step authentication approach” LINK

“Machine learning and chemometrics for electrochemical sensors: moving forward to the future of analytical chemistry” LINK

Research on Spectroscopy

“Synthesis of the Zn1. 9Cu0. 1SiO4 pigment via the sol-gel and coprecipitation methods” | LINK

“Portable vibrational spectroscopic methods can discriminate between grass-fed and grain-fed beef” LINK

“Polydimethylsiloxane tissue-mimicking phantoms with tunable optical properties” LINK

“Biocompatible POSS-gold nanocomposites synthesized by laser ablation in ethanol” LINK

Equipment for Spectroscopy

“Ultra-broadband, high-resolution microdroplet spectrometers for the Near Infrared” LINK

“Non-destructive determination of color, titratable acidity, and dry matter in intact tomatoes using a portable Vis-NIR spectrometer” LINK

“Diffuse Reflectance Illumination Module Improvements in Near-Infrared Spectrometer for Heterogeneous Sample Analysis” LINK

Agriculture NIR-Spectroscopy Usage

“Detection of soybean oil adulteration in cow ghee (clarified milk fat): An ultrafast study using flash gas chromatography electronic nose coupled with multivariate chemometrics” LINK

“Non-lipid-rich low attenuation plaque with intraplaque haemorrhage assessed by multimodality imaging: a case report” LINK

Horticulture NIR-Spectroscopy Applications

“Hyperspectral imaging and machine learning for the prediction of SSC in kiwi fruits” LINK

Food & Feed Industry NIR Usage

“Animals : Measurements of Chemical Compositions in Corn Stover and Wheat Straw by Near-Infrared Reflectance Spectroscopy” LINK

“Contrasting effects of biochar-and organic fertilizer-amendment on community compositions of nitrifiers and denitrifiers in a wheat-maize rotation system” LINK


“Single Crystals Heterogeneity Impacts the Intrinsic and Extrinsic Properties of MetalOrganic Frameworks” LINK

“基于高光谱数据研究应用近红外相机加装滤光片实现玉米叶片水分测量的关键参数” LINK

“Geochemical analysis and spectral characteristics of oil shale deposits in Wadi Abu Ziad, Western Irbid, Jordan” | LINK

” 可见光-近红外, 中红外光谱的土壤有机质组分反演” LINK

“Measurement of Somatic Cell Count in the 700-1,100 nm Short Wavelength Region: Comparison of At-Line and On-Line Measurement Modes” |(91)78179-4 LINK

Spectroscopy and Chemometrics/Machine-Learning News Weekly #47, 2021

NIR Calibration-Model Services

Knowledge-Based Variable Selection and Model Selection for near-infrared spectroscopy (NIRS) | PLSR PCA PCR PLS SVM LINK

Spectroscopy and Chemometrics News Weekly 46, 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 46, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 46, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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

Get the Spectroscopy and Chemometrics News Weekly in real time on Twitter @ CalibModel and follow us.

Near-Infrared Spectroscopy (NIRS)

“At-line quality assurance of deep-fried instant noodles using pilot scale visible-NIR spectroscopy combined with deep-learning algorithms” LINK

“Application of near-infrared spectroscopy technology in the complex fermentation system to achieve high-efficiency production” LINK

“Near-infrared optical spectroscopy for pancreas shrinkage estimation with multi synchrosqueezing transform and multivariate regression model” | LINK

“Translating near-infrared spectroscopy from laboratory to commercial slaughterhouse: existing challenges and solutions” LINK

“Aquaphotomics for Bio-Diagnostics in Dairy : Applications of near-Infrared Spectroscopy.” LINK

“Impact of near infrared (NIR) spectroscopy and hyperspectral (HS) imaging system to predict physicochemical composition and quality attributes of meat: A review” LINK

“Identification of lactic acid bacteria and rhizobacteria by ultraviolet-visible-near infrared spectroscopy and multivariate classification” LINK

“Applied Sciences : Aquaphotomics Reveals Subtle Differences between Natural Mineral, Processed and Aged Water Using Temperature Perturbation Near-Infrared Spectroscopy” LINK

