Spectroscopy and Chemometrics/Machine-Learning News Weekly #15, 2022

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Near-Infrared Spectroscopy (NIRS)

“Abstract TP65: Evaluation Of Leg Microvascular Function In Chronic Stroke Survivors Using Near Infrared Spectroscopy And The Vascular Occlusion Technique.” LINK

“Remote Sensing : Using Ensemble-Based Systems with Near-Infrared Hyperspectral Data to Estimate Seasonal Snowpack Density” LINK

“Ultra-Broadband and High Efficiency Near-Infrared Gd3ZnxGa5-2xGexO12: Cr3+ (x= 0-2.0) Garnet Phosphors via Crystal Field Engineering” LINK

“Analysis of initiator content of prepreg by near-infrared spectroscopy” | LINK

“Rapid Determination of Pachymic Acid Content by Near-Infrared Spectroscopy” | LINK

“Novel automatic model construction method for the rapid characterization of petroleum properties from near-infrared spectroscopy” LINK

“Rapid discrimination of Turkish commercial hazelnut (Corylus avellana L.) varieties using Near-Infrared Spectroscopy and chemometrics” LINK

“fNIRS brain measures of ongoing nociception during surgical incisions under anesthesia” | LINK

“An unexpected reduction in the value of near-infrared spectroscopy in a child with moyamoya disease” LINK




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

“Electrochromism of Nanographenes in the NearInfrared Region” LINK




Hyperspectral Imaging (HSI)

“Monitoring of Moisture Contents and Rehydration Rates of Microwave Vacuum and Hot Air Dehydrated Beef Slices and Splits Using Hyperspectral Imaging” LINK

“Rapid and nondestructive detection of marine fishmeal adulteration by hyperspectral imaging and machine learning” LINK

“Real-time monitoring the color changes of large yellow croaker (Larimichthys crocea) fillets based on hyperspectral imaging empowered with artificial intelligence” LINK

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

“The development of on-line surface defect detection system for jujubes based on hyperspectral images” LINK

“Spatio-Temporal Patterns of Aspergillus Flavus Infection and Aflatoxin B1 Biosynthesis on Maize Kernels Probed by SWIR Hyperspectral Imaging and Synchrotron …” LINK

“A back‐propagation neural network model using hyperspectral imaging applied to variety nondestructive detection of cereal” LINK

“An Attention Involved Network Stacked by Dual-channel Residual Block for Hyperspectral Image Classification” LINK

“Determination of total flavonoid and polysaccharide content in Anoectochilus formosanus in response to different light qualities using hyperspectral imaging” LINK




Chemometrics and Machine Learning

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

“Multivariate assessment for predicting antioxidant activity from clove and pomegranate extracts by MCR-ALS and PLS models combined to IR spectroscopy” LINK

“Sensors : Prediction of Neonatal Respiratory Distress Biomarker Concentration by Application of Machine Learning to Mid-Infrared Spectra” LINK

“Identification of Forsythia suspensa (Thunb.) Vahl in different harvest periods using intelligent sensory technologies, HPLC characteristic fingerprint coupled with chemometrics” LINK

“Corn Seed Defect Detection Based on Watershed Algorithm and Two-Pathway Convolutional Neural Networks” | LINK

“Blood Glucose Prediction Using Machine Learning on Jetson Nanoplatform” LINK

“Diffuse Reflection Infrared Fourier Transform Spectroscopy and Partial Least Squares Regression Analysis for Temperature Prediction of Irreversible Thermochromic Paints” LINK

“Rapid detection of fumonisin B(1) and B(2) in ground corn samples using smartphone-controlled portable near-infrared spectrometry and chemometrics” LINK

“Two-Dimensional Correlation Spectroscopy Combined with Deep Learning to Identify the Proximate Geographical Origin of Wolfberries and Optimization from Fusion …” LINK




Optics for Spectroscopy

“Nanomaterials : Long-Term Fluorescence Behavior of CdSe/ZnS Quantum Dots on Various Planar Chromatographic Stationary Phases” LINK

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




Facts

“Identification of coumarinbased food additives using terahertz spectroscopy combined with manifold learning and improved support vector machine” LINK




Research on Spectroscopy

“Studying sand component of soil texture using the spectroscopic method” LINK




Process Control and NIR Sensors

“Remote Sensing : Combining Spectral and Textural Information from UAV RGB Images for Leaf Area Index Monitoring in Kiwifruit Orchard” LINK

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




Environment NIR-Spectroscopy Application

“Strategies of efficient estimation of soil organic content at the local scale based on a national spectral database” LINK

“Remote Sensing : A Novel Spectral Index for Automatic Canola Mapping by Using Sentinel-2 Imagery” LINK

