Spectroscopy and Chemometrics/Machine-Learning News Weekly #6, 2023

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

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 5, 2023 | 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 5, 2023 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 5, 2023 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

“SOP for near infrared spectroscopy (NIRS) acquisition on sweetpotato roots and potato tubers. Work package 3” LINK

“[ZITATION][C] 147 Profiling boar semen quality through near-infrared spectroscopy and proteomic tools” LINK

“Prediction of Na-and Ca-montmorillonite contents and swelling properties of clay mixtures using Vis-NIR spectroscopy” LINK

“Component Prediction of Antai Pills Based on One-Dimensional Convolutional Neural Network and Near-Infrared Spectroscopy” LINK

“Biosensors : Recent Advances of NIR-II Emissive Semiconducting Polymer Dots for In Vivo Tumor Fluorescence Imaging and Theranostics” | LINK

“Exploring the Analytical Complexities in Insect Powder Analysis Using Miniaturized NIR Spectroscopy. Foods 2022, 11, 3524” LINK

“Moisture content monitoring in withering leaves during black tea processing based on electronic eye and near infrared spectroscopy” | LINK

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

“Hydrogen Bonding from Perspective of Overtones and Combination Modes: NearInfrared Spectroscopic Study” LINK

“Enhancing the cooling properties of lowdensity polyethylene films by combining nearinfrared reflective additives” LINK

“Analysis of Local Samples of Paracetamol at Bamako by Reflectance Near-Infrared Spectroscopy” LINK

“Efficient and Thermally Robust Broadband Near‐Infrared Emission in a Garnet Ca3MgHfGe3O12:Cr3+ Phosphor” LINK

Hyperspectral Imaging (HSI)

“Hyperspectral technique combined with stacking and blending ensemble learning method for detection of cadmium content in oilseed rape leaves” LINK

“A review of hyperspectral imaging in the quality evaluation of meat, fish, poultry and their products” LINK

“Prediction of yam cooking behavior using hyperspectral imaging. Report on HSI calibrations for dry matter, pectin, starch & texture on raw fresh yam slices, at CIRAD …” LINK

“Raman spectroscopy and NIR hyperspectral imaging for in-line estimation of fatty acid features in salmon fillets” LINK

Chemometrics and Machine Learning

“Fast quantification of diclofenac sodium content in commercially available tablets by transmission Raman spectroscopy with PLS” LINK

“midIR spectroscopy study of aqueous solution of ethylene glycol using chemometrics analysis and 2dimensional correlation spectroscopy” LINK

“Plants : Classification and Prediction by Pigment Content in Lettuce (Lactuca sativa L.) Varieties Using Machine Learning and ATR-FTIR Spectroscopy” | LINK

“Foods : An Overview on the Application of Chemometrics Tools in Food Authenticity and Traceability” | LINK

“Optimization of spectral pre-processing techniques for estimation of surface soil properties from airborne AVIRIS-NG” LINK

Optics for Spectroscopy

“Sensors : Near-IR & Mid-IR Silicon Photonics Modulators” | LINK

Equipment for Spectroscopy

“Toward Plasmonic Neural Probes: SERS Detection of Neurotransmitters through Gold Nanoislandsdecorated Tapered Optical fibers with sub10 nm Gaps” LINK

Process Control and NIR Sensors

“Capacitance spectroscopy enables realtime monitoring of early cell death in mammalian cell culture” LINK

Horticulture NIR-Spectroscopy Applications

“A Series of Soluble Planar Oligorylenes up to Hexarylene” LINK

Food & Feed Industry NIR Usage

“Foods : A New Approach in Meat Bio-Preservation through the Incorporation of a Heteropolysaccharide Isolated from Lobularia maritima L.” | LINK

“Foods : Emerging Postharvest Technologies to Enhance the Shelf-Life of Fruit and Vegetables: An Overview” | LINK

Chemical Industry NIR Usage

“Polymers : Study of Morphology, Rheology, and Dynamic Properties toward Unveiling the Partial Miscibility in Poly(lactic acid)—Poly(hydroxybutyrate-co-hydroxyvalerate) Blends” | LINK

Other

“Detection of bruised loquats based on reflectance, absorbance and Kubelka-Munk spectra” | LINK

“Longitudinal alterations of pulmonary [… formula…] O2 on-kinetics during moderate-intensity exercise in competitive youth cyclists are related to alterations in the …” | LINK

Spectroscopy and Chemometrics/Machine-Learning News Weekly #25, 2022Spektroskopie und Chemometrie/Machine-Learning News Wöchentlich #25, 2022Spettroscopia e Chemiometria/Machine-Learning Weekly News #25, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 24, 2022 | 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)

"Nanoarchitectonics of Glass Coatings for Near-Infrared Shielding: From Solid-State Cluster-Based Niobium Chlorides to the Shaping of Nanocomposite Films" LINK

"Differentiation of Gelsemium elegans-containing toxic honeys and non-toxic honeys by near infrared spectroscopy combine with aquaphotomics" LINK

"Identification of geographical origin and different parts of Wolfiporia cocos from Yunnan in China using PLS-DA and ResNet based on FT-NIR" LINK

"Rapid Detection of Goat Milk Mixed with Bovine Milk and Infant Goat Milk Formulas Mixed with Bovine Whey Powder by NIRS Fingerprints LINK

"Nondestructive Characterization of Citrus Fruit by near-Infrared Diffuse Reflectance Spectroscopy (NIRDRS) with Principal Component Analysis (PCA) and Fisher ..." LINK

"Near-Infrared Spectroscopy to Predict Provitamin A Carotenoids Content in Maize" LINK

"... in Cytochrome C Oxidase Redox State and Hemoglobin Concentration in Rat Brain During 810 nm Irradiation Measured by Broadband Near-Infrared Spectroscopy" LINK

"A stacked regression ensemble approach for the quantitative determination of biomass feedstock compositions using near infrared spectroscopy" LINK

"Prediction of maize flour adulteration in chickpea flour (besan) using near infrared spectroscopy" | LINK

"Country of origin label monitoring of musky and common octopuses (Eledone spp. and Octopus vulgaris) by means of a portable near-infrared spectroscopic device" LINK

"A Long Short-Term Memory Neural Network Based Simultaneous Quantitative Analysis of Multiple Tobacco Chemical Components by Near-Infrared" LINK

"Identification of human hair wigs and animal hair wigs by the method of near infrared spectroscopy modeling" LINK

"Real-time recognition of different imagined actions on the same side of a single limb based on the fNIRS correlation coefficient" | LINK

"EFFECT OF COW INDIVIDUALITY ON ACCURACY OF CALIBRATION MODELS USING NEAR-INFRARED SPECTROSCOPY FOR DETERMINING MILK ..." LINK

"Agronomy : Potential of NIRS Technology for the Determination of Cannabinoid Content in Industrial Hemp (Cannabis sativa L.)" LINK

"Polymers : Near-Infrared Light-Remote Localized Drug Delivery Systems Based on Zwitterionic Polymer Nanofibers for Combination Therapy" LINK

"Identification of geographical origin and different parts of Wolfiporia cocos from Yunnan in China using PLSDA and ResNet based on FTNIR" LINK

"Highly Efficient and Stable Near-Infrared Broadband Garnet Phosphor for Multifunctional Phosphor-Converted Light-Emitting Diodes" LINK

"Comparative Determination of Phenolic Compounds in Arabidopsis thaliana Leaf Powder under Distinct Stress Conditions Using FT-IR and FT-NIR Spectroscopy" LINK

"Application of near-infrared spectroscopy/artificial neural network to quantify glycosylated norisoprenoids in Tannat grapes" LINK




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

"Excessive Increase in the Optical Band Gap of NearInfrared Semiconductor Lead (II) Sulfide via the Incorporation of Amino Acids" LINK

"Analyzing the Water Confined in Hydrogel Using Near-Infrared Spectroscopy" LINK

"Rapid identification of the geographic origin of Taiping Houkui green tea using near‐infrared spectroscopy combined with a variable selection method" LINK

"Near-Infrared Spectroscopy to Predict Provitamin A Carotenoids Content in Maize" LINK




Hyperspectral Imaging (HSI)

"High-Quality Self-Supervised Snapshot Hyperspectral Imaging" LINK

"Non-destructive age estimation of biological fluid stains: An integrated analytical strategy based on near-infrared hyperspectral imaging and multivariate regression" LINK

"Foods : Identification of Moldy Peanuts under Different Varieties and Moisture Content Using Hyperspectral Imaging and Data Augmentation Technologies" LINK

"Remote Sensing : Wood Decay Detection in Norway Spruce Forests Based on Airborne Hyperspectral and ALS Data" LINK

"Hyperspectral imaging coupled with CNN: A powerful approach for quantitative identification of feather meal and fish by-product meal adulterated in marine fishmeal" LINK




Chemometrics and Machine Learning

"Angle Prediction of Lipid Rich and Calcified Plaque in Computed Tomography Angiography Images" LINK

"Classification of Waste Wood Categories According to the Best Reuse Using Ft-Nir Spectroscopy and Chemometrics" LINK

"Developing a generalized vis-NIR prediction model of soil moisture content using external parameter orthogonalization to reduce the effect of soil type" LINK

"Applied Sciences : A New CO2-EOR Methods Screening Model Based on Interdependency Parameters" LINK

"Insights on the role of chemometrics and vibrational spectroscopy in fruit metabolite analysis" | LINK

"Modeling method and miniaturized wavelength strategy for near-infrared spectroscopic discriminant analysis of soy sauce brand identification" LINK




Optics for Spectroscopy

"Chemical Interface Damping in Nonstoichiometric Semiconductor Plasmonic Nanocrystals: An Effect of the Surrounding Environment" LINK




Research on Spectroscopy

"Alternative Supervised Methods" LINK

"Supervised Methods" LINK




Equipment for Spectroscopy

"As the number falls, alternatives to the Hagberg-Perten falling number method: A review" LINK




Process Control and NIR Sensors

"Cognitive and linguistic dysfunction after thalamic stroke and recovery process: possible mechanism" | LINK

"Sensors : Applications of Online UV-Vis Spectrophotometer for Drinking Water Quality Monitoring and Process Control: A Review" LINK




Agriculture NIR-Spectroscopy Usage

"Foods : Analysis of Key Chemical Components in Aqueous Extract Sediments of Panax Ginseng at Different Ages" LINK

" AA′-Stacked Trilayer Hexagonal Boron Nitride" LINK

"Biomass and Plastic Co-Pyrolysis for Syngas Production: Characterisation of Celtis Mildbraedii Sawdust as a Potential Feedstock" LINK

"Estimation of forage quality by near infrared reflectance spectroscopy in dallisgrass, Paspalum dilatatum, poir" LINK

"Detection of Stored Grain Insect" LINK

"Estimation of crude protein and amino acid contents in whole, ground and defatted ground soybeans by different types of near-infrared (NIR) reflectance spectroscopy" LINK

"Molecules : The Potential Use of Herbal Fingerprints by Means of HPLC and TLC for Characterization and Identification of Herbal Extracts and the Distinction of Latvian Native Medicinal Plants" LINK

ZEUTEC presents a new generation of the SpectraAlyzer GRAIN – the SpectraAlyzer GRAIN NEO with new features, state-of-the-art design, better performance and with the aim of bringing a new perspective to grain testing. LINK

"Genetic variation for seed storage protein composition in rapeseed (Brassica napus) and development of near‐infrared reflectance spectroscopy calibration ..." LINK




Food & Feed Industry NIR Usage

"Effect of microbial community structures and metabolite profile on greenhouse gas emissions in rice varieties" LINK

"Quantitative assessment of wheat quality using near‐infrared spectroscopy: A comprehensive review" LINK




Pharma Industry NIR Usage

"Rapid Pentosan Polysulfate Sodium (PPS) Maculopathy Progression." LINK




Laboratory and NIR-Spectroscopy

"Multispectral Smartphone Camera Reveals Paintings’ Inner Secrets" LINK




Other

"Preparation of One-Dimensional Polyaniline Nanotubes as Anticorrosion Coatings" LINK