“Comparison of different processing approaches by SVM and RF on HS-MS eNose and NIR Spectrometry data for the discrimination of gasoline samples” LINK

“An Overview of Near Infrared Spectroscopy and Its Applications in the Detection of Genetically Modified Organisms” LINK

“Use of near-infrared spectroscopy with Fourier Transform (FT-NIR) to accompany the Bovine Parasitic Sadness process.” LINK

“Near-infrared Stokes spectropolarimetry as a novel local measurement method of atomic line emission in SOL and divertor plasmas” LINK

“Handheld NIRS for forage evaluation” LINK

“Detection of Profenofos in Chinese Kale, Cabbage, and Chili Spur Pepper Using Fourier Transform Near-Infrared and Fourier Transform Mid-Infrared Spectroscopies” LINK

“Determination of the Geographical Origin of Hazelnuts (Corylus avellana L.) by Near-Infrared Spectroscopy (NIR) and a Low-Level Fusion with Nuclear Magnetic …” LINK

“Foods : On-Line Real-Time Monitoring of a Rapid Enzymatic Oil Degumming Process: A Feasibility Study Using Free-Run Near-Infrared Spectroscopy” LINK

“Determination of Moisture, Fat, Carbohydrates and Protein Contents in Flour by Near Infrared Spectroscopy” LINK

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

“Nearinfrared optical spectroscopy for pancreas shrinkage estimation with multi synchrosqueezing transform and multivariate regression model” LINK

“Prospector: A mobile application for portable, high‐throughput near‐infrared spectroscopy phenotyping” LINK

“Indandioneterminated quinoidal compounds for lowbandgap small molecules with strong nearinfrared absorption: effect of conjugation length on the properties” LINK

“Chemometric approach to characterization of the selected grape seed oils based on their fatty acids composition and FTIR spectroscopy” LINK

“Heat impact control in flash pasteurization by estimation of applied pasteurization units using near infrared spectroscopy” LINK

“Revealing the interactions of water with cryoprotectant and protein by near− infrared spectroscopy” LINK

Raman Spectroscopy

“Silk fibroin fibers decorated with urchin-like Au/Ag nanoalloys: a flexible hygroscopic SERS sensor for monitoring of folic acid in human sweat” LINK

Hyperspectral Imaging (HSI)

“HyperMixNet: Hyperspectral Image Reconstruction With Deep Mixed Network From a Snapshot Measurement” LINK

“Hyperspectral image classification based on parallel-branch expectation-maximization attention mechanism” LINK

“Applied Sciences : Variety Identification of Chinese Walnuts Using Hyperspectral Imaging Combined with Chemometrics” LINK

“Visualization of heavy metal cadmium in lettuce leaves based on wavelet support vector machine regression model and visiblenear infrared hyperspectral imaging” LINK

“Improving the estimation accuracy of SPAD values for maize leaves by removing UAV hyperspectral image backgrounds” LINK

“Leaf water content estimation using top-of-canopy airborne hyperspectral data” LINK

Terahertz Spectroscopy

“Sensors : Terahertz Imaging for Breast Cancer Detection” LINK

Chemometrics and Machine Learning

“Comparative study of preprocessing on ATRFTIR calibration model for insitu monitoring of solution concentration in cooling crystallization” LINK

“Variable selection for near-infrared spectrum modeling based on fast nondominated sorting genetic algorithm” LINK

“Ripening assessment of ‘Ortanique'(Citrus reticulata Blanco x Citrus sinensis (L) Osbeck) on tree by SW-NIR reflectance spectroscopy-based calibration models” LINK

“Molecules : Quantification of Corn Adulteration in Wet and Dry-Processed Peaberry Ground Roasted Coffees by UVVis Spectroscopy and Chemometrics” LINK

“A best-practice guide to predicting plant traits from leaf-level hyperspectral data using partial least squares regression ” | LINK

“Development of a new approach for a rapid IDENTIfication and CLASSification of uranium powders using colour, image texture and spectroscopy signatures” LINK

“Foods : Electronic Tongue as a Correlative Technique for Modeling Cattle Meat Quality and Classification of Breeds” LINK