“Joint control by soil moisture, functional genes and substrates on response of N2O flux to climate extremes in a semiarid grassland” LINK

“Remote Sensing : The Brazilian Soil Spectral Service (BraSpecS): A User-Friendly System for Global Soil Spectra Communication” LINK

“Remote Sensing : Using LiDAR System as a Data Source for Agricultural Land Boundaries” LINK




Agriculture NIR-Spectroscopy Usage

“Using Unmanned Aerial Vehicle-Based Multispectral Image Data to Monitor the Growth of Intercropping Crops in Tea Plantation” | LINK

Fully Automated Hydroponics Farm. farm hydroponics tech DigitalTransformation innovation Robotics robots agriculture LINK

“Foods : Comprehensive Study of Traditional Plant Ground Ivy (Glechoma hederacea L.) Grown in Croatia in Terms of Nutritional and Bioactive Composition” LINK

“Prediction of fumonisins B1 and B2 in corn distiller’s dried grains with solubles through near infrared reflectance spectroscopy” LINK

“Energies : Logarithmic Mean Divisia Index Decomposition Based on Kaya Identity of GHG Emissions from Agricultural Sector in Baltic States” LINK

“Optical imaging spectroscopy for rapid, primary screening of SARS-CoV-2: a proof of concept” LINK

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

“Applied Sciences : Crop Classification for Agricultural Applications in Hyperspectral Remote Sensing Images” LINK

“A new salt-inclusion compound,| Ag4Br|@[B7O12], with a novel type of the porous double-layered borate anion and strong anharmonicity of the “guest” sublattice” LINK




Horticulture NIR-Spectroscopy Applications

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




Food & Feed Industry NIR Usage

“Foods : Exploring Chemical Markers Related to the Acceptance and Sensory Profiles of Concentrated Liquid Coffees: An Untargeted Metabolomics Approach” LINK

“Effects of Irrigation Strategy and Plastic Film Mulching on Soil N2O Emissions and Fruit Yields of Greenhouse Tomato” LINK




Pharma Industry NIR Usage

“The utility of cerebral autoregulation indices in detecting severe brain injury varies by cooling treatment phase in neonates with hypoxic-ischemic encephalopathy” LINK




Medicinal Spectroscopy

“The application of Raman spectroscopy and chemometric methods for analysis healthy blood and blood with BRCA mutation” LINK




Other

“Regional pulmonary oxygen saturations immediately after birth” LINK

“Near-IR study of the impact of alkyl-ammonium and-phosphonium cations on the hydration of montmorillonite” LINK

The only known photo of Schrodinger’s cat. LINK

“Radical Anions and Dianions of Naphthalenediimides Generated within Layer-by-Layer Zirconium Phosphonate Thin Films” LINK

“Genetic variation among pumpkin landraces based on seed qualities and molecular markers” | LINK

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




Spectroscopy and Chemometrics/Machine-Learning News Weekly #11, 2022

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Spectroscopy and Chemometrics News Weekly 10, 2022 | 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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Spettroscopia e Chemiometria Weekly News 10, 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)

“Rapid Measurement of Cellulose, Hemicellulose, and Lignin Content in Sargassum horneri by Near-Infrared Spectroscopy and Characteristic Variables Selection Methods” LINK

“Freshness Identification of Oysters Based on Colorimetric Sensor Array Combined with Image Processing and Visible Near-Infrared Spectroscopy” LINK

“Impaired Brain Activity in Patients With Persistent Atrial Fibrillation Assessed by Near-infrared Spectroscopy and Its Changes After Catheter Ablation” LINK

“Evaluation of a novel wireless near-infrared spectroscopy (NIRS) device in the detection of tourniquet induced ischaemia” LINK

“Identification and Quantitative Determination of Virgin and Recycled Cashmere: a Near-Infrared Spectroscopy Study” LINK

“Effect of Different Scanning Distances on Estimation of Oil Content in Oil Palm Fruitlets using Visible Shortwave Near Infrared Spectroscopy” LINK

“Prediction for total moisture content in wood pellets by Near Infrared Spectroscopy (NIRS)” LINK

“Rapid Construction of an Optimal Model for Near-Infrared Spectroscopy (NIRS) by Particle Swarm Optimization (PSO)” | LINK

“Learning fruit class from short wave near infrared spectral features, an AI approach towards determining fruit type” LINK

“Near infrared spectroscopy as a fast and non-destructive technique for total acidity prediction of intact mango: Comparison among regression approaches” LINK

“Non-destructive determination of four tea polyphenols in fresh tea using visible and near-infrared spectroscopy” LINK

“Invited review: A comprehensive review of visible and near-infrared spectroscopy for predicting the chemical composition of cheese” |(21)01099-7/fulltext LINK