"Complex Block Structures; with Focus on LShape Relations" LINK

"D--A type conjugated indandione derivatives: ultrafast broadband nonlinear absorption responses and transient dynamics" | LINK

"Spectroscopic and optical investigations on Er3+ ions doped alkali cadmium phosphate glasses for laser applications" LINK

"Carbazole Isomerism in Helical Radical Cations: Spin Delocalization and SOMO-HOMO Level Inversion in the Diradical State" LINK





NIR Calibration-Model Services

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 24, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK




Near-Infrared Spectroscopy (NIRS)

"Nanoarchitectonics of Glass Coatings for Near-Infrared Shielding: From Solid-State Cluster-Based Niobium Chlorides to the Shaping of Nanocomposite Films" LINK

"Differentiation of Gelsemium elegans-containing toxic honeys and non-toxic honeys by near infrared spectroscopy combine with aquaphotomics" LINK

"Identification of geographical origin and different parts of Wolfiporia cocos from Yunnan in China using PLS-DA and ResNet based on FT-NIR" LINK

"Rapid Detection of Goat Milk Mixed with Bovine Milk and Infant Goat Milk Formulas Mixed with Bovine Whey Powder by NIRS Fingerprints LINK

"Nondestructive Characterization of Citrus Fruit by near-Infrared Diffuse Reflectance Spectroscopy (NIRDRS) with Principal Component Analysis (PCA) and Fisher ..." LINK

"Near-Infrared Spectroscopy to Predict Provitamin A Carotenoids Content in Maize" LINK

"... in Cytochrome C Oxidase Redox State and Hemoglobin Concentration in Rat Brain During 810 nm Irradiation Measured by Broadband Near-Infrared Spectroscopy" LINK

"A stacked regression ensemble approach for the quantitative determination of biomass feedstock compositions using near infrared spectroscopy" LINK

"Prediction of maize flour adulteration in chickpea flour (besan) using near infrared spectroscopy" | LINK

"Country of origin label monitoring of musky and common octopuses (Eledone spp. and Octopus vulgaris) by means of a portable near-infrared spectroscopic device" LINK

"A Long Short-Term Memory Neural Network Based Simultaneous Quantitative Analysis of Multiple Tobacco Chemical Components by Near-Infrared" LINK

"Identification of human hair wigs and animal hair wigs by the method of near infrared spectroscopy modeling" LINK

"Real-time recognition of different imagined actions on the same side of a single limb based on the fNIRS correlation coefficient" | LINK

"EFFECT OF COW INDIVIDUALITY ON ACCURACY OF CALIBRATION MODELS USING NEAR-INFRARED SPECTROSCOPY FOR DETERMINING MILK ..." LINK

"Agronomy : Potential of NIRS Technology for the Determination of Cannabinoid Content in Industrial Hemp (Cannabis sativa L.)" LINK

"Polymers : Near-Infrared Light-Remote Localized Drug Delivery Systems Based on Zwitterionic Polymer Nanofibers for Combination Therapy" LINK

"Identification of geographical origin and different parts of Wolfiporia cocos from Yunnan in China using PLSDA and ResNet based on FTNIR" LINK

"Highly Efficient and Stable Near-Infrared Broadband Garnet Phosphor for Multifunctional Phosphor-Converted Light-Emitting Diodes" LINK

"Comparative Determination of Phenolic Compounds in Arabidopsis thaliana Leaf Powder under Distinct Stress Conditions Using FT-IR and FT-NIR Spectroscopy" LINK

"Application of near-infrared spectroscopy/artificial neural network to quantify glycosylated norisoprenoids in Tannat grapes" LINK




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

"Excessive Increase in the Optical Band Gap of NearInfrared Semiconductor Lead (II) Sulfide via the Incorporation of Amino Acids" LINK

"Analyzing the Water Confined in Hydrogel Using Near-Infrared Spectroscopy" LINK

"Rapid identification of the geographic origin of Taiping Houkui green tea using near‐infrared spectroscopy combined with a variable selection method" LINK

"Near-Infrared Spectroscopy to Predict Provitamin A Carotenoids Content in Maize" LINK




Hyperspectral Imaging (HSI)

"High-Quality Self-Supervised Snapshot Hyperspectral Imaging" LINK

"Non-destructive age estimation of biological fluid stains: An integrated analytical strategy based on near-infrared hyperspectral imaging and multivariate regression" LINK

"Foods : Identification of Moldy Peanuts under Different Varieties and Moisture Content Using Hyperspectral Imaging and Data Augmentation Technologies" LINK

"Remote Sensing : Wood Decay Detection in Norway Spruce Forests Based on Airborne Hyperspectral and ALS Data" LINK

"Hyperspectral imaging coupled with CNN: A powerful approach for quantitative identification of feather meal and fish by-product meal adulterated in marine fishmeal" LINK




Chemometrics and Machine Learning

"Angle Prediction of Lipid Rich and Calcified Plaque in Computed Tomography Angiography Images" LINK

"Classification of Waste Wood Categories According to the Best Reuse Using Ft-Nir Spectroscopy and Chemometrics" LINK

"Developing a generalized vis-NIR prediction model of soil moisture content using external parameter orthogonalization to reduce the effect of soil type" LINK

"Applied Sciences : A New CO2-EOR Methods Screening Model Based on Interdependency Parameters" LINK

"Insights on the role of chemometrics and vibrational spectroscopy in fruit metabolite analysis" | LINK

"Modeling method and miniaturized wavelength strategy for near-infrared spectroscopic discriminant analysis of soy sauce brand identification" LINK




Optics for Spectroscopy

"Chemical Interface Damping in Nonstoichiometric Semiconductor Plasmonic Nanocrystals: An Effect of the Surrounding Environment" LINK




Research on Spectroscopy

"Alternative Supervised Methods" LINK

"Supervised Methods" LINK




Equipment for Spectroscopy

"As the number falls, alternatives to the Hagberg-Perten falling number method: A review" LINK




Process Control and NIR Sensors

"Cognitive and linguistic dysfunction after thalamic stroke and recovery process: possible mechanism" | LINK

"Sensors : Applications of Online UV-Vis Spectrophotometer for Drinking Water Quality Monitoring and Process Control: A Review" LINK




Agriculture NIR-Spectroscopy Usage

"Foods : Analysis of Key Chemical Components in Aqueous Extract Sediments of Panax Ginseng at Different Ages" LINK

" AA′-Stacked Trilayer Hexagonal Boron Nitride" LINK

"Biomass and Plastic Co-Pyrolysis for Syngas Production: Characterisation of Celtis Mildbraedii Sawdust as a Potential Feedstock" LINK

"Estimation of forage quality by near infrared reflectance spectroscopy in dallisgrass, Paspalum dilatatum, poir" LINK

"Detection of Stored Grain Insect" LINK

"Estimation of crude protein and amino acid contents in whole, ground and defatted ground soybeans by different types of near-infrared (NIR) reflectance spectroscopy" LINK

"Molecules : The Potential Use of Herbal Fingerprints by Means of HPLC and TLC for Characterization and Identification of Herbal Extracts and the Distinction of Latvian Native Medicinal Plants" LINK

ZEUTEC presents a new generation of the SpectraAlyzer GRAIN – the SpectraAlyzer GRAIN NEO with new features, state-of-the-art design, better performance and with the aim of bringing a new perspective to grain testing. LINK

"Genetic variation for seed storage protein composition in rapeseed (Brassica napus) and development of near‐infrared reflectance spectroscopy calibration ..." LINK




Food & Feed Industry NIR Usage

"Effect of microbial community structures and metabolite profile on greenhouse gas emissions in rice varieties" LINK

"Quantitative assessment of wheat quality using near‐infrared spectroscopy: A comprehensive review" LINK




Pharma Industry NIR Usage

"Rapid Pentosan Polysulfate Sodium (PPS) Maculopathy Progression." LINK




Laboratory and NIR-Spectroscopy

"Multispectral Smartphone Camera Reveals Paintings’ Inner Secrets" LINK




Other

"Preparation of One-Dimensional Polyaniline Nanotubes as Anticorrosion Coatings" LINK

"Complex Block Structures; with Focus on LShape Relations" LINK

"D--A type conjugated indandione derivatives: ultrafast broadband nonlinear absorption responses and transient dynamics" | LINK

"Spectroscopic and optical investigations on Er3+ ions doped alkali cadmium phosphate glasses for laser applications" LINK

"Carbazole Isomerism in Helical Radical Cations: Spin Delocalization and SOMO-HOMO Level Inversion in the Diradical State" LINK





NIR Calibration-Model Services

Spettroscopia e Chemiometria Weekly News 24, 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)

"Nanoarchitectonics of Glass Coatings for Near-Infrared Shielding: From Solid-State Cluster-Based Niobium Chlorides to the Shaping of Nanocomposite Films" LINK

"Differentiation of Gelsemium elegans-containing toxic honeys and non-toxic honeys by near infrared spectroscopy combine with aquaphotomics" LINK

"Identification of geographical origin and different parts of Wolfiporia cocos from Yunnan in China using PLS-DA and ResNet based on FT-NIR" LINK

"Rapid Detection of Goat Milk Mixed with Bovine Milk and Infant Goat Milk Formulas Mixed with Bovine Whey Powder by NIRS Fingerprints LINK

"Nondestructive Characterization of Citrus Fruit by near-Infrared Diffuse Reflectance Spectroscopy (NIRDRS) with Principal Component Analysis (PCA) and Fisher ..." LINK

"Near-Infrared Spectroscopy to Predict Provitamin A Carotenoids Content in Maize" LINK

"... in Cytochrome C Oxidase Redox State and Hemoglobin Concentration in Rat Brain During 810 nm Irradiation Measured by Broadband Near-Infrared Spectroscopy" LINK

"A stacked regression ensemble approach for the quantitative determination of biomass feedstock compositions using near infrared spectroscopy" LINK

"Prediction of maize flour adulteration in chickpea flour (besan) using near infrared spectroscopy" | LINK

"Country of origin label monitoring of musky and common octopuses (Eledone spp. and Octopus vulgaris) by means of a portable near-infrared spectroscopic device" LINK

"A Long Short-Term Memory Neural Network Based Simultaneous Quantitative Analysis of Multiple Tobacco Chemical Components by Near-Infrared" LINK

"Identification of human hair wigs and animal hair wigs by the method of near infrared spectroscopy modeling" LINK

"Real-time recognition of different imagined actions on the same side of a single limb based on the fNIRS correlation coefficient" | LINK

"EFFECT OF COW INDIVIDUALITY ON ACCURACY OF CALIBRATION MODELS USING NEAR-INFRARED SPECTROSCOPY FOR DETERMINING MILK ..." LINK

"Agronomy : Potential of NIRS Technology for the Determination of Cannabinoid Content in Industrial Hemp (Cannabis sativa L.)" LINK

"Polymers : Near-Infrared Light-Remote Localized Drug Delivery Systems Based on Zwitterionic Polymer Nanofibers for Combination Therapy" LINK

"Identification of geographical origin and different parts of Wolfiporia cocos from Yunnan in China using PLSDA and ResNet based on FTNIR" LINK

"Highly Efficient and Stable Near-Infrared Broadband Garnet Phosphor for Multifunctional Phosphor-Converted Light-Emitting Diodes" LINK

"Comparative Determination of Phenolic Compounds in Arabidopsis thaliana Leaf Powder under Distinct Stress Conditions Using FT-IR and FT-NIR Spectroscopy" LINK

"Application of near-infrared spectroscopy/artificial neural network to quantify glycosylated norisoprenoids in Tannat grapes" LINK




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

"Excessive Increase in the Optical Band Gap of NearInfrared Semiconductor Lead (II) Sulfide via the Incorporation of Amino Acids" LINK

"Analyzing the Water Confined in Hydrogel Using Near-Infrared Spectroscopy" LINK

"Rapid identification of the geographic origin of Taiping Houkui green tea using near‐infrared spectroscopy combined with a variable selection method" LINK

"Near-Infrared Spectroscopy to Predict Provitamin A Carotenoids Content in Maize" LINK




Hyperspectral Imaging (HSI)

"High-Quality Self-Supervised Snapshot Hyperspectral Imaging" LINK

"Non-destructive age estimation of biological fluid stains: An integrated analytical strategy based on near-infrared hyperspectral imaging and multivariate regression" LINK