“Digital Twin of Low Dosage Continuous Powder Blending – Artificial Neural Networks and Residence Time Distribution Models” LINK

Optics for Spectroscopy

“A new penternary semiconductor Cu2CoSn (SSe) 4 nanocrystal: a study on structural, dielectric and optical properties” | LINK

Research on Spectroscopy

“Polymers : Valorization Strategy for Leather Waste as Filler for High-Density Polyethylene Composites: Analysis of the Thermal Stability, Insulation Properties and Chromium Leaching” LINK

“Multi-method exploration of the relationship between sleep and infant neurocognitive development” LINK

“Opportunities and Limitations of Mobile Neuroimaging Technologies in Educational Neuroscience” LINK

“A Triphenylphosphonium Functionalized AIE Conjugated Macrocyclic Tetramaleimide for Mitochondrialtargeting Bioimaging” LINK

Equipment for Spectroscopy

“Evaluation of MEMS NIR Spectrometers for On-Farm Analysis of Raw Milk Composition” LINK

“Light-induced off-axis cavity-enhanced thermoelastic spectroscopy in the near-infrared for trace gas sensing” LINK

“Tunable diode laser-based two-line thermometry: a noncontact thermometer for active body temperature measurement” LINK

Environment NIR-Spectroscopy Application

“Remote Sensing : Identifying the Spectral Signatures of Invasive and Native Plant Species in Two Protected Areas of Pakistan through Field Spectroscopy” LINK

Agriculture NIR-Spectroscopy Usage

“Prediction of protein and amino acid composition and digestibility in individual feedstuffs and mixed diets for pigs using Near-infrared spectroscopy” LINK

” Genome-Wide Association Studies of Soybean Yield-Related Hyperspectral Reflectance Bands Using Machine Learning-Mediated Data Integration Methods” LINK

“impact of donor nutritional balance on the growth and development of mesenchymal stem cells from caprine umbilical cord Wharton´s jelly” | LINK

“Biosensors : Distinguishing Amyloid -Protein in a Mouse Model of Alzheimers Disease by Label-Free Vibrational Imaging” LINK

“From RGB to NIR: Predicting of Near Infrared Reflectance From Visible Spectrum Aerial Images of Crops” LINK

“Remote Sensing : Ir-UNet: Irregular Segmentation U-Shape Network for Wheat Yellow Rust Detection by UAV Multispectral Imagery” LINK

Forestry and Wood Industry NIR Usage

“Adaptive Bayesian Sum of Trees Model for Covariate Dependent Spectral Analysis. (arXiv:2109.14677v1 [stat.ME])” LINK

Food & Feed Industry NIR Usage

“Study on the aqueous dispersibility of multi-walled carbon nanotubes bearing modified corn starch” | LINK

“Remote Sensing : Incorporating Multi-Scale, Spectrally Detected Nitrogen Concentrations into Assessing Nitrogen Use Efficiency for Winter Wheat Breeding Populations” LINK

Chemical Industry NIR Usage

“Polymers : Partial Polymer Blend for Fused Filament Fabrication with High Thermal Stability” LINK

Petro Industry NIR Usage

“Energy-resolved plasmonic chemistry in individual nanoreactors” | LINK

Medicinal Spectroscopy

“Measurement of Tissue Oximetry in Standing Unsedated and Sedated Horses” LINK


“Structural and chemical modifications of oxides and OH generation by space weathering: Electron microscopic/spectroscopic study of hydrogen-ion-irradiated Al2O3” LINK

“Caractérisation de la composition chimique de l’espèce Aloe macra par spectrométrie proche infrarouge” LINK


“Optical and structure properties of CH3NH3PbI3 perovskite films doped with Cesium” LINK

“Cultivation and Performance Analysis of Simultaneous Partial Nitrification, ANAMMOX, and Denitratation Granular Sludge” LINK

” 近红外光谱的通用聚苯乙烯牌号在线识别方法” LINK

“Biosensors : An Optical Smartphone-Based Inspection Platform for Identification of Diseased Orchids” LINK

Spectroscopy and Chemometrics/Machine Learning News Weekly #36, 2021

NIR Calibration-Model Services

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

Spectroscopy and Chemometrics News Weekly 35, 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

Get the Spectroscopy and Chemometrics News Weekly in real time on Twitter @ CalibModel and follow us.