“Cr3+-Doped Broadband Near Infrared Diopside Phosphor for NIR pc-LED” | LINK

“RAPID PREDICTION OF HYDROCARBON MOLECULAR COMPOSITION OF NAPHTHA BASED ON NEAR INFRARED SPECTROSCOPY” LINK

“Prediction of the intramuscular fat and protein content of freeze dried ground meat from cattle and sheep using NearInfrared Spectroscopy (NIRS)” LINK




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

“Nearinfrared spectroscopy for the inline classification and characterization of fruit juices for a productcustomized flash pasteurization” | LINK




Raman Spectroscopy

“A Proof-of-Principle Study of Non-invasive Identification of Peanut Genotypes and Nematode Resistance Using Raman Spectroscopy” | LINK




Hyperspectral Imaging (HSI)

“Quantitative prediction of moisture content distribution in acetylated wood using near-infrared hyperspectral imaging” | LINK

“Hyperspectral Imaging for Clinical Applications” | LINK

“Indirect quantitative analysis of soluble solid content in citrus by the leaves using hyperspectral imaging combined with machine learning” LINK

“Polysaccharide prediction in Ganoderma lucidum fruiting body by hyperspectral imaging” LINK

“Accurate prediction of soluble solid content in dried Hami jujube using SWIR hyperspectral imaging with comparative analysis of models” LINK




Spectral Imaging

“Spectral Comparison of UAV-Based Hyper and Multispectral Cameras for Precision Viticulture” LINK




Chemometrics and Machine Learning

“Spectral Pre-Processing and Multivariate Calibration Methods for the Prediction of Wood Density in Chinese White Poplar by Visible and Near Infrared Spectroscopy” LINK

“Screening Method for the Detection of Other Allergenic Nuts in Cashew Nuts Using Chemometrics and a Portable Near-Infrared Spectrophotometer” | LINK

“Removal of external influences from on-line vis-NIR spectra for predicting soil organic carbon using machine learning” LINK

“Silica-Carbonate of Ba(II) and Fe<sup>2+</sup>/Fe<sup>3+</sup> Complex as Study Models to Understand Prebiotic Chemistry” LINK

“Estimation of soil organic carbon using chemometrics: a comparison between mid-infrared and visible near infrared diffuse reflectance spectroscopy” LINK

“Quantitative Analysis of Methanol in Methanol Gasoline by Calibration Transfer Strategy Based on Kernel Domain Adaptive Partial Least Squares (kda-PLS)” | LINK

“Transformer Model for Functional Near-Infrared Spectroscopy Classification” LINK

“Forests : Spectral Pre-Processing and Multivariate Calibration Methods for the Prediction of Wood Density in Chinese White Poplar by Visible and Near Infrared Spectroscopy” LINK

“Few-Shot Open-Set Recognition of Hyperspectral Images With Outlier Calibration Network” LINK

“DISCRIMINATING BETWEEN FOREST PLANTATION GENERA USING REMOTE SENSING AND MACHINE LEARNING ALGORITHMS” LINK

“A Data Fusion Model to Merge the Spectra Data of Intact and Powdered Cayenne Pepper for the Fast Inspection of Antioxidant Properties” LINK




Optics for Spectroscopy

“Ultrafast and efficient energy transfer in a one- and two-photon sensitized rhodamine-BODIPY dyad: a perspective for broadly absorbing photocages” LINK




Research on Spectroscopy

“Polymers : Multifunctional Slippery Polydimethylsiloxane/Carbon Nanotube Composite Strain Sensor with Excellent Liquid Repellence and Anti-Icing/Deicing Performance” LINK




Environment NIR-Spectroscopy Application

“Divergent responses of soil microbial functional groups to long-term high nitrogen presence in the tropical forests” LINK

“Ammonia-oxidizing bacteria and fungal denitrifier diversity are associated with N2O production in tropical soils” LINK

“In Situ Synthesis of Phenoxazine Dyes in Water: Application for “TurnOn” Fluorogenic and Chromogenic Detection of Nitric Oxide” LINK

“Remote Sensing : Autonomous Differential Absorption Laser Device for Remote Sensing of Atmospheric Greenhouse Gases” LINK

“Remote Sensing : Maize Characteristics Estimation and Classification by Spectral Data under Two Soil Phosphorus Levels” LINK




Agriculture NIR-Spectroscopy Usage

” Yield, Yield Components, and Nutritive Value of Perennial Forage Grass Grown under Supplementary Irrigation” | LINK

“Seasonality and Grazing Management Effect on Growth and Nutritional Composition of Herbage on Semi-Natural Grasslands Grazed by Dairy Cows in Southwest …” LINK