"Foods : Identification of Moldy Peanuts under Different Varieties and Moisture Content Using Hyperspectral Imaging and Data Augmentation Technologies" LINK

"Remote Sensing : Wood Decay Detection in Norway Spruce Forests Based on Airborne Hyperspectral and ALS Data" LINK

"Hyperspectral imaging coupled with CNN: A powerful approach for quantitative identification of feather meal and fish by-product meal adulterated in marine fishmeal" LINK




Chemometrics and Machine Learning

"Angle Prediction of Lipid Rich and Calcified Plaque in Computed Tomography Angiography Images" LINK

"Classification of Waste Wood Categories According to the Best Reuse Using Ft-Nir Spectroscopy and Chemometrics" LINK

"Developing a generalized vis-NIR prediction model of soil moisture content using external parameter orthogonalization to reduce the effect of soil type" LINK

"Applied Sciences : A New CO2-EOR Methods Screening Model Based on Interdependency Parameters" LINK

"Insights on the role of chemometrics and vibrational spectroscopy in fruit metabolite analysis" | LINK

"Modeling method and miniaturized wavelength strategy for near-infrared spectroscopic discriminant analysis of soy sauce brand identification" LINK




Optics for Spectroscopy

"Chemical Interface Damping in Nonstoichiometric Semiconductor Plasmonic Nanocrystals: An Effect of the Surrounding Environment" LINK




Research on Spectroscopy

"Alternative Supervised Methods" LINK

"Supervised Methods" LINK




Equipment for Spectroscopy

"As the number falls, alternatives to the Hagberg-Perten falling number method: A review" LINK




Process Control and NIR Sensors

"Cognitive and linguistic dysfunction after thalamic stroke and recovery process: possible mechanism" | LINK

"Sensors : Applications of Online UV-Vis Spectrophotometer for Drinking Water Quality Monitoring and Process Control: A Review" LINK




Agriculture NIR-Spectroscopy Usage

"Foods : Analysis of Key Chemical Components in Aqueous Extract Sediments of Panax Ginseng at Different Ages" LINK

" AA′-Stacked Trilayer Hexagonal Boron Nitride" LINK

"Biomass and Plastic Co-Pyrolysis for Syngas Production: Characterisation of Celtis Mildbraedii Sawdust as a Potential Feedstock" LINK

"Estimation of forage quality by near infrared reflectance spectroscopy in dallisgrass, Paspalum dilatatum, poir" LINK

"Detection of Stored Grain Insect" LINK

"Estimation of crude protein and amino acid contents in whole, ground and defatted ground soybeans by different types of near-infrared (NIR) reflectance spectroscopy" LINK

"Molecules : The Potential Use of Herbal Fingerprints by Means of HPLC and TLC for Characterization and Identification of Herbal Extracts and the Distinction of Latvian Native Medicinal Plants" LINK

ZEUTEC presents a new generation of the SpectraAlyzer GRAIN – the SpectraAlyzer GRAIN NEO with new features, state-of-the-art design, better performance and with the aim of bringing a new perspective to grain testing. LINK

"Genetic variation for seed storage protein composition in rapeseed (Brassica napus) and development of near‐infrared reflectance spectroscopy calibration ..." LINK




Food & Feed Industry NIR Usage

"Effect of microbial community structures and metabolite profile on greenhouse gas emissions in rice varieties" LINK

"Quantitative assessment of wheat quality using near‐infrared spectroscopy: A comprehensive review" LINK




Pharma Industry NIR Usage

"Rapid Pentosan Polysulfate Sodium (PPS) Maculopathy Progression." LINK




Laboratory and NIR-Spectroscopy

"Multispectral Smartphone Camera Reveals Paintings’ Inner Secrets" LINK




Other

"Preparation of One-Dimensional Polyaniline Nanotubes as Anticorrosion Coatings" LINK

"Complex Block Structures; with Focus on LShape Relations" LINK

"D--A type conjugated indandione derivatives: ultrafast broadband nonlinear absorption responses and transient dynamics" | LINK

"Spectroscopic and optical investigations on Er3+ ions doped alkali cadmium phosphate glasses for laser applications" LINK

"Carbazole Isomerism in Helical Radical Cations: Spin Delocalization and SOMO-HOMO Level Inversion in the Diradical State" LINK





Digitization in the field of NIR spectroscopy (smart sensors) / Digitalisierung im Bereich der NIR-Spektroskopie / Digitalizzazione nel campo della spettroscopia NIR (sensori intelligenti)

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


Die Digitalisierung schreitet voran, so auch in der NIR-Spektroskopie, die trainierbare miniatur Smart-Sensors ermöglicht z.B. für Analysen im Bereich Food&Feed, Chemie und Pharma.

Die Kalibration ist das Kernstück eines NIR-Spektroskopie Sensors, sie ermöglicht die zahlreichen Applikationen und sollte darum nicht das schwächste Glied in der Messkette sein.

Das Entwickeln von Kalibrationen die NIR-Spektrometer zu Smart-Sensoren macht, wird bis an hin von Experten (NIR-Spezialist, Chemometriker, Data Scientist) manuell gemacht mit sogenannter Chemometrie Software.

Das ist sehr zeitintensiv (Time to Market) und das Ergebnis ist personenabhängig und somit suboptimal, denn jeder Experte hat seine eigene bevorzugte Weise wie er vorgeht.
Dazu kommt, dass die Kalibrationen gewartet werden müssen, da in der Zwischenzeit neue Daten gesammelt wurden, die zur Erweiterung und Verbesserung der Kalibrationen genutzt werden kann.

Hier setzt unser automatisierter Service an, der das Wissen und Good-Practices der NIR-Spektroskopie und Chemometrie gesammelt in einer Software vereint und mittels Machine-Learning optimale Kalibrationen erzeugt.

Wir haben darauf aufbauend eine komplette Technologie-Plattform entwickelt (Time to Market), die den ganzen Ablauf vom Senden der NIR + Lab Daten, zu NIR-Kalibration as a Service, vom Online-Kauf der Kalibrationen, bis hin zur NIR-Predictor Software die neu gemessene NIR Daten direkt lokal auswertet und Ergebnis Reports erstellt.

Nebst der freien Desktop Variante mit User Interface kann der NIR-Predictor auch integriert werden (OEM). Das kann parallel als Ergänzung zu ihrem jetzigen Predictor integriert werden und so dem Anwender die Wahl ermöglichen, wie er Kalibrieren möchte.
Und ihnen so den Vorteil verschaffen, bei NIR Feasibility Studies und NIR-Spektrometer Evaluationen, dem Kunden rasch eine solide und genaue Kalibration bereitzustellen, die ihr NIR System bessere Ergebnisse liefern lässt.

Vorteile für ihre NIR-Anwender (intern oder extern)

  • keine Initial-Kosten (keine Chemometrie Software Lizenz nötig),
  • kalkulierbare Betriebs Kosten (fix Betrag statt nach Aufwand und Stundensatz) (Kalibrationsentwicklung, Kalibrations-Pflege)
  • einfach Anwendbar (keine Chemometrie- und Software-Trainings),
  • schneller Einsatzbereit (keine Kalibrations-Entwicklungs Arbeit) und
  • bessere Kalibrationen (precision, accuracy, robustness, …)

Unsere kostenpflichtige Serviceleistung beruht auf der Kalibrationsentwicklung und der jährlichen Kalibrationsnutzung.
Dabei kann die Kalibrationsentwicklung und Kalibrationsnutzung auch getrennt voneinander (Hersteller / User) erfolgen.

Für Sie als Spektrometer Hersteller kommt so die Möglichkeit hinzu, dass Sie für bestimmte Applikationen ihr System Vorkalibriert ausliefern können, ohne dass Software-Lizenz-Kosten fällig werden. Und ohne dass ihre Applikations-Spezialisten zusätzliche Kalibrationsleistung erbringen müssen.

Die einzigartigen Vorteile unseres Calibrations-Service zusammen mit dem free NIR-Predictor sind:

  • keine Software Lizenz Kosten (Chemometrie Software, Predictor Software, OEM integration)
  • kein Chemometrie Know-How nötig
  • kein Zeitaufwand nötig um optimale NIR-Kalibrationen zu entwickeln.

Bei Interesse zur Nutzung/Evaluation des Services :

Über CalibrationModel.com : Zeit- und Wissens-intensive Erstellung und Optimierung von chemometrischen Auswertemethoden für Spektrometer als Service, um präzisere Analysen- und Messergebnisse zu ermöglichen.

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


La digitalizzazione sta progredendo, anche nella spettroscopia NIR, che consente l'uso di sensori intelligenti in miniatura addestrabili, ad esempio per analisi nei settori alimentare e dei mangimi, chimico e farmaceutico.

La calibrazione è il cuore di un sensore di spettroscopia NIR, consente le numerose applicazioni e non dovrebbe quindi essere l'anello più debole della catena di misura.

Lo sviluppo delle calibrazioni che trasformano gli spettrometri NIR in sensori intelligenti viene effettuato manualmente da esperti (specialista NIR, chemiometrista, scienziato dei dati) con il cosiddetto software di chemiometria.

Ciò richiede molto tempo (time to market) e il risultato dipende dalla persona ed è quindi subottimale, perché ogni esperto ha il suo modo di procedere preferito.
Inoltre, le calibrazioni devono essere mantenute, poiché nel frattempo sono stati raccolti nuovi dati che possono essere utilizzati per ampliare e migliorare le calibrazioni.

Qui entra in gioco il nostro servizio automatizzato, che combina le conoscenze e le buone pratiche della spettroscopia NIR e della chemiometria in un unico software e genera calibrazioni ottimali mediante l'apprendimento automatico.

Su questa base, abbiamo sviluppato una piattaforma tecnologica completa (Time to Market), che copre l'intero processo dall'invio dei dati NIR + Lab, alla calibrazione NIR come servizio, dall'acquisto online delle calibrazioni, al software NIR Predictor, che valuta direttamente i dati NIR appena misurati a livello locale e genera rapporti sui risultati.

Oltre alla versione desktop gratuita con interfaccia utente, il NIR Predictor può essere integrato (OEM). Questo può essere integrato in parallelo come complemento al vostro Predictor attuale, permettendo all'utente di scegliere come vuole calibrare.
Questo vi offre il vantaggio negli studi di fattibilità NIR e nelle valutazioni degli spettrometri NIR per fornire rapidamente al cliente una calibrazione solida e accurata che farà sì che il vostro sistema NIR fornisca risultati migliori.

Vantaggi per i vostri utenti NIR (interni o esterni)

  • nessun costo iniziale (non è necessaria la licenza del software di chemiometria),
  • costi operativi calcolabili (importo fisso anziché tariffa oraria) (sviluppo della taratura, manutenzione della taratura)
  • facile da usare (nessuna chemiometria e formazione software),
  • più veloce da usare (nessun lavoro di sviluppo di calibrazione) e
  • calibrazioni migliori (precisione, accuratezza, robustezza, ...)

Il nostro servizio a pagamento si basa sullo sviluppo della taratura e sull'utilizzo annuale della taratura.
Lo sviluppo della taratura e l'uso della taratura possono essere effettuati anche separatamente (produttore/utente).

Per voi, in qualità di produttori di spettrometri, ciò significa che potete fornire il vostro sistema pre-calibrato per determinate applicazioni senza incorrere in costi di licenza del software. E senza che i vostri specialisti delle applicazioni debbano fornire ulteriori servizi di taratura.

I vantaggi unici del nostro servizio di calibrazione insieme al predittore NIR Predictor gratuito sono:

  • nessun costo di licenza software (software di chemiometria, software di previsione, integrazione OEM)
  • non è necessario alcun know-how in chemiometria
  • non c'è bisogno di tempo per sviluppare calibrazioni NIR ottimali.

Se interessati all'uso/valutazione del servizio :

Informazioni su CalibrationModel.com : Creazione e ottimizzazione dei metodi di valutazione chemiometrica per gli spettrometri come servizio per consentire analisi e risultati di misura più precisi.