Near-Infrared Spectroscopy (NIRS)

“NIRS-ICA: A MATLAB Toolbox for Independent Component Analysis Applied in fNIRS Studies” | LINK

“NIRS and manure composition (NIMACO)” LINK

“Shining a light on cultural neuroscience: Recommendations on the use of fNIRS to study how sociocultural contexts shape the brain” LINK

“Evaluation of Grape Juice Quality by Near Infrared Spectroscopy and Chemometrics” “การ ประเมิน คุณภาพ น้ำ องุ่น ด้วย เนีย ร์ อินฟราเรด สเปก โทร ส โก ปี และ เค โมเม ท ริก ซ์” LINK

“Development of a soil fertility index using on-line Vis-NIR spectroscopy” LINK

“PDA@Ti3C2Tx as a novel carrier for pesticide delivery and its application in plant protection: NIRresponsive controlled release and sustained antipest activity” LINK

“NIR surface enhanced Raman spectra of biological hemes: Solvation and plasmonic metal effects” LINK

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

“Near Infrared Feature Waveband Selection for Fishmeal Quality Assessment by Frequency Adaptive Binary Differential Evolution” LINK

“Polymers : Prediction of Residual Curing Capacity of Melamine-Formaldehyde Resins at an Early Stage of Synthesis by In-Line FTIR Spectroscopy” LINK

“Infrared spectroscopy and forensic entomology: Can this union work? A literature review” | LINK

“Near-Infrared Spectroscopy for Ganoderma Boninense Detection: An Outlook” | LINK

“Investigation of domestic hen Egg quality in terms of Fertilization during storage using Near Infrared Spectroscopy” LINK

“Application of near-infrared spectroscopy in detecting residual crystallinity in carbamazepine-Soluplus® solid dispersions prepared with solvent casting and hot-melt …” LINK

“From at-line analysis to on-site control in the Iberian pig industry using Near Infrared Spectroscopy sensors” LINK

“Determination of α-guaiene and azulene chemical content in patchouli aromatic oil (Pogostemon cablin Benth.) from Indonesia by Near-infrared spectroscopy” LINK

Hyperspectral Imaging (HSI)

“Hyperspectral Image Stitching via Optimal Seamline Detection” LINK

“Optimization of a saccharin molecularly imprinted solid-phase extraction procedure and evaluation by MIR hyperspectral imaging for analysis of diet tea by HPLC” LINK

“Hyperspectral detection and monitoring of salt stress in pomegranate cultivars” LINK

“Supervoxel-Based Intrinsic Scene Properties From Hyperspectral Images and LiDAR” LINK

” A combination method of stacked autoencoder and 3D deep residual network for hyperspectral image classification” LINK

Chemometrics and Machine Learning

“Multi-product Calibration Model for Soluble Solids and Water Content Quantification in Cucurbitaceae family, using Visible/Near-Infrared Spectroscopy” LINK

“Deep chemometrics: Validation and transfer of a global deep nearinfrared fruit model to use it on a new portable instrument” LINK

“Healthcare : Multimodal Early Alzheimers Detection, a Genetic Algorithm Approach with Support Vector Machines” LINK

“Ability of near infrared spectroscopy and chemometrics to measure the phytic acid content in maize flour” LINK

“One-class classification of special agroforestry Brazilian coffee using NIR spectrometry and chemometric tools” LINK

“Remote Sensing : Comparison of Modelling Strategies to Estimate Phenotypic Values from an Unmanned Aerial Vehicle with Spectral and Temporal Vegetation Indexes” LINK


“Spectral Anomaly Detection Based on Dictionary Learning for Sea Surfaces” LINK

Research on Spectroscopy

“A Review on Meat Quality Evaluation Methods Based on Non-Destructive Computer Vision and Artificial Intelligence Technologies” | LINK

“Electrochemical and Spectroscopic Studies on Triarylamine‐Polychlorotriphenylmethyl Dyads with Particularly Strong Triarylamine Donors” LINK