“Sensors : Enhancing Crop Yield Prediction Utilizing Machine Learning on Satellite-Based Vegetation Health Indices” LINK

“Applied Sciences : Making Sense of Light: The Use of Optical Spectroscopy Techniques in Plant Sciences and Agriculture” LINK

“Determination of adulteration in wheat flour using multi-grained cascade forest-related models coupled with the fusion information of hyperspectral imaging” LINK

“Agronomy : Assessment of the Impact of Soil Contamination with Cadmium and Mercury on Leaf Nitrogen Content and Miscanthus Yield Applying Proximal Spectroscopy” LINK

“Agronomy : Current Skills of Students and Their Expected Future Training Needs on Precision Agriculture: Evidence from Euro-Mediterranean Higher Education Institutes” LINK




Horticulture NIR-Spectroscopy Applications

“Rapid and nondestructive prediction of firmness, soluble solids content, and pH in kiwifruit using Vis-NIR spatially resolved spectroscopy” LINK

“Spectral pattern study of citrus black rot caused by Alternaria alternata and selecting optimal wavelengths for decay detection” | LINK




Food & Feed Industry NIR Usage

“Phenomic selection in wheat breeding: identification and optimisation of factors influencing prediction accuracy and comparison to genomic selection” LINK

“Foods : Promoting Sustainable Lifestyle Habits: “Real Food” and Social Media in Spain” LINK

“Smartphone imaging spectrometer for egg/meat freshness monitoring” LINK




Beverage and Drink Industry NIR Usage

“The Potential of Spectroscopic Techniques in Coffee Analysis—A Review” LINK




Chemical Industry NIR Usage

“Polymers : Adsorption of Hydrolysed Polyacrylamide onto Calcium Carbonate” LINK




Pharma Industry NIR Usage

“Antibiotics : Curcumin: Biological Activities and Modern Pharmaceutical Forms” LINK




Other

“Better utilization of Lolium perenne in biorefineries based on its chemical composition” LINK

“Test-Retest Reliability of the Microvascular Oxygenation Recovery Response Subsequent to Submaximal Cycling Exercise” LINK

“Characterization of novel lunar highland and mare simulants for ISRU research applications” LINK

“Band Alignment of Ultrawide Bandgap ε-Ga2O3/h-BCN Heterojunction Epitaxially Grown by Metalorganic Chemical Vapor Deposition” LINK

“Coatings : Application of Artificial Neural Networks in Analysis of Time-Variable Optical Reflectance Spectra in Digital Light Projection Spectroscopy” LINK

“Kandungan karotenoid, antioksidan, dan kadar air dua varietas cabai rawit pada tingkat kematangan berbeda dan deteksi non-destruktif” LINK




Spectroscopy and Chemometrics/Machine-Learning News Weekly #9, 2022

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Near-Infrared Spectroscopy (NIRS)

“Research of Parameter Optimization of Preprocessing and Feature Extraction for NIRS Qualitative Analysis Based on PSO Method” LINK

“Fusion of a low-cost electronic nose and Fourier transform near-infrared spectroscopy for qualitative and quantitative detection of beef adulterated with duck.” LINK

“Assessment oil composition and species discrimination of Brassicas seeds based on hyperspectral imaging and portable near infrared (NIR) spectroscopy tools and …” LINK

“Prediksi Kualitas Buah Jambu Biji “Kristal” Secara NonDestruktif Menggunakan Portable Near Infrared Spectrometer (Nirs)” LINK

“Quantitative Analysis of Blend Uniformity within a Three-Chamber Feed Frame using Simultaneously Raman and Near-Infrared Spectroscopy” LINK

“Rapid Identification of Peucedanum Praeruptorum Dunn and its Adulterants by Hand-Held near-Infrared Spectroscopy” | LINK

“Methods of Detecting Multiple Chemical Substances Based on Near-Infrared Colloidal Quantum Dot Array and Spectral Reconstruction Algorithm” LINK

“Near-Infrared Spectroscopy Detection of Cotton/Polyester Content Based on Dropout Deep Belief Network” LINK

“Determining Pasture Biodiversity with NIRS” LINK

“Non-destructive prediction of the hotness of fresh pepper with a single scan using portable near infrared spectroscopy and a variable selection strategy.” LINK

“NIR Calibration Transfer Method Based on Minimizing Mean Distribution Discrepancy” LINK

“Near infrared spectroscopy reveals instability in retinal mitochondrial metabolism and haemodynamics with blue light exposure at environmental levels” LINK

“Study on Characteristic Wavelength Extraction Method for Near Infrared Spectroscopy Identification Based on Genetic Algorithm” LINK