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

NIR Calibration Service explained

Our Service is different

  • We build the optimal quantitative prediction models for your NIR analytical needs (No need for mathematical/statistical model building software usage at your site).
  • The NIR-Predictor software and the calibration models are at your site. No internet connection needed to our service. You can do unlimited predictions, that allows fast measurement cycles with no extra cost (Not payed per prediction).
  • You own your NIR + Lab data and the calibrations. You can have access to the detailed Calibration Report with all the settings and statistics (No Black-Box Models).

Get NIR Calibrations

Get NIR Calibrations - Workflow

Your 4 steps to the applicable NIR calibration:

  1. Download free NIR-Predictor here
  2. Combine your NIR-Spectra with Lab-Reference values, see Video for 2. and 3.
    (manual)

  3. Create a Calibration Request and sent it to info@CalibrationModel.com (CM)
  4. After processing you will get a link to the Web Shop to download the calibrations.

Use NIR Calibrations

Use NIR Calibrations Workflow



see more Videos

In other words

Calibration Model simplifies the process of training machine learning models for NIRS data
while providing an opportunity to trying different algorithms and applied near-infrared spectroscopy (NIRS) knowledge.
It’s more than an AutoML platform, it’s a full service where you can download the optimal model and its describing Calibration Report
that provide insights into the data preparation, feature engineering, model training, and hyperparameter tuning.

Start Calibrate


Unser Service ist anders

  • Wir erstellen die optimalen quantitativen Vorhersagemodelle für Ihre NIR-Analysebedürfnisse (kein Bedarf an mathematisch/statistischer Modellbildungssoftware an Ihrem Standort).
  • Die NIR-Predictor-Software und die Kalibrierungsmodelle sind bei Ihnen vor Ort. Für unseren Service ist keine Internetverbindung erforderlich. Sie können unbegrenzt Vorhersagen machen, die schnelle Messzyklen ohne zusätzliche Kosten ermöglichen (Nicht pro Vorhersage bezahlt).
  • Sie besitzen Ihre NIR + Lab Daten und die Kalibrierungen. Sie können auf den detaillierten Kalibrierbericht mit allen Einstellungen und Statistiken zugreifen (keine Black-Box-Modelle).

NIR-Kalibrierungen erhalten

Workflow für NIR-Kalibrierungen

Ihre 4 Schritte zur anwendbaren NIR Kalibrierung:

  1. Download kostenloser NIR-Prädiktor hier
  2. Kombiniere deine NIR-Spektren mit Labor-Referenzwerten, siehe Video für 2. und 3.
    (Handbuch)

  3. Erstellen Sie eine Kalibrierungsanfrage und senden Sie sie an info@CalibrationModel.com (CM)
  4. Nach der Bearbeitung erhalten Sie einen Link zum Web Shop zum Herunterladen der Kalibrierungen.

NIR-Kalibrierungen verwenden

NIR-Kalibrierungs-Workflow verwenden



weitere Videos ansehen

Mit anderen Worten

Calibration Model vereinfacht den Prozess des Trainings von maschinellen Lernmodellen für NIRS-Daten
und bietet gleichzeitig die Möglichkeit, verschiedene Algorithmen und angewandtes Wissen aus der Nahinfrarotspektroskopie (NIRS) auszuprobieren.
Es ist mehr als nur eine AutoML-Plattform, es ist ein umfassender Service, bei dem Sie das optimale Modell und seinen beschreibenden Kalibrierungsbericht herunterladen können,
die Einblicke in die Datenaufbereitung, Feature-Engineering, Modelltraining und Hyperparameter-Tuning geben.

NIR Kalibrierung Starten


Cost comparison / Price comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy – Kostenvergleich / Preisvergleich von Chemometrie / Maschinelles Lernen / Data Science für die NIR-Spektroskopie – Confronto dei costi / Confronto dei prezzi della chemiometria / Apprendimento automatico / Scienza dei dati per la spettroscopia NIR

Reduce Operating Costs and Total Cost of Ownership (TCO) of NIR-Spectroscopy (NIRS) in the Digitalization Age.

NIR-Spectroscopy (NIRS) - Reduce cost, Increase revenue

Reduce Cost by automated NIR development.
Increase Revenue by higher accuracy NIR results.

CalibrationModel.com (CM) versus Others

Costs are not everything, there are other important factors listed in the table.

CM fix € pricing (approx.)Others € Price Range (approx.)
Software
included
Chemometric Packagenot‑needed
€3500 - €6500 per user
Chemometric Predictor
free‑software
€1500 - €2500 per NIR device
Knowledge
included
Chemometric Trainingnot‑needed
€1500 - €2500 per user
Chemometrician* Salarynot‑needed
1 years Salary / year
(+ risk of Employee Turnover)
Computation
included
Powerful Computer (many Processors, lot of RAM for big data)not‑needed
€1500 - €4500 per computer
Development and Usage
Development of a Calibration
€128
€80 - €150 / hour

of Chemometrician* using a Chemometric Software (click and wait) and applying it's knowledge

Usage of a Calibration
€60 / year
Total€178 in first year
€60 in second year
initial (min €8000 , max €15500)
+ 2 * (2 - 4)(hour to cost same! as CM service) * (€80 - €150) Chemometrician* work
no initial cost
very high initial costs
no personnel cost
high personnel* costs
constant CM services
risk of Employee Turnover
global knowledge
risk of only use personal knowledge
easy to calculate fix cost on demand
difficult to calculate variable cost on demand plus Chemometrician* Recruitment needed
Results :
calibration prediction performance
always reproducible highly optimized
only as good as your Chemometrician* daily condition
better prediction performance, due to best-of 10'000x calibrations
small size of experiments, non-optimal calibrations

See also:
pricing

Start Calibrate

*) Personnel / Chemometrician / Data Scientist / Data Analyst / Machine Learning Engineer :
We are not against it, we are one of them a long time ago, but the way the work is done is changing (see below).

2019 Digitalization and the Future of Work: Macroeconomic Consequences

2019 The Digitalization of the American Workforce

2017 Digitalization and the American workforce , full-report



NIR-Predictor – Manual


NIR-Predictor – Manual

Predicting Spectra

It’s easy to use with NIR-Predictor,
just drag & drop your data for getting the prediction results.

It supports an automatic file format detection.
So you don’t need to specify the instrument type and settings! See the list of supported formats and NIR Vendors: NIR-Predictor supported Spectral Data File Formats

Use the included data to checkout how it feels:

  1. Open the demo Spectra folder by using the Menu > Open Demo Spectra or press F8.
    There are files with spectra from different Vendors.
  2. Drag & drop a spectra file onto the NIR-Predictor window (or press Ctrl+O as for ’Open some files).
  3. The spectra will be
    • loaded
    • pre-processed
    • predicted and
    • reported

Note:
All the steps are fully automatic.
All calibrations that are compatible with the spectra, will produce prediction results in one go.
To select specific calibrations choose the Application. Where the ” ” empty means use all the calibrations.
To define a Application read more in chapter “Applications”

Hint:
To get access to Statistics of Predictions and Reports use the Menu > Show more/less (Ctrl+M) or you can simply resize the window. Here you can also re-do the Analyze step manually with changed inputs (e.g. Result Ordering).


Creating your own Calibrations

How it works – step by step

  1. You have measured your samples with you NIR-Instrument Software.
    And got the Lab-values of these samples.

    samples
    -> measured NIR-spectra
    -> Lab-references analytics

  2. Now you need to combine these data.

    NIR-spectra + Lab-references
    -> PropertiesBySamples

    Note: If you combined these data already in your NIR software used,
    and you can export it as a JCAMP-DX file then use
    Menu > Create Request File .req ... (F2)
    and read the “Help.html” and NIR-Predictor JCAMP.
    Else proceed as below.

    The NIR-Predictor provides tooling for that:

    Menu > Create Properties File... (F6)

    Select the folder with your NIR spectra measured for an application.
    NIR-Predictor creates a customized Properties file template for that data to enter the Lab values.

    Note: You don’t need to specify your instrument or vendor or an application. It’s all done automatically. And also the sample spectra are detected and grouped automatically!

  3. Use your favorite editor or spreadsheet program to enter and copy&paste
    the Lab-references Values into the columns “Prop1”, “Prop2” etc. and save the file.
  4. A final check of your entered data is done by NIR-Predictor,
    to make sure your data ist complete and all is fine.

    Menu > Create Calibration Request... (F7)

    Select the folder with the filled file.
    A CalibrationRequest.zip is created with the necessary data
    if enougth diverse Lab values are entered.

  5. Email the CalibrationRequest.zip file
    to info@CalibrationModel.com to develop the calibrations.
  6. When your calibrations are ready, you will receive an email with a link
    to the CalibrationModel WebShop where
    you can purchase and download the calibration files,
    that work with our free NIR-Predictor software without internet access.

    Note: Your sent NIR data is deleted after processing.
    We do not collect your NIR data!

Note: Further details can be found under “Create Properties File” and “Create Calibration Request”.


Configure the Calibrations for prediction usage

Configuration:

  1. in NIR-Predictor : Menu > Open Calibrations (F9)
  2. an explorer window is opened where the calibrations are located
  3. create a folder for your application, choose a name
  4. copy the calibration file(s) (*.cm) into that folder
  5. in NIR-Predictor : Menu > Search and load Applications (F4)

Usage:

  1. in NIR-Predictor : open the Application drop down list, and select your application by name
  2. if all is fine, the calibration file is valid and not expired, it shows : Calibration “1 valid calibation”
  3. the NIR-Predictor is now ready to predict
  4. to switch the application, goto 6.

Applications

The Application concept allows to group multiple Calibrations together for an Application. By selecting an Application before prediction, only the Calibrations belonging to the Application will be used for Prediction. In the Demo Data this is used to have multiple spectrometer as Application. This can be used easily as e.g. as Application “Meat Products” containing Fat and Moisture Calibration.

To create an Application, create a folder with the Application’s name inside the Calibrations folder, and move/copy all the Calibrations files to this Application folder. To remove a Calibration from the Application, remove the Calibration file from the Application folder.

After creating an new Application folder, press menu Search and load Applications (F4) to update the NIR-Predictor dialog where the Application can be selected via the dropdown list. You don’t need to close the NIR-Predictor.

After moving Calibration files around, press menu Search and load Calibrations (F5) to update the NIR-Predictor dialog.

The use-all case

In the NIR-Predictor dialog where the Application can be selected via the dropdown list, the empty "" name means that all (yes all) valid Calibrations will be used for prediction.

Note: The Prediction Report will contain only results from spectral compatible Calibrations with the given spectra. That allows to automatically handle the multi vendor NIR instrument usage.


Prediction Result Report

Histograms of Prediction Values per Property

Shows the distribution of the predicted results per calibration. The histogram range contains the range of the calibrated property and includes the predicted results.

The histogram bar (bin) color is defined as follow:

  • blue : all predictions inside calibration range.
  • red : all predictions outside calibration range.
  • orange : some overlaps with calibration range.
    So not all spectra in a orange bin are outside calibration range.
Histograms

Note: Predicted values are always shown in Histogram table and Prediction Value List table, even if the spectrum does not fit into model (spectrum different to model, aka Residual Outlier) shown as Out = X.

Note: Old browsers like Microsoft Internet Explorer 11 don’t support the grafics for Histogram charts. Use an current browser like Firefox or Chrome or Edge.

Note: If your browser opens the report too slow, try to deactivate some browser plugins, because they can filter what you look at and some add-ons are really slow.

Spectra Plot Thumbnail on the Prediction Report

Visualizes the min,median,max spectrum of the spectra dropped as files on the NIR-Predictor. This gives a minimal and good spectral overview of the predicted property results.

  • Spectra Plot color legend: min,median,max spectrum by predicted property or if no calibration is available by spectral intensity.
  • The min,median,max is determined from the predicted properties or if not available from the intensity of the spectra.
  • Beside the histogram of the predicted properties, where the distribution can be seen, the spectra shown are the ones from min,median,max predicted property.
  • This gives a minimal and good spectral overview of the predicted property results.
  • The “Spectral Range” and number of datapoints is shown in the Prediction Report Header below the listed spectra files.
  • To zoom the spectra plot a little, zoom the report in the browser (hold ctrl + mouse wheel, or pinch on touch screen).
  • The spectra plots and histograms are stored with the report and can be archived.