Equipment for Spectroscopy

“Polymers : Polyethylene/Polyamide Blends Made of Waste with Compatibilizer: Processing, Morphology, Rheological and Thermo-Mechanical Behavior” LINK

Future topics in Spectroscopy

According to Precision Business Insights the global molecular spectroscopy market size valued USD 5.6 billion in 2020 and expected to reach USD 10.4 billion by 2027, at a CAGR of 7.23% during forecast period 2021 to 2027. LINK

Process Control and NIR Sensors

“Monitoring of high-load dose formulations based on co-processed and non co-processed excipients” LINK

“Sensors : Development of Gas Sensor Array for Methane Reforming Process Monitoring” LINK

“Process analytical technology as a tool to optimize and accelerate pharmaceutical process development” LINK

“Recent developments in vibrational spectral analyses for dynamically assessing and monitoring food dehydration processes” LINK

Environment NIR-Spectroscopy Application

“Effects of Biochar Addition Under Different Water Management Conditions on N 2 O Emission From Paddy Soils in Northern Hainan” LINK

“Remote Sensing : Using Synthetic Remote Sensing Indicators to Monitor the Land Degradation in a Salinized Area” LINK

Agriculture NIR-Spectroscopy Usage

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

“Extraction of spatial-spectral homogeneous patches and fractional abundances for field-scale agriculture monitoring using airborne hyperspectral images” LINK

“Research advancements in optical imaging and spectroscopic techniques for nondestructive detection of mold infection and mycotoxins in cereal grains and nuts” LINK

“Agronomy : Characterization of Oilseed Crop Noug (Guizotia abyssinica) Using Agro-Morphological Traits” LINK

“Tradeoffs in the Spatial and Spectral Resolution of Airborne Hyperspectral Imaging Systems: A Crop Identification Case Study” LINK

“Agriculture : Quantitative Evaluation of Color, Firmness, and Soluble Solid Content of Korla Fragrant Pears via IRIV and LS-SVM” LINK

“Agronomy : Agro-Morphological and Molecular Variability among Algerian Faba Bean (Vicia faba L.) Accessions” LINK

“Effects of Dielectric Properties and Microstructures on Microwave-Vacuum Drying of Mushroom (Agaricus bisporus) Caps and Stipes Evaluated by Non-destructive …” LINK

“Liming improves the stability of soil microbial community structures against the application of digestate made from dairy wastes” LINK

“Animals : Identifying Health Status in Grazing Dairy Cows from Milk Mid-Infrared Spectroscopy by Using Machine Learning Methods” LINK

“Agronomy : Effect of Ascophyllum nodosum Alga Application on Microgreens, Yield, and Yield Components in Oats Avena sativa L” LINK

Horticulture NIR-Spectroscopy Applications

“… of the Soluble Solid Content and Acidity by Prediction Models for Different Colored Tomato Fruits using a Small Device for Visible and Near-infrared Spectroscopy …” LINK

Food & Feed Industry NIR Usage

“Foods : Study on the Lamb Meat Consumer Behavior in Brazil” LINK

“Foods : Analytical Rheology of Honey: A State-of-the-Art Review” LINK

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

“Foods : Interaction of Bioactive Mono-Terpenes with Egg Yolk on Ice Cream Physicochemical Properties” LINK


“Influence of modified biochar supported Fe-Cu/polyvinylpyrrolidone on nitrate removal and high selectivity towards nitrogen in constructed wetlands” LINK

“The Story of 5d Metallocorroles: From Metal-Ligand Misfits to New Building Blocks for Cancer Phototherapeutics” LINK

“Effect of Surface Chemical Modification on the Self Assembly of Metal Nanoparticles” LINK


“On the signal contribution function with respect to different norms” LINK

“Forests : Bioclimatic Suitability of Actual and Potential Cultivation Areas for Jacaranda mimosifolia in Chinese Cities” LINK

“Effects of Vanadium on the Structural and Optical Properties of Borate Glasses Containing Er<sup>3+</sup> and Silver Nanoparticles” LINK