“Discrimination of Transgenic Canola (Brassica napus L.) and their Hybrids with B. rapa using Vis-NIR Spectroscopy and Machine Learning Methods” LINK

“Recent Advances in Application of Near-Infrared Spectroscopy for Quality Detections of Grapes and Grape Products” LINK

“Detection of calcium chloride salts in rubber cublum using Near-Infrared Spectroscopy Technique” LINK

“PLS-DA and Vis-NIR spectroscopy based discrimination of abdominal tissues of female rabbits” LINK

“Sparse Reconstruction using Block Sparse Bayesian Learning with Fast Marginalized Likelihood Maximization for Near-Infrared Spectroscopy” LINK

“Study on Online Detection Method of “Yali” Pear Black Heart Disease Based on Vis-Near Infrared Spectroscopy and AdaBoost Integrated Model” LINK

“Detection of Umami Substances and Umami Intensity Based on Near-Infrared Spectroscopy” LINK

“Farklı ana materyal üzerinde oluşmuş toprakların adli bilim için VNIRS tekniği ile spektral karakterizasyonu ve özelliklerinin tahmin edilmesi” LINK

“Prediction of soil hydraulic properties using VIS-NIR spectral data in semi-arid region of Northern Karnataka Plateau” LINK

“Rapid Assessment of Fresh Beef Spoilage Using Portable Near-Infrared Spectroscopy” LINK

“The Relationship Between Genetic Variations and NIRs Differences of Eucalyptus Pellita Provenances” LINK

“Geographical Origin Discrimination of Taiping Houkui Tea Using Convolutional Neural Network and Near-Infrared Spectroscopy” LINK

“Assessment of soil quality using VIS-NIR spectra in invaded coastal wetlands” | LINK

“Relationship Between Visible/Near Infrared Spectral Data and Fertilization Information at Different Positions of Hatching Eggs” LINK




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

“Near Infrared Spectral Wavelength Selection Based on Improved Team Progress Algorithm” LINK

“Coupling ATR-FTIR Spectroscopy and Chemometric Analysis for Rapid and Non-Destructive Ink Discrimination of Forensic Documents” LINK

“Model-based mid-infrared spectroscopy for on-line monitoring of volatile fatty acids in the anaerobic digester” LINK

“Depthdependent hydration dynamics in human skin: Vehiclecontrolled efficacy assessment of a functional 10% urea plus NMF moisturizer by nearinfrared confocal spectroscopic imaging (KOSIM IR) and capacitance method complemented by volunteer perception” LINK

“Detection of Umami Substances and Umami Intensity Based on Near-Infrared Spectroscopy” LINK

“Early Detection of Cauliflower Gray Mold Based on Near-Infrared Spectrum Feature Extraction” LINK




Hyperspectral Imaging (HSI)

“Hyperspectral imaging for non-destructive detection of honey adulteration” LINK

“Study on the Spectral Characteristics of Ground Objects in Land-Based Hyperspectral Imaging” LINK

“Combine Hyperspectral Imaging and Machine Learning to Identify the Age of Cotton Seeds” LINK

“Nondestructive detection of total soluble solids in grapes using VMD‐RC and hyperspectral imaging” LINK

“Nondestructive Detection of Codling Moth Infestation in Apples Using Pixel-Based NIR Hyperspectral Imaging with Machine Learning and Feature Selection” LINK

“Research on Rich Borer Detection Methods Based on Hyperspectral Imaging Technology” LINK




Chemometrics and Machine Learning

“A Data Fusion Model to Merge the Spectra Data of Intact and Powdered Cayenne Pepper for the Fast Inspection of Antioxidant Properties” LINK

“Rapid Determination of β-Glucan Content of Hulled and Naked Oats Using near Infrared Spectroscopy Combined with Chemometrics” LINK

“Prediction Model of TVB-N Concentration in Mutton Based on Near Infrared Characteristic Spectra” LINK

“Optimization of Fruit Pose and Modeling Method for Online Spectral Detection of Apple Moldy Core” LINK




Research on Spectroscopy

“Local Preserving Projection Similarity Measure Method Based on Kernel Mapping and Rank-Order Distance” LINK

“A Method for Detecting Sucrose in Living Sugarcane With Visible-NIR Transmittance Spectroscopy” LINK




Process Control and NIR Sensors

“Cognitive and linguistic dysfunction after thalamic stroke and recovery process: possible mechanism” LINK




Environment NIR-Spectroscopy Application

“Empower Innovations in Routine Soil Testing” LINK




Agriculture NIR-Spectroscopy Usage

“Preharvest phenotypic prediction of grain quality and yield of durum wheat using multispectral imaging” LINK

“Cove-Edged Graphene Nanoribbons with Incorporation of Periodic Zigzag-Edge Segments” LINK