Note

  • Note that the spectra are shown in the raw values that are loaded, they are not shown pre-processed as the calibration model uses them to make the prediction.
  • Note that the median property spectrum is the median from the predicted property pobulation and not the “median” of the calibration property range.
  • Note that in the multi calibration prediction case, the spectra are selected for each property based on the related predicted property values and so the spectra plots shows typical different spectra.
Spectra Plot

Outlier Detection

To safeguard the prediction results, outliers are automatically checked for each individual prediction. This is based on limits that are determined when creating the calibration with the base data. Thus, a strange spectral measurement can be detected and signaled as an outlier even without base data only by means of the calibration and the NIR predictor. A prediction result with outlier warning is to be distrusted. How the various outlier tests are interpreted and how to avoid them in practice is described here.

The spectrum is an outlier to the model, if the spectrum is not similar with the spectra and lab-values the model is built with.

This legend is shown on each NIR-Predictor prediction report below the results:

Outlier (Out) Symbol Description

  • “X” : spectrum does not fit into model (spectrum different to model)
  • “O” : spectrum is wide outside model center (spectrum similar to model but far away)
  • “=” : prediction is outside upper or lower range of model (property outside model range)
  • “-” : spectrum is incompatible to calibration

Note: A prediction result with outlier warning is to be distrusted.

There are 3 outlier cases (X, O, =) and the incompatible data case “-”.

  • The bad case is “X”
  • the medium case is “O”
  • and the soft case is “=”.

The technical names in literature correspond to:

  • “X” : Spectral Residual Outlier
  • “O” : Leverage Outlier
  • “=” : Property Range Outlier

These 3 outlier cases can appear in combinations, like “XO=” or “XO” or “O=” or “X=”. The more outlier marker are shown the more likely the spectrum is an Outlier.

The default setting in NIR-Predictor Menu > “Report with Simplified Outlier Symbols”

  • is ON, that will show only the worst case instead of all combinations to have a simplified minimal information.
  • if OFF, that will show the combinations (e.g. “XO=” or “XO” or “O=” or “X=”), which is more informative for analyzing problem cases.

Some hints to avoid these Outliers:

  • “X” : spectrum does not fit into model (spectrum different to model)
    Check if the spectrum is noise only, or has no proper signal. That can happen when measured past the sample or measured into the air or at a different substance. If you have multiple NIR instruments of the same type, use spectra measured with different instruments for the calibration.
  • “O” : spectrum is wide outside model center (spectrum similar to model but far away) Sample temperature has an effect on NIR spectra shape, use spectra measured at different (typical use) temperatures (sample temperature, instrument temperature).
  • “=” : prediction is outside upper or lower range of model (property outside model range)
    Use more spectra for the calibration in the Lab value region where your special interest is. If the predicted value is only a little bit out of the calibration range, it can be Ok. Add these spectra to the calibration spectra (with the Lab values), to extend the prediction range of the calibration.
  • “-” : spectrum is incompatible to calibration
    The spectra (from the NIR instrument) has a different wavelength range or a different resolution than the spectra used for calibration. Check Instrument settings (wavelength range, resolution)

Result Ordering

To change the ordering, a drop-down-box is located below the Analyze button. If there is an analysis from the current session, and the Result Ordering is changed, the data is re-Analyzed and reported with the new Result Ordering setting. That allows to compare the different orderings. The Result Ordering is listed in the Prediction Report above the Prediction Value List and stored in the settings.

The order/sorting of the prediction results of the spectra can be defined:

  • GivenOrder (default) the given order of the spectra from file select dialog or drag&drop

*) sorted : ascending sort

  • Date_Name sorted by Date (if any) and then by Name
  • Name_Date sorted by Name and then by Date
  • Date_NamesWithNumbers sorted by Date (if any) and then by Name with number logic
  • NamesWithNumbers_Date sorted by Name with number logic (e.g. “ABC1” is before “ABC002” ) and then by Date

*) as above but sorted Rev : reverse sort = descending sort

  • Rev_Date_Name
  • Rev_Name_Date
  • Rev_Date_NamesWithNumbers
  • Rev_NamesWithNumbers_Date

E.g. with reverse sort by Rev_Date_Name, the newest spectra appear on top.

Depending on how many calibrations are used the result table is getting broader. To print the report (e.g. to Adobe PDF, FreePDF or Microsoft XPS), sometimes the landscape format is shorter in number of pages or in portrait a scale of 80% fits nicely. Or try another internet browser (Mozilla Firefox, Google Chrome, Microsoft Edge, …) to print the report and set the browser as your default browser so it will be opened by default.

Archiving Reports

Each report is contained in one file only, including the grafics. To save storage space the report file folder can be compressed to a zip file (.zip, .7z).


Enter lab values to NIR spectra

Entering the laboratory reference values for NIR calibrations

We have developed specialized tools into NIR-Predictor to combine the NIR and Lab data is a sample-based safe manner.

The main target is to improve Data Quality during the step of combining of the Lab data and the NIR data, because to model a good reliable calibration the data that build the base needs to be of high quality.

It also simplifies to enter the lab values manually to the corresponding NIR data, because of automatically grouping repeated NIR measurements of the same sample, so the lab values can be entered sample based and not by spectrum.

It helps to avoid false reference data, because of the broken relation of NIR spectra and reference values, data entry on the wrong position in the table.

And Helps to detect errors of duplicated or multiple copies of spectra files, and checks for inconsistencies in Date-Time and Sample-Naming. It also checks for missing values.

That all increases the Data Quality for the next step of Calibration Development, and makes data entry a less time consuming and less risky work.

How it works

  1. Menu > Create Properties File... (F6) select the folder with your NIR spectra measured for an application. NIR-Predictor creates a Properties file template for that data : PropertiesBySamples.csv.txt
  2. Use your favorite editor or spreadsheet program to enter and copy&paste the Lab Values into the columns and save the file.
  3. Menu > Create Calibration Request... (F7) select the folder with the filled file for a last check and a Calibration Request file is created with the needed data as a single zip file.
  4. Email the Calibration Request file to info@CalibrationModel.com to develop the calibrations.

Ok that is it, the NIR-Predictor guides you through the steps needed. And if you need to know more details, the Chapter “Create Properties File” is for you.

Create Properties File

Note:

  • If you have (exported) JCAMP-DX files containing the Lab-Values, you don’t need to do this step.
    You can send the JCAMP file with your Request (.req) file directly to the calibration service at info@CalibrationModel.com.
  • If your JCAMP-DX files does NOT contain Lab-Values, this is a way to go.

For calibrating the spectra to the lab-values you need to assign the lab-values to the spectra. The easiest way is to have a table where each spectrum (row) is linked to multiple lab-values (columns). This function Create Properties File build such a table for the selected spectra folder automatically!

This table is stored in the file PropertiesBySamples.csv.txt. This can be created for any spectra folder you like. The file extension is .csv.txt to make it easy to edit in a text editor and also in a spreadsheet (excel). The columns are standard TAB separated.

The file header line contains :

Sample Replicates Names Prop1 Prop2 Prop3 DateFirst DateLast Hashes

Where Name and Date describes the spectrum.

Prop1, Prop2, Prop3 are the place to enter the Lab Reference Concentrations properties corresponding to each spectrum. It can be extended to Prop4, Prop5, … etc. Of course you can enter real word names like “Fat (%)” instead of “Prop1”. It’s recommended to put the measurement unit beside the name.

Replicates is the number of replicated or repeated spectra of a sample that is grouped together in the Sample based property file. Sample name and the DateFirst / DateLast between the sample spectra are measured.

Date format is ISO-8601. Missing Dates are 0002-02-02T00:00:00.0000000.

If the file PropertiesBySamples.csv.txt already exist in the selected folder, the user will be notified (it will not be overwritten, because the file may contain user entered Lab-values). The Lab Reference Concentrations values are initialized to 0 (zero) and needed to be changed.

Note: 0 is not interpreted as missing value! If you have a 0 concentration value, put in 0 or 0.0 .

The entry of properties is as easy as possible, because it’s organized by Sample (and not by Spectra), so it’s like your Lab-Value Table that is sample based. The sample rows are sorted in a special way by Sample name. Sorting by Date or alphabetically by Sample can done easily in a spreadsheet program.

Note: when coping lab values to the samples make sure they correspond, so that there are no gaps and the sorting is the same.

The Spectra (rows) are initially sorted by name (and date) to have the replicates/repeats together. You can sort for your convenience in a spreadsheet program.

Enter the Lab Reference Concentrations to the spectra/sample.

Enter the Lab-Values in spreadsheet (e.g. Excel) or a text editor (e.g. Notepad++). If done, use the next menu Create Calibration Request.

Hints: Data handling:

  • The NIR-Predictor creates the PropertiesBySamples.csv.txt once, after that the user is responsible for its content. That means NIR-Predictor does not change this file anymore.
  • You can remove entire rows (spectra) in the property file. You don’t need to remove the spectra files. The NIR-Predictor is aware of the relation, the PropertiesBySamples.csv.txt defines what will be calibrated.
  • How to add more spectra files?

    The additional spectra can be handled in a separate folder, create the property file and copy the spectra to the other folder and copy/merge the property files together in your editor or spreadsheet.

    Or

    Copy the spectra into the folder, rename the PropertiesBySamples.csv.txt to e.g. “PropertiesBySamples-Part1.csv.txt” and use Create Properties File to create a new PropertiesBySamples.csv.txt with all the spectra. You can copy/merge the content of the Properties files together in your editor or spreadsheet.

  • What happens with possible duplicate rows? It does no harm to the Calibration because we do an exact checking and data cleaning in the calibration process.
  • What happens to duplicate spectra names? The spectra names are not relevant for the calibration process. The spectra names are helpful to assign the lab-values to the corresponding spectrum entry. That’s why the table is initially sorted by name. The spectra names can be edited by the user.

Create Calibration Request

The menu function Create Calibration Request packs a created Properties file (see “Create Properties File”) and it’s linked spectra files in a compressed ZIP file for sending to the CalibrationModel.com Service.

Please note that the number of measured quantitative samples need to be at least 60 . That means you need at least 60 different spectra (not counting the replicate/repeated measurements).

It shows additional property information about the data you have entered, like – the property type (Quantitative) – it’s range (min – max) and – the number of unique values and – if the Lab-values are enough diverse to get calibrated.

First select the folder with the PropertiesBySamples.csv.txt and measured spectra files of samples you have Lab-values. The data is checked and you get notified what is missing or might be wrong. If something needs to be changed, edit the PropertiesBySamples.csv.txt and do Create Calibration Request again. Your last selected folder is remembered, so you can press return in the folder selection dialog.

Hint: The keyboard shortcuts for redoing it after you edited some entries is : F7 Return – that allows you to get the property information quickly.

Hint: If you open the PropertiesBySamples.csv.txt in a spreadsheet program, you can create Histogram plots of the entered Lab-values, to see in which range are to less samples measurements.

When all is fine

When all is fine the “CalibrationRequest.zip” file is created for that data.

The ZIP file contains:

  • your PropertiesBySamples.csv.txt
  • your personal REQuest file for your computer system, that looks like
    e.g. “337dcdc06b2d6dfb0b5c4bba578642312edf2ae84d909281624d7e26283e8b07 WIN-GB0PB48GSK4.req”
  • the spectra data files

Note: If the CalibrationRequest.zip file is already created and you change the PropertiesBySamples.csv.txt make sure to delete the old CalibrationRequest.zip file first! In the dialog it states if it was successfully created or NOT because it already exist. So you are always on the safe side.