“Utilizing near infra-red spectroscopy to identify physiologic variations during digital retinal imaging in preterm infants” | LINK




Forestry and Wood Industry NIR Usage

“Spectrometric prediction of nitrogen content in different tissue types of trees 2” LINK

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




Food & Feed Industry NIR Usage

“Optical techniques in non-destructive detection of wheat quality: A review” LINK




Chemical Industry NIR Usage

“Quantifying Polaron Mole Fractions and Interpreting Spectral Changes in Molecularly Doped Conjugated Polymers” LINK




Pharma Industry NIR Usage

“Quantitative Changes in Muscular and Capillary Oxygen Desaturation Measured by Optical Sensors during Continuous Positive Airway Pressure Titration for …” LINK




Medicinal Spectroscopy

“406: PERIOPERATIVE NONINVASIVE NEUROMONITORING IN INFANTS WITH CONGENITAL HEART DISEASE” LINK




Laboratory and NIR-Spectroscopy

“Available on line at Directory of Open Access Journals” LINK




Other

“A Spectroscopic Study of Dysprosium-Doped TlPb2Br5 for Development of Novel Mid-IR Gain Media” LINK

“No differences in splenic emptying during on-transient supine cycling between aerobically trained and untrained participants” | LINK

“Influence of Substrate Temperature on Structural and Optical Properties of Co-Evaporated Cu2SnS3/ITO Thin Films” LINK

“Synthesis and characterization of new multinary selenides Sn4In5Sb9Se25 and Sn6. 13Pb1. 87In5. 00Sb10. 12Bi2. 88Se35” LINK





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Spectroscopy and Chemometrics/Machine Learning News Weekly #35, 2021

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Spectroscopy and Chemometrics News Weekly 34, 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 34, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 34, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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Near-Infrared Spectroscopy (NIRS)

“Minerals : The Role of Solar Energy (UV-VIS-NIR) as an Assistant for Sulfide Minerals Leaching and Its Potential Application for Metal Extraction” LINK

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

“Particle Swarm Optimization and Multiple Stacked Generalizations to Detect Nitrogen and Organic-Matter in Organic-Fertilizer Using Vis-NIR” | LINK

“Inversion Method for Cellulose Content of Rice Stem in Northeast Cold Region Based on Near Infrared Spectroscopy” LINK

“Sensors : Particle Swarm Optimization and Multiple Stacked Generalizations to Detect Nitrogen and Organic-Matter in Organic-Fertilizer Using Vis-NIR” LINK




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

“Smart Detection of Faults in Beers Using Near-Infrared Spectroscopy, a Low-Cost Electronic Nose and Artificial Intelligence” LINK

“Fault Isolation for Desalting Processes Using Near-Infrared Measurements” | LINK

“Temporal Changes in Near-Infrared Spectroscopy Signals in Recurrent In-Stent Restenosis Attributable to Calcified Nodule” LINK




Raman Spectroscopy

“Multivariate Analysis Aided Surface-Enhanced Raman Spectroscopy (MVA-SERS) Multiplex Quantitative Detection of Trace Fentanyl in Illicit Drug Mixtures Using a Handheld Raman Spectrometer” LINK




Hyperspectral Imaging (HSI)

“SWiVIA-Sliding Window Variographic Image Analysis for real-time assessment of heterogeneity indices in blending processes monitored with hyperspectral …” LINK

“Assessing produce freshness using hyperspectral imaging and machine learning” LINK

“Nondestructive prediction and visualization of total flavonoids content in Cerasus Humilis fruit during storage periods based on hyperspectral imaging technique” LINK

“Altered mineral mapping based on ground-airborne hyperspectral data and wavelet spectral angle mapper tri-training model: Case studies from Dehua-Youxi …” LINK




Chemometrics and Machine Learning

“Artificial bionic taste sensors coupled with chemometrics for rapid detection of beef adulteration” LINK

“Identification and Classification of Technical Lignins by means of Principle Component Analysis and kNearest Neighbor Algorithm” LINK

“A 50-year personal journey through time with principal component analysis. Ian Jolliffe. Journal of Multivariate Analysis.” LINK

“A feasibility quantitative analysis of free fatty acids in polished rice by fourier transform near‐infrared spectroscopy and chemometrics” LINK

“Forensics Applications of Raman Spectroscopy, ATR FT-IR, and Chemometrics” LINK

“Fast and non-destructive near infrared spectroscopic analysis associated with chemometrics: an efficient tool in assisting breeding programs” LINK

“Chemosensors : Environmental Odour Quantification by IOMS: Parametric vs. Non-Parametric Prediction Techniques” LINK