Note: CalibrationRequest.zip file name contains the property names to know what would be calibrated and at the end an identification number for referencing the file. E.g. “CalibrationRequest ‘Prop1’ – ‘Prop2’ h31T3wOH.zip”


Program Settings

  • The users program settings are stored in UserSettings.json
  • The program counters are stored in GlobalCounters.json

Further References

Spectroscopy and Chemometrics News Weekly #30, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #30, 2019Spettroscopia e Chemiometria Weekly News #30, 2019

CalibrationModel.com

Are you a Analytical Spectroscopist using NearInfraRed (NIR)? This is for you | QA QC Food Feed Lab Biotech LINK

Spectroscopy and Chemometrics News Weekly 29, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 29, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodels LINK

This week's NIR news Weekly is sponsored by Your NIR-Company-Name Here - Best-NIR-instruments. Check out their product page ... link




Chemometrics

"Study on the Relationship Model between Drying Time and Moisture Content of Coco-peat" LINK

"Combining attenuated total reflectance- infrared spectroscopy and chemometrics for the identification and the dosage estimation of MDMA tablets" LINK

Raman spectroscopy and chemometrics: A potential universal method for ... LINK

"AUTOMATIC PREDICTION OF LEAVE CHEMICAL COMPOSITIONS BASED ON NIR SPECTROSCOPY WITH MACHINE LEARNING" LINK




Near Infrared

In Press: High prevalence of cholesterol-rich atherosclerotic lesions in ancient mummies: A near-infrared spectroscopy study. LINK

"Maintaining the predictive abilities of tea moisture content models on different environment based on Visible and Near-Infrared spectroscopy technique" LINK

"Classification of commercial charcoal for domestic use by near infrared spectroscopy" LINK

"Fast determination of oxides content in cement raw meal using NIR-spectroscopy and backward interval PLS with genetic algorithm" LINK

"Prediction of Soil Lead Content Using Visible and Near-Infrared Spectroscopy" LINK

"Cultivar Classification of Single Sweet Corn Seed Using Fourier Transform Near-Infrared Spectroscopy Combined with Discriminant Analysis" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts" FTNIR LINK

"Prediction of soluble solid content, vitamin C, total acid and firmness in astringent persimmon (Diospyros kaki L.) cv. Rendeu using NIR spectroscopy" LINK

Near-infrared spectroscopy, has detected cholesterol-rich plaques in arterial samples in ancient mummies.These earlier-stage lesions from different geographical areas, suggests atherosclerosis has been present in humans since ancient times.| ☆ LINK

Karl Norris: Father of NIR Spectroscopy. We are sad to announce that Karl Norris passed away peacefully on 17 July 2019 at the age of 98. Nearinfrared LINK

"Pengembangan Model Jaringan Syaraf Tiruan untuk Penentuan Kandungan Kimia Biji Kopi Arabika Gayo dengan NIRS" LINK




Infrared

"Pharmaceutical formulation analysis of a gelatin-based soft capsule film sheet containing phytic acid using near-infrared spectroscopy" LINK

"Non-destructive testing technology of sugar content in Huapi kumquat by near infrared spectroscopy." LINK

"Determination of the Lignocellulosic Components of Olive Tree Pruning Biomass by Near Infrared Spectroscopy" LINK

"The quantitative detection of botanical impurities contained in seed cotton with near infrared spectroscopy method" LINK




Process Control

"Controlling Moisture Content of Natural Fibres in RTM-Process" LINK




Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers" LINK




Food & Feed

"Rapid fraud detection of cocoa powder with carob flour using near infrared spectroscopy" LINK

"A Novel Approach to Measure the Total Antioxidant Power of Wines through Near Infrared Spectroscopy and Its Relevance in Human Nutrition" LINK




Other

"Investigation on optical and mechanical properties of an organic single crystal: Guanidinium 4-aminobenzene sulfonate" LINK

"Microsoft to invest $1 billion in OpenAI" LINK

"[ZITATION][C] Research of Portable Tea Polyphenols Detector" LINK





CalibrationModel.com

Are you a Analytical Spectroscopist using NearInfraRed (NIR)? This is for you | QA QC Food Feed Lab Biotech LINK

Spectroscopy and Chemometrics News Weekly 29, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 29, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodels LINK

This week's NIR news Weekly is sponsored by Your NIR-Company-Name Here - Best-NIR-instruments. Check out their product page ... link




Chemometrics

"Study on the Relationship Model between Drying Time and Moisture Content of Coco-peat" LINK

"Combining attenuated total reflectance- infrared spectroscopy and chemometrics for the identification and the dosage estimation of MDMA tablets" LINK

Raman spectroscopy and chemometrics: A potential universal method for ... LINK

"AUTOMATIC PREDICTION OF LEAVE CHEMICAL COMPOSITIONS BASED ON NIR SPECTROSCOPY WITH MACHINE LEARNING" LINK




Near Infrared

In Press: High prevalence of cholesterol-rich atherosclerotic lesions in ancient mummies: A near-infrared spectroscopy study. LINK

"Maintaining the predictive abilities of tea moisture content models on different environment based on Visible and Near-Infrared spectroscopy technique" LINK

"Classification of commercial charcoal for domestic use by near infrared spectroscopy" LINK

"Fast determination of oxides content in cement raw meal using NIR-spectroscopy and backward interval PLS with genetic algorithm" LINK

"Prediction of Soil Lead Content Using Visible and Near-Infrared Spectroscopy" LINK

"Cultivar Classification of Single Sweet Corn Seed Using Fourier Transform Near-Infrared Spectroscopy Combined with Discriminant Analysis" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts" FTNIR LINK

"Prediction of soluble solid content, vitamin C, total acid and firmness in astringent persimmon (Diospyros kaki L.) cv. Rendeu using NIR spectroscopy" LINK

Near-infrared spectroscopy, has detected cholesterol-rich plaques in arterial samples in ancient mummies.These earlier-stage lesions from different geographical areas, suggests atherosclerosis has been present in humans since ancient times.| ☆ LINK

Karl Norris: Father of NIR Spectroscopy. We are sad to announce that Karl Norris passed away peacefully on 17 July 2019 at the age of 98. Nearinfrared LINK

"Pengembangan Model Jaringan Syaraf Tiruan untuk Penentuan Kandungan Kimia Biji Kopi Arabika Gayo dengan NIRS" LINK




Infrared

"Pharmaceutical formulation analysis of a gelatin-based soft capsule film sheet containing phytic acid using near-infrared spectroscopy" LINK

"Non-destructive testing technology of sugar content in Huapi kumquat by near infrared spectroscopy." LINK

"Determination of the Lignocellulosic Components of Olive Tree Pruning Biomass by Near Infrared Spectroscopy" LINK

"The quantitative detection of botanical impurities contained in seed cotton with near infrared spectroscopy method" LINK




Process Control

"Controlling Moisture Content of Natural Fibres in RTM-Process" LINK




Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers" LINK




Food & Feed

"Rapid fraud detection of cocoa powder with carob flour using near infrared spectroscopy" LINK

"A Novel Approach to Measure the Total Antioxidant Power of Wines through Near Infrared Spectroscopy and Its Relevance in Human Nutrition" LINK




Other

"Investigation on optical and mechanical properties of an organic single crystal: Guanidinium 4-aminobenzene sulfonate" LINK

"Microsoft to invest $1 billion in OpenAI" LINK

"[ZITATION][C] Research of Portable Tea Polyphenols Detector" LINK





CalibrationModel.com

Are you a Analytical Spectroscopist using NearInfraRed (NIR)? This is for you | QA QC Food Feed Lab Biotech LINK

Spectroscopy and Chemometrics News Weekly 29, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 29, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodels LINK

This week's NIR news Weekly is sponsored by Your NIR-Company-Name Here - Best-NIR-instruments. Check out their product page ... link




Chemometrics

"Study on the Relationship Model between Drying Time and Moisture Content of Coco-peat" LINK

"Combining attenuated total reflectance- infrared spectroscopy and chemometrics for the identification and the dosage estimation of MDMA tablets" LINK

Raman spectroscopy and chemometrics: A potential universal method for ... LINK

"AUTOMATIC PREDICTION OF LEAVE CHEMICAL COMPOSITIONS BASED ON NIR SPECTROSCOPY WITH MACHINE LEARNING" LINK




Near Infrared

In Press: High prevalence of cholesterol-rich atherosclerotic lesions in ancient mummies: A near-infrared spectroscopy study. LINK

"Maintaining the predictive abilities of tea moisture content models on different environment based on Visible and Near-Infrared spectroscopy technique" LINK

"Classification of commercial charcoal for domestic use by near infrared spectroscopy" LINK

"Fast determination of oxides content in cement raw meal using NIR-spectroscopy and backward interval PLS with genetic algorithm" LINK

"Prediction of Soil Lead Content Using Visible and Near-Infrared Spectroscopy" LINK

"Cultivar Classification of Single Sweet Corn Seed Using Fourier Transform Near-Infrared Spectroscopy Combined with Discriminant Analysis" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts" FTNIR LINK

"Prediction of soluble solid content, vitamin C, total acid and firmness in astringent persimmon (Diospyros kaki L.) cv. Rendeu using NIR spectroscopy" LINK

Near-infrared spectroscopy, has detected cholesterol-rich plaques in arterial samples in ancient mummies.These earlier-stage lesions from different geographical areas, suggests atherosclerosis has been present in humans since ancient times.| ☆ LINK

Karl Norris: Father of NIR Spectroscopy. We are sad to announce that Karl Norris passed away peacefully on 17 July 2019 at the age of 98. Nearinfrared LINK

"Pengembangan Model Jaringan Syaraf Tiruan untuk Penentuan Kandungan Kimia Biji Kopi Arabika Gayo dengan NIRS" LINK




Infrared

"Pharmaceutical formulation analysis of a gelatin-based soft capsule film sheet containing phytic acid using near-infrared spectroscopy" LINK

"Non-destructive testing technology of sugar content in Huapi kumquat by near infrared spectroscopy." LINK

"Determination of the Lignocellulosic Components of Olive Tree Pruning Biomass by Near Infrared Spectroscopy" LINK

"The quantitative detection of botanical impurities contained in seed cotton with near infrared spectroscopy method" LINK




Process Control

"Controlling Moisture Content of Natural Fibres in RTM-Process" LINK




Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers" LINK




Food & Feed

"Rapid fraud detection of cocoa powder with carob flour using near infrared spectroscopy" LINK

"A Novel Approach to Measure the Total Antioxidant Power of Wines through Near Infrared Spectroscopy and Its Relevance in Human Nutrition" LINK




Other

"Investigation on optical and mechanical properties of an organic single crystal: Guanidinium 4-aminobenzene sulfonate" LINK

"Microsoft to invest $1 billion in OpenAI" LINK

"[ZITATION][C] Research of Portable Tea Polyphenols Detector" LINK





Spectroscopy and Chemometrics News Weekly #28, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #28, 2019Spettroscopia e Chemiometria Weekly News #28, 2019

CalibrationModel.com

Why NIR vendors should use ready-to-use dedicated NIR modeling software solution that works already. LINK

Spectroscopy and Chemometrics News Weekly 27, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 27, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Messtechnik Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Labor Analyse LINK

Spettroscopia e Chemiometria Weekly News 27, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week's NIR news Weekly is sponsored by YourCompanyNameHere - BestNIRinstruments. Check out their product page ... link

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




Chemometrics

"Prediction of chemical content in patchouli oil (Pogostemon cablin Benth) by portable NIR spectroscopy" LINK

"Carbohydrate Analysis by NIRS-Chemometrics" LINK

"Chemosensors, Vol. 7, Pages 29: The Electronic Nose Coupled with Chemometric Tools for Discriminating the Quality of Black Tea Samples InSitu" LINK

fruit sensor calibration for monitoring fruit development continuously in the orchard see poster at ecpa2019 LINK

New Journal of Spectral Imaging–JSI Paper: Adaptive hierarchical clustering for hyperspectral image classification: Umbrella Clustering | Remotesensing LINK

"Prediction of Dissolution of Sustained Release Coated Ciprofloxacin Beads Using Near-infrared Spectroscopy and Process Parameters: a Data Fusion Approach" LINK




Near Infrared

"The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions" LINK

nIRCat, a near-infrared (1000-1300 nm) probe to image dopamine in the brain LINK

"交通渋滞場面での怒りの接近動機づけ (攻撃性) における加齢の影響: 近赤外線分光法 (NIRS)・心拍出量・唾液中コルチゾールを用いた検討 (ヒューマンコミュニケーション基礎)" LINK