“ACD/Labs Partners with Science Data Experts to Aid Life Sciences Companies in Accelerating Their Implementation of Machine Learning and Artificial Intelligence Technologies” | MachineLearning ArtificialIntelligence Partnership LINK

“Remote Sensing : UCalib: Cameras Autocalibration on Coastal Video Monitoring Systems” LINK

“Medical urine analysis method based on Vis-NIR optical spectroscopy using machine learning algorithms.” LINK

“A feasibility quantitative analysis of free fatty acids in polished rice by fourier transform nearinfrared spectroscopy and chemometrics” LINK

“Diffuse reflectance spectroscopy based rapid coal rank estimation: A machine learning enabled framework” LINK

“Remote Sensing : Mapping Plastic Greenhouses with Two-Temporal Sentinel-2 Images and 1D-CNN Deep Learning” LINK




Research on Spectroscopy

“Polymers : Role of the Anilinium Ion on the Selective Polymerization of Anilinium 2-Acrylamide-2-methyl-1-propanesulfonate” LINK




Environment NIR-Spectroscopy Application

“A knowledge-based, validated classifier for the identification of aliphatic and aromatic plastics by WorldView-3 satellite data” LINK

“Sustainability : Assessment of Soil Pollution Levels in North Nile Delta, by Integrating Contamination Indices, GIS, and Multivariate Modeling” LINK

“Sensing and data fusion opportunities for raw material characterisation in mining: Technology and data-driven approach” LINK




Agriculture NIR-Spectroscopy Usage

“Evaluation of non-invasive bioforensic techniques for determining the age of hot-iron brand burn scars in cattle” LINK

“Nutrients : Diet and Leukocyte Telomere Length in a Population with Extended Longevity: The Costa Rican Longevity and Healthy Aging Study (CRELES)” LINK

“Spectral and lifetime resolution of fundus autofluorescence in advanced age‐related macular degeneration revealing different signal sources” LINK

“Linking insect herbivory with plant traits: phylogenetically structured trait syndromes matter” LINK

“An in vitro Propagation of Aspilia africana (Pers.) C. D. Adams, and Evaluation of Its Anatomy and Physiology of Acclimatized Plants” | LINK

“Urban Science : Effects of Urbanization on Ecosystem Services in the Shandong Peninsula Urban Agglomeration, in China: The Case of Weifang City” LINK

“Binding to Amyloid Protein by Photothermal BloodBrain BarrierPenetrating Nanoparticles for Inhibition and Disaggregation of Fibrillation” LINK




Food & Feed Industry NIR Usage

“Molecules : The Effect of Fat Content and Fatty Acids Composition on Color and Textural Properties of Butter” LINK

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

“Effect of Weather Conditions on the Fatty Acid Composition of Medium-Growth Chicken Reared in Organic Production System” LINK




Beverage and Drink Industry NIR Usage

“Chemosensors : Multi-Sensor Characterization of Sparkling Wines Based on Data Fusion” LINK

“コーヒー生豆の品質基準に関する研究” “Coffee flavor is considerably influenced by the quality of green coffee beans. ” LINK




Other

AI computers can’t patent their own inventions …. LINK



“Rape Variety Identification Based on Canopy Spectral Parameters” LINK

“Critical Review of LASSO and Its Derivatives for Variable Selection Under Dependence Among Covariates.” LINK

“近红外光谱法快速测定养生酒的酒精度方法研究” LINK

“全球食品领域近红外光谱应用研究文献计量分析” LINK

“Photochemical Synthesis of Nonplanar Small Molecules with Ultrafast Nonradiative Decay for Highly Efficient Phototheranostics” LINK

“Fluorescent Silicon Carbide Nanoparticles” LINK





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Digitization in the field of NIR spectroscopy (smart sensors)

Digitalization is advancing, also in NIR spectroscopy, which enables trainable miniature smart sensors e.g. for analyses in the food&feed, chemical and pharmaceutical sectors.

The calibration is the core of a NIR spectroscopy sensor, it enables the numerous applications and should therefore not be the weakest link in the measurement chain.

The development of calibrations that turn NIR spectrometers into smart sensors is done manually by experts (NIR specialist, chemometrician, data scientist) with so-called chemometrics software.

This is very time-consuming (time to market) and the result is person-dependent and thus suboptimal, because each expert has his own preferred way of proceeding. In addition, the calibrations have to be maintained, as new data has been collected in the meantime, which can be used to extend and improve the calibrations.

This is where our automated service comes in, combining the knowledge and good practices of NIR spectroscopy and chemometrics collected in one software and using machine learning to generate optimal calibrations.

Based on this, we have developed a complete technology platform (Time to Market) that covers the entire process from sending NIR + Lab data, to NIR Calibration as a Service, from online purchase of calibrations, to NIR Predictor software that directly evaluates newly measured NIR data locally and generates result reports.