"Desarrollar un modelo de predicción mediante Espectroscopia en Infrarrojo Cercano (NIRS) para la determinación de proteína cruda en subproductos de arroz (Oriza sativa)" LINK

Detection of intracranial hematomas in the emergency department using near infrared spectroscopy LINK

Coating excipients How to Measure Coating Thickness of Tablets: Method Comparison of Optical Coherence Tomography, Near-infrared Spectroscopy and Weight-, Height- and Diameter Gain LINK

"NIRS identification of black textiles: Improvements for waste textiles sorting" LINK

"Near-infrared spectroscopy for determining the oxidation stability of diesel, biodiesel and their mixtures" LINK

"Influence of surface roughness and surface moisture of plastics on sensor-based sorting in the near infrared range." LINK

"Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry" LINK




Hyperspectral

"Remote Sensing, Vol. 11, Pages 1622: A Lightweight Hyperspectral Image Anomaly Detector for Real-Time Mission" LINK




Spectral Imaging

"Multispectral Imaging for Detection of Adulterants in Turmeric Powder" LINK




Facts

It's hype nowadays to play with all the fancy shiny new open source releases, but how long will a company let their technicians play with it? LINK




Equipment

"Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceum L." LINK

"Extension of the Measurable Wavelength Range for a Near-Infrared Spectrometer Using a Plasmonic Au Grating on a Si Substrate" LINK




Process Control

"Integrated Robotic Mini Bioreactor Platform for Automated, Parallel Microbial Cultivation With Online Data Handling and Process Control" LINK




Agriculture

"Nutrients, Vol. 11, Pages 1476: Nutritional Properties and Consumers Acceptance of Provitamin A-Biofortified Amahewu Combined with Bambara (Vigna Subterranea) Flour" LINK

"Rapid detection of carbon-nitrogen ratio for anaerobic fermentation feedstocks using near-infrared spectroscopy combined with BiPLS and GSA" LINK




Forestry

"Soil C stocks in the sylvopastoral zone of Senegal as influences by trees" LINK




Medicinal

"Current methods for the assessment of skin microcirculation: Part 1" LINK




Other

"Kayseri Ekolojik Kosullarinda Farkli Ekim Zamanlarinin Nohut (Cicer arietinum L.) Bitkisinde verim, verim unsurlari ve kalite üzerine etkileri" LINK

"Seed composition of different Camelina sativa and Crambe abyssinica cultivars" LINK





CalibrationModel.com

Why NIR vendors should use ready-to-use dedicated NIR modeling software solution that works already. LINK

Spectroscopy and Chemometrics News Weekly 27, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 27, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Messtechnik Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Labor Analyse LINK

Spettroscopia e Chemiometria Weekly News 27, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week's NIR news Weekly is sponsored by YourCompanyNameHere - BestNIRinstruments. Check out their product page ... link

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




Chemometrics

"Prediction of chemical content in patchouli oil (Pogostemon cablin Benth) by portable NIR spectroscopy" LINK

"Carbohydrate Analysis by NIRS-Chemometrics" LINK

"Chemosensors, Vol. 7, Pages 29: The Electronic Nose Coupled with Chemometric Tools for Discriminating the Quality of Black Tea Samples InSitu" LINK

fruit sensor calibration for monitoring fruit development continuously in the orchard see poster at ecpa2019 LINK

New Journal of Spectral Imaging–JSI Paper: Adaptive hierarchical clustering for hyperspectral image classification: Umbrella Clustering | Remotesensing LINK

"Prediction of Dissolution of Sustained Release Coated Ciprofloxacin Beads Using Near-infrared Spectroscopy and Process Parameters: a Data Fusion Approach" LINK




Near Infrared

"The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions" LINK

nIRCat, a near-infrared (1000-1300 nm) probe to image dopamine in the brain LINK

"交通渋滞場面での怒りの接近動機づけ (攻撃性) における加齢の影響: 近赤外線分光法 (NIRS)・心拍出量・唾液中コルチゾールを用いた検討 (ヒューマンコミュニケーション基礎)" LINK

"Desarrollar un modelo de predicción mediante Espectroscopia en Infrarrojo Cercano (NIRS) para la determinación de proteína cruda en subproductos de arroz (Oriza sativa)" LINK

Detection of intracranial hematomas in the emergency department using near infrared spectroscopy LINK

Coating excipients How to Measure Coating Thickness of Tablets: Method Comparison of Optical Coherence Tomography, Near-infrared Spectroscopy and Weight-, Height- and Diameter Gain LINK

"NIRS identification of black textiles: Improvements for waste textiles sorting" LINK

"Near-infrared spectroscopy for determining the oxidation stability of diesel, biodiesel and their mixtures" LINK

"Influence of surface roughness and surface moisture of plastics on sensor-based sorting in the near infrared range." LINK

"Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry" LINK




Hyperspectral

"Remote Sensing, Vol. 11, Pages 1622: A Lightweight Hyperspectral Image Anomaly Detector for Real-Time Mission" LINK




Spectral Imaging

"Multispectral Imaging for Detection of Adulterants in Turmeric Powder" LINK




Facts

It's hype nowadays to play with all the fancy shiny new open source releases, but how long will a company let their technicians play with it? LINK




Equipment

"Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceum L." LINK

"Extension of the Measurable Wavelength Range for a Near-Infrared Spectrometer Using a Plasmonic Au Grating on a Si Substrate" LINK




Process Control

"Integrated Robotic Mini Bioreactor Platform for Automated, Parallel Microbial Cultivation With Online Data Handling and Process Control" LINK




Agriculture

"Nutrients, Vol. 11, Pages 1476: Nutritional Properties and Consumers Acceptance of Provitamin A-Biofortified Amahewu Combined with Bambara (Vigna Subterranea) Flour" LINK

"Rapid detection of carbon-nitrogen ratio for anaerobic fermentation feedstocks using near-infrared spectroscopy combined with BiPLS and GSA" LINK




Forestry

"Soil C stocks in the sylvopastoral zone of Senegal as influences by trees" LINK




Medicinal

"Current methods for the assessment of skin microcirculation: Part 1" LINK




Other

"Kayseri Ekolojik Kosullarinda Farkli Ekim Zamanlarinin Nohut (Cicer arietinum L.) Bitkisinde verim, verim unsurlari ve kalite üzerine etkileri" LINK

"Seed composition of different Camelina sativa and Crambe abyssinica cultivars" LINK





CalibrationModel.com

Why NIR vendors should use ready-to-use dedicated NIR modeling software solution that works already. LINK

Spectroscopy and Chemometrics News Weekly 27, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 27, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Messtechnik Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Labor Analyse LINK

Spettroscopia e Chemiometria Weekly News 27, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week's NIR news Weekly is sponsored by YourCompanyNameHere - BestNIRinstruments. Check out their product page ... link

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




Chemometrics

"Prediction of chemical content in patchouli oil (Pogostemon cablin Benth) by portable NIR spectroscopy" LINK

"Carbohydrate Analysis by NIRS-Chemometrics" LINK

"Chemosensors, Vol. 7, Pages 29: The Electronic Nose Coupled with Chemometric Tools for Discriminating the Quality of Black Tea Samples InSitu" LINK

fruit sensor calibration for monitoring fruit development continuously in the orchard see poster at ecpa2019 LINK

New Journal of Spectral Imaging–JSI Paper: Adaptive hierarchical clustering for hyperspectral image classification: Umbrella Clustering | Remotesensing LINK

"Prediction of Dissolution of Sustained Release Coated Ciprofloxacin Beads Using Near-infrared Spectroscopy and Process Parameters: a Data Fusion Approach" LINK




Near Infrared

"The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions" LINK

nIRCat, a near-infrared (1000-1300 nm) probe to image dopamine in the brain LINK

"交通渋滞場面での怒りの接近動機づけ (攻撃性) における加齢の影響: 近赤外線分光法 (NIRS)・心拍出量・唾液中コルチゾールを用いた検討 (ヒューマンコミュニケーション基礎)" LINK

"Desarrollar un modelo de predicción mediante Espectroscopia en Infrarrojo Cercano (NIRS) para la determinación de proteína cruda en subproductos de arroz (Oriza sativa)" LINK

Detection of intracranial hematomas in the emergency department using near infrared spectroscopy LINK

Coating excipients How to Measure Coating Thickness of Tablets: Method Comparison of Optical Coherence Tomography, Near-infrared Spectroscopy and Weight-, Height- and Diameter Gain LINK

"NIRS identification of black textiles: Improvements for waste textiles sorting" LINK

"Near-infrared spectroscopy for determining the oxidation stability of diesel, biodiesel and their mixtures" LINK

"Influence of surface roughness and surface moisture of plastics on sensor-based sorting in the near infrared range." LINK

"Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry" LINK




Hyperspectral

"Remote Sensing, Vol. 11, Pages 1622: A Lightweight Hyperspectral Image Anomaly Detector for Real-Time Mission" LINK




Spectral Imaging

"Multispectral Imaging for Detection of Adulterants in Turmeric Powder" LINK




Facts

It's hype nowadays to play with all the fancy shiny new open source releases, but how long will a company let their technicians play with it? LINK




Equipment

"Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceum L." LINK

"Extension of the Measurable Wavelength Range for a Near-Infrared Spectrometer Using a Plasmonic Au Grating on a Si Substrate" LINK




Process Control

"Integrated Robotic Mini Bioreactor Platform for Automated, Parallel Microbial Cultivation With Online Data Handling and Process Control" LINK




Agriculture

"Nutrients, Vol. 11, Pages 1476: Nutritional Properties and Consumers Acceptance of Provitamin A-Biofortified Amahewu Combined with Bambara (Vigna Subterranea) Flour" LINK

"Rapid detection of carbon-nitrogen ratio for anaerobic fermentation feedstocks using near-infrared spectroscopy combined with BiPLS and GSA" LINK




Forestry

"Soil C stocks in the sylvopastoral zone of Senegal as influences by trees" LINK




Medicinal

"Current methods for the assessment of skin microcirculation: Part 1" LINK




Other

"Kayseri Ekolojik Kosullarinda Farkli Ekim Zamanlarinin Nohut (Cicer arietinum L.) Bitkisinde verim, verim unsurlari ve kalite üzerine etkileri" LINK

"Seed composition of different Camelina sativa and Crambe abyssinica cultivars" LINK





Spectroscopy and Chemometrics News Weekly #26, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #26, 2019Spettroscopia e Chemiometria Weekly News #26, 2019

CalibrationModel.com

NIR Method Development Service for Labs and NIR-Vendors (OEM) LINK

Spectroscopy and Chemometrics News Weekly 25, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 25, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensoren Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 25, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK




Chemometrics

"X-ray fluorescence and visible near infrared sensor fusion for predicting soil chromium content" LINK

"Staling of white wheat bread crumb and effect of maltogenic a-amylases. Part 2: Monitoring the staling process by using near infrared spectroscopy and chemometrics" LINK

"Rapid and Nondestructive Quantification of Trimethylamine by FT-NIR Coupled with Chemometric Techniques" Fish quality LINK

"Prediction of yerba mate caffeine content using near infrared spectroscopy" LINK

"Journal Highlight: A new flow cell and chemometric protocol for implementing inline Raman spectroscopy in chromatography" LINK

Teaching Machine Learning at the moment and a student asks whether "PCA" stands for "Pretty Cool Algorithm" after I apparently used that phrase... That should really have been deliberate (it wasn't). I will never use "Principal Component Analysis" again. PrettyCoolAlgorithm LINK

"A screening method based on Visible-NIR spectroscopy for the identification and quantification of different adulterants in high-quality honey." LINK

"Chemometric studies of the effects of milk fat replacement with different proportions of vegetable oils in the formulation of fat-filled milk powders: Implications for quality assurance." LINK

"Comparison of Bayesian and partial least squares regression methods for mid-infrared prediction of cheese-making properties in Montbéliarde cows" LINK

"NIR model transfer of alkali-soluble polysaccharides in Poria cocos with piecewise direct standardization" LINK

"Comparison of three different classification methods performance for the determination of biofuel quality by means of NIR spectroscopy" LINK

"Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV-vis spectroscopy" LINK

"Geographical origin traceability of Cabernet Sauvignon wines based on Infrared fingerprint technology combined with chemometrics." LINK

"Determination of Adulteration Content in Extra Virgin Olive Oil Using FT-NIR Spectroscopy Combined with the BOSSPLS Algorithm" LINK




Near Infrared

"NIR-based Sudan I to IV and Para-Red food adulterants screening." Paprika adulteration LINK

"Nondestructive detection of rape leaf chlorophyll level based on Vis-NIR spectroscopy." LINK

"High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel" | New phenomics paper from Ge, Schnable, Sigmon and Yang labs of & LINK

High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel LINK

"Estimating dry matter and fat content in blocks of Swiss cheese during production using on-line near infrared spectroscopy" LINK

"Temperature-dependent near-infrared spectroscopy for studying the interactions in protein aqueous solutions" LINK

" 滑皮金桔糖度的近红外光谱无损检测技术." "Non-destructive testing technology of sugar content in Huapikumquat by near infrared spectroscopy" LINK

"Grading and Sorting of Grape Berries Using Visible-Near Infrared Spectroscopy on the Basis of Multiple Inner Quality Parameters" LINK

"Modified silver nanoparticles enhanced single drop micro extraction of tartrazine in food samples coupled with diffuse reflectance Fourier transform infrared spectroscopic analysis" LINK

"Multicolor lanthanide-doped CaS and SrS near-infrared stimulated luminescent nanoparticles with bright emission: application in broad-spectrum lighting, information coding, and bio-imaging." LINK

"The use of mid-infrared spectra to map genes affecting milk composition" |(19)30485-0/fulltext?rss=yes LINK




Raman

"Semi-Automated Heavy-Mineral Analysis by Raman Spectroscopy" Minerals LINK




Hyperspectral

"Discrimination of astringent and deastringed hard Rojo Brillante persimmon fruit using a sensory threshold by means of hyperspectral imaging" LINK

"Remote Sensing, Vol. 11, Pages 1485: Tensor Based Multiscale Low Rank Decomposition for Hyperspectral Images Dimensionality Reduction" LINK




Agriculture

"Applied Sciences, Vol. 9, Pages 2472: Comparison of Raman and Mid-Infrared Spectroscopy for Real-Time Monitoring of Yeast Fermentations: A Proof-of-Concept for Multi-Channel Photometric Sensors" LINK

"Agronomy, Vol. 9, Pages 293: Field Spectroscopy to Determine Nutritive Value Parameters of Individual Ryegrass Plants" LINK




Pharma

"Quantification of Inkjet-Printed Pharmaceuticals on Porous Substrates Using Raman Spectroscopy and Near-Infrared Spectroscopy" LINK




Laboratory

"Adapted-Consumer-Technology Approach to Making Near-Infrared-Reflectography Visualization of Paintings and Murals Accessible to a Wider Audience" - Journal of Chemical Education LINK





CalibrationModel.com

NIR Method Development Service for Labs and NIR-Vendors (OEM) LINK

Spectroscopy and Chemometrics News Weekly 25, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 25, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensoren Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 25, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK




Chemometrics

"X-ray fluorescence and visible near infrared sensor fusion for predicting soil chromium content" LINK

"Staling of white wheat bread crumb and effect of maltogenic a-amylases. Part 2: Monitoring the staling process by using near infrared spectroscopy and chemometrics" LINK

"Rapid and Nondestructive Quantification of Trimethylamine by FT-NIR Coupled with Chemometric Techniques" Fish quality LINK

"Prediction of yerba mate caffeine content using near infrared spectroscopy" LINK

"Journal Highlight: A new flow cell and chemometric protocol for implementing inline Raman spectroscopy in chromatography" LINK

Teaching Machine Learning at the moment and a student asks whether "PCA" stands for "Pretty Cool Algorithm" after I apparently used that phrase... That should really have been deliberate (it wasn't). I will never use "Principal Component Analysis" again. PrettyCoolAlgorithm LINK

"A screening method based on Visible-NIR spectroscopy for the identification and quantification of different adulterants in high-quality honey." LINK

"Chemometric studies of the effects of milk fat replacement with different proportions of vegetable oils in the formulation of fat-filled milk powders: Implications for quality assurance." LINK

"Comparison of Bayesian and partial least squares regression methods for mid-infrared prediction of cheese-making properties in Montbéliarde cows" LINK

"NIR model transfer of alkali-soluble polysaccharides in Poria cocos with piecewise direct standardization" LINK

"Comparison of three different classification methods performance for the determination of biofuel quality by means of NIR spectroscopy" LINK

"Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV-vis spectroscopy" LINK

"Geographical origin traceability of Cabernet Sauvignon wines based on Infrared fingerprint technology combined with chemometrics." LINK

"Determination of Adulteration Content in Extra Virgin Olive Oil Using FT-NIR Spectroscopy Combined with the BOSSPLS Algorithm" LINK




Near Infrared

"NIR-based Sudan I to IV and Para-Red food adulterants screening." Paprika adulteration LINK

"Nondestructive detection of rape leaf chlorophyll level based on Vis-NIR spectroscopy." LINK

"High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel" | New phenomics paper from Ge, Schnable, Sigmon and Yang labs of & LINK

High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel LINK

"Estimating dry matter and fat content in blocks of Swiss cheese during production using on-line near infrared spectroscopy" LINK

"Temperature-dependent near-infrared spectroscopy for studying the interactions in protein aqueous solutions" LINK

" 滑皮金桔糖度的近红外光谱无损检测技术." "Non-destructive testing technology of sugar content in Huapikumquat by near infrared spectroscopy" LINK

"Grading and Sorting of Grape Berries Using Visible-Near Infrared Spectroscopy on the Basis of Multiple Inner Quality Parameters" LINK

"Modified silver nanoparticles enhanced single drop micro extraction of tartrazine in food samples coupled with diffuse reflectance Fourier transform infrared spectroscopic analysis" LINK

"Multicolor lanthanide-doped CaS and SrS near-infrared stimulated luminescent nanoparticles with bright emission: application in broad-spectrum lighting, information coding, and bio-imaging." LINK

"The use of mid-infrared spectra to map genes affecting milk composition" |(19)30485-0/fulltext?rss=yes LINK




Raman

"Semi-Automated Heavy-Mineral Analysis by Raman Spectroscopy" Minerals LINK




Hyperspectral

"Discrimination of astringent and deastringed hard Rojo Brillante persimmon fruit using a sensory threshold by means of hyperspectral imaging" LINK

"Remote Sensing, Vol. 11, Pages 1485: Tensor Based Multiscale Low Rank Decomposition for Hyperspectral Images Dimensionality Reduction" LINK




Agriculture

"Applied Sciences, Vol. 9, Pages 2472: Comparison of Raman and Mid-Infrared Spectroscopy for Real-Time Monitoring of Yeast Fermentations: A Proof-of-Concept for Multi-Channel Photometric Sensors" LINK

"Agronomy, Vol. 9, Pages 293: Field Spectroscopy to Determine Nutritive Value Parameters of Individual Ryegrass Plants" LINK




Pharma

"Quantification of Inkjet-Printed Pharmaceuticals on Porous Substrates Using Raman Spectroscopy and Near-Infrared Spectroscopy" LINK




Laboratory

"Adapted-Consumer-Technology Approach to Making Near-Infrared-Reflectography Visualization of Paintings and Murals Accessible to a Wider Audience" - Journal of Chemical Education LINK





CalibrationModel.com

NIR Method Development Service for Labs and NIR-Vendors (OEM) LINK

Spectroscopy and Chemometrics News Weekly 25, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 25, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensoren Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 25, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK




Chemometrics

"X-ray fluorescence and visible near infrared sensor fusion for predicting soil chromium content" LINK

"Staling of white wheat bread crumb and effect of maltogenic a-amylases. Part 2: Monitoring the staling process by using near infrared spectroscopy and chemometrics" LINK

"Rapid and Nondestructive Quantification of Trimethylamine by FT-NIR Coupled with Chemometric Techniques" Fish quality LINK

"Prediction of yerba mate caffeine content using near infrared spectroscopy" LINK

"Journal Highlight: A new flow cell and chemometric protocol for implementing inline Raman spectroscopy in chromatography" LINK

Teaching Machine Learning at the moment and a student asks whether "PCA" stands for "Pretty Cool Algorithm" after I apparently used that phrase... That should really have been deliberate (it wasn't). I will never use "Principal Component Analysis" again. PrettyCoolAlgorithm LINK

"A screening method based on Visible-NIR spectroscopy for the identification and quantification of different adulterants in high-quality honey." LINK

"Chemometric studies of the effects of milk fat replacement with different proportions of vegetable oils in the formulation of fat-filled milk powders: Implications for quality assurance." LINK

"Comparison of Bayesian and partial least squares regression methods for mid-infrared prediction of cheese-making properties in Montbéliarde cows" LINK

"NIR model transfer of alkali-soluble polysaccharides in Poria cocos with piecewise direct standardization" LINK

"Comparison of three different classification methods performance for the determination of biofuel quality by means of NIR spectroscopy" LINK

"Application of hierarchical classification models and reliability estimation by bootstrapping, for authentication and discrimination of wine vinegars by UV-vis spectroscopy" LINK

"Geographical origin traceability of Cabernet Sauvignon wines based on Infrared fingerprint technology combined with chemometrics." LINK

"Determination of Adulteration Content in Extra Virgin Olive Oil Using FT-NIR Spectroscopy Combined with the BOSSPLS Algorithm" LINK




Near Infrared

"NIR-based Sudan I to IV and Para-Red food adulterants screening." Paprika adulteration LINK

"Nondestructive detection of rape leaf chlorophyll level based on Vis-NIR spectroscopy." LINK

"High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel" | New phenomics paper from Ge, Schnable, Sigmon and Yang labs of & LINK

High-throughput analysis of leaf physiological and chemical traits with VIS–NIR–SWIR spectroscopy: a case study with a maize diversity panel LINK

"Estimating dry matter and fat content in blocks of Swiss cheese during production using on-line near infrared spectroscopy" LINK

"Temperature-dependent near-infrared spectroscopy for studying the interactions in protein aqueous solutions" LINK

" 滑皮金桔糖度的近红外光谱无损检测技术." "Non-destructive testing technology of sugar content in Huapikumquat by near infrared spectroscopy" LINK

"Grading and Sorting of Grape Berries Using Visible-Near Infrared Spectroscopy on the Basis of Multiple Inner Quality Parameters" LINK

"Modified silver nanoparticles enhanced single drop micro extraction of tartrazine in food samples coupled with diffuse reflectance Fourier transform infrared spectroscopic analysis" LINK

"Multicolor lanthanide-doped CaS and SrS near-infrared stimulated luminescent nanoparticles with bright emission: application in broad-spectrum lighting, information coding, and bio-imaging." LINK

"The use of mid-infrared spectra to map genes affecting milk composition" |(19)30485-0/fulltext?rss=yes LINK




Raman

"Semi-Automated Heavy-Mineral Analysis by Raman Spectroscopy" Minerals LINK




Hyperspectral

"Discrimination of astringent and deastringed hard Rojo Brillante persimmon fruit using a sensory threshold by means of hyperspectral imaging" LINK

"Remote Sensing, Vol. 11, Pages 1485: Tensor Based Multiscale Low Rank Decomposition for Hyperspectral Images Dimensionality Reduction" LINK




Agriculture

"Applied Sciences, Vol. 9, Pages 2472: Comparison of Raman and Mid-Infrared Spectroscopy for Real-Time Monitoring of Yeast Fermentations: A Proof-of-Concept for Multi-Channel Photometric Sensors" LINK

"Agronomy, Vol. 9, Pages 293: Field Spectroscopy to Determine Nutritive Value Parameters of Individual Ryegrass Plants" LINK




Pharma

"Quantification of Inkjet-Printed Pharmaceuticals on Porous Substrates Using Raman Spectroscopy and Near-Infrared Spectroscopy" LINK




Laboratory

"Adapted-Consumer-Technology Approach to Making Near-Infrared-Reflectography Visualization of Paintings and Murals Accessible to a Wider Audience" - Journal of Chemical Education LINK