Besides the free desktop version with user interface, the NIR Predictor can also be integrated (OEM). This can be integrated in parallel as a complement to your current Predictor, allowing the user to choose how they want to calibrate. And give them the advantage in NIR feasibility studies and NIR spectrometer evaluations to quickly provide the customer with a solid and accurate calibration that will make their NIR system deliver better results.

Advantages for your NIR users (internal or external)
  • no initial costs (no chemometrics software license required),
  • calculable operating costs (fixed amount instead of time and hourly rate) (calibration development, calibration maintenance)
  • easy to use (no chemometrics and software training),
  • quicker to use (no calibration development work) and
  • better calibrations (precision, accuracy, robustness, …)


Our chargeable service is based on the calibration development and the annual calibration use. Calibration development and calibration use can also be carried out separately (manufacturer / user).

For you as a spectrometer manufacturer, this means that you can deliver your system pre-calibrated for certain applications without incurring software license costs. And without your application specialists having to provide additional calibration services.

The unique advantages of our calibration service together with the free NIR Predictor are:
  • no software license costs (chemometrics software, predictor software, OEM integration)
  • no chemometrics know-how necessary
  • no time needed to develop optimal NIR calibrations.


If interested in using/evaluating the service :

About CalibrationModel.com : Time and knowledge intensive creation and optimization of chemometric evaluation methods for spectrometers as a service to enable more accurate analysis and measurement results.



see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper



Professional Development of NIR‑Spectroscopic Chemometric Calibration Models as a Service

In a nutshell (TL;DR) : spectroscopy calibration service and for which users is it suitable?



From your NIR + Lab data, we develop optimal NIR-Calibrations for you.
  • For any NIR spectrometer.
  • You don’t need a Chemometric or Math software!
It’s Your Data and Your Calibration.
  • You can anonymize your NIR + Lab data before sending.
  • We delete your NIR + Lab data after processing.
  • Only you get download access to your Calibrations.
Download the Calibrations.
  • You can see the Calibrations performance statistics.
  • You can try the Calibrations before you buy.
  • Fix cost per Calibration development and use. Paid on download.
Use the free NIR-Predictor Software tooling to
  • Check which of your NIR Spectral Data Formats is supported.
  • Combine your NIR + Lab data and create your Calibration Request.
  • Use your Calibrations to create Analysis Reports from new NIR data of measured samples.


For all NIR Spectrometers.

Use our included free NIR-Predictor software to create results!
Now new with native File Format support of mobile NIR instruments!

With the NIR-Predictor software,
you can use your NIRS calibration files locally and offline.

That means you can predict as much NIR data as you want,
at full speed without waiting at no extra cost
(it’s NOT a cloud prediction where you pay per result).

The NIR-Predictor shows which samples should be sent to the laboratory for reference analysis in order to complete the data for the next calibration.
This minimizes the laboratory effort and further costs. This is based on the fact that sample spectra that are foreign to the calibration are marked as outliers in the prediction report generated by the NIR-Predictor. This way, these samples can be analyzed in the laboratory and used to enhance the NIR + Lab data.


You don’t need a Chemometric Software.

NIR Calibration Service explained

See detailed Price List


Start Calibrate


Benefit

It Enables

Videos


WHAT

WHY

HOW

Our Knowhow

Why you can Trust us

  • Try before you buy with : free NIR-Predictor software included
  • Off-line predictions with NIR-Predictor, your data will not go into the cloud.
  • Data Privacy :
    General Data Protection Regulation (GDPR)
    Datenschutz-Grundverordnung (DSGVO)
  • We delete your data after processing : Terms of Service
  • Optionally data can be anonymized : Anonymizer Software
  • Swiss Quality Service and Software made in Switzerland
          
What our service provides is also known as:
  • NIR chemometric analytical method development
  • NIR chemometric analysis method development
  • NIR Spectrometric analytical method development
  • NIR Spectroscopic analytical method development
  • NIR spectrometry analytical method development
  • NIR spectrometry analysis method development
  • NIR Spectroscopic Analysis Methods Development
  • NIR spectral analysis methods development
  • NIR Spectrometry Analysis Methods Development
  • NIR Spectroscopy Analysis Methods Creation
  • Development of chemometric analysis methods in the NIR range
  • Development of chemometric analysis methods in the NIRS range
  • NIR Spectrometric analytical method development
  • NIR Spectrometric Analysis Method Development
  • NIRS Spectroscopic Analysis Method Development
  • NIR Development of spectroscopic analysis methods
  • Development of analytical methods of NIR spectrometry
  • NIR spectrometry analysis method development