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

NIR Calibration-Model Services

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




Near-Infrared Spectroscopy (NIRS)

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

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

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

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

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

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

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




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

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




Raman Spectroscopy

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




Hyperspectral Imaging (HSI)

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

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

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




Chemometrics and Machine Learning

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

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




Research on Spectroscopy

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

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

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

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




Equipment for Spectroscopy

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

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

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




Agriculture NIR-Spectroscopy Usage

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

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




Horticulture NIR-Spectroscopy Applications

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




Food & Feed Industry NIR Usage

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

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




Other

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

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

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

” 可见光-近红外, 中红外光谱的土壤有机质组分反演” LINK

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



Spectroscopy and Chemometrics/Machine-Learning News Weekly #46, 2021ews Weekly #46, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 45, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 45, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 45, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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

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




Near-Infrared Spectroscopy (NIRS)

“Intramuscular Near-Infrared Spectroscopy for Muscle Flap Monitoring in a Porcine Model” LINK

“Avocado dehydration negatively affects the performance of visible and near-infrared spectroscopy models for dry matter prediction” LINK

“Ultraviolet/Visible and Near-Infrared Dual Spectroscopic Method for Detection and Quantification of Low-Level Malaria Parasitemia in Whole Blood” LINK

“NIR hyperspectral imaging for predicting the composition of granular food commodities” LINK

“Multi-output 1-dimensional convolutional neural networks for simultaneous prediction of different traits of fruit based on near-infrared spectroscopy” LINK

“Non-Destructive Quality Measurement for Three Varieties of Tomato Using VIS/NIR Spectroscopy. Sustainability” | LINK

“Handheld NIRS for forage evaluation” LINK

“Rapid and Nondestructive Determination of Polyacrylonitrile Molecular Weight by Fourier Transform near-Infrared (NIR) Spectroscopy” LINK

“Determination of alcohols-diesel oil by near infrared spectroscopy based on gramian angular field image coding and deep learning” LINK

“Exploring Effects of Sample Storage, Preparation, and Tissue Type on Fourier Transform-Near Infrared Spectroscopy (Ft-Nirs) Ageing Across Fish Taxa” LINK

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

“Explainable artificial intelligence based analysis for interpreting infant fNIRS data in developmental cognitive neuroscience” LINK

“In Situ Determination of Cannabidiol in Hemp Oil by Near-Infrared Spectroscopy” LINK

“Rapid detection of adulteration in desiccated coconut powder: vis-NIR spectroscopy and chemometric approach” LINK

“Blood volume vs. deoxygenated NIRS signal: computational analysis of the effects muscle O2 delivery and blood volume on the NIRS signals” LINK

“Near-Infrared Spectroscopy Study of Serpentine Minerals and Assignment of the OH Group” LINK

“Identification of Microbes in Wounds via Near-Infrared Spectroscopy” LINK

“What causes differences in fracture rates of silcrete during heat treatment? A near-infrared study of water-related transformations in South African silcretes” LINK

“Correction of the moisture variation in wood NIR spectra for species identification using EPO and soft PLS2-DA” LINK

“Classification of rice based on storage time by using near infrared spectroscopy and chemometric methods” LINK




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

“Coherent Raman scattering imaging with a near-infrared achromatic metalens” LINK

“An Improved Residual Network for Pork Freshness Detection Using Near-Infrared Spectroscopy” LINK

“Distinguishing between different types of multi‐layered PET‐based backsheets of PV modules with nearinfrared spectroscopy” LINK

“Rapid Prediction Method of α-Glycosidase Inhibitory Activity of Coreopsis tinctoria Extract from Different Habitats by Near Infrared Spectroscopy” LINK

“Internal Quality Classification of Apples Based on Near Infrared Spectroscopy and Evidence Theory” LINK

“NearInfrared Photoactive Semiconductor Quantum Dots for Solar Cells” LINK




Hyperspectral Imaging (HSI)

“Application of hyperspectral imaging in the detection of aflatoxin B1 on corn seed” | LINK

“Hyperspectral Imaging Simulator and Applications for Unmanned Aerial Vehicles” LINK

“SWiVIA – Sliding window variographic image analysis for real-time assessment of heterogeneity indices in blending processes monitored with hyperspectral imaging” LINK

“Prediction of coffee aroma from single roasted coffee beans by hyperspectral imaging” LINK

“Evaluation of hyperspectral imaging to quantify perfusion changes during the modified Allen test” LINK

“Near infrared hyperspectral imaging for non-destructive determination of pH value in red delicious apple fruit during shelf life” LINK




Chemometrics and Machine Learning

“Determining tangential contact force model parameters for viscoelastic materials (apples) using a rheometer” LINK

“Physicochemical properties, content, composition and partial least squares models of A. trifoliata seeds oil” LINK

“Chemometrics and Experimental Design for the Quantification of Nitrate Salts in Nitric Acid: Near-Infrared Spectroscopy Absorption Analysis” LINK

“Evaluation and Monitoring of the API Content of a Portable Near Infrared Instrument Combined with Chemometrics Based on Fluidized Bed Mixing Process” | LINK

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

“Relationship Between Image Spectroscopy Spatial Resolution and Crown Level Tree Species Classification Accuracy” LINK

“An uncertainty sampling strategy based model updating method for soluble solid content and firmness prediction of apples from different years” LINK




Optics for Spectroscopy

“Leaky Mode Resonance-Induced Sensitive Ultraviolet Photodetector Composed of Graphene/Small Diameter Silicon Nanowire Array Heterojunctions” LINK




Facts

“Superiority Verification of Deep Learning in the Identification of Medicinal Plants: Taking Paris polyphylla var. yunnanensis as an Example” | LINK




Environment NIR-Spectroscopy Application

“Remote Sensing : Study on the Pretreatment of Soil Hyperspectral and Na+ Ion Data under Different Degrees of Human Activity Stress by Fractional-Order Derivatives” LINK

“Long-term effects of water stress on hyperspectral remote sensing indicators in young radiata pine” LINK

“Rapid assessment of soil water repellency indices using Vis-NIR spectroscopy and pedo-transfer functions” LINK




Agriculture NIR-Spectroscopy Usage

“Non-destructive determination of protein and amino acids concentration and their relationship with grain yield affected by different irrigation, sowing date …” LINK

“Physiological and molecular characterization of the late ripening stages in Mangifera indica cv Keitt” LINK

” Using UAV-based hyperspectral imaging and functional regression to assist in predicting grain yield and related traits in wheat under heat-related stress …” | LINK

“Crop Production Under Urbanisation: An Experimental Approach to Understand and Model Agricultural Intensification” | LINK

“Advancements in Forage Management: Grazing Horses on Cover Crops and Exploring Hand-Held Nirs Technology” LINK




Food & Feed Industry NIR Usage

“Applied Sciences : Winter Wheat Take-All Disease Index Estimation Model Based on Hyperspectral Data” LINK

“Foods : Total Fat Gravimetric Method Workflow in Portuguese Olives Using Closed-Vessel Microwave-Assisted Extraction (MAE)” LINK

“Foods : Multiple Breeds and Countries Predictions of Mineral Contents in Milk from Milk Mid-Infrared Spectrometry” LINK




Other

“Fiber and digestibility of Piatã grass in systems in integration.” LINK

“Detection of syrup adulterants in manuka and jarrah honey using HPTLC-multivariate data analysis” | LINK



Spectroscopy and Chemometrics/Machine Learning News Weekly #39, 2021

NIR Calibration-Model Services

“NIR-Predictor is a FREE Windows App capable of reporting the analysis results of the prediction data from any NIR spectrometer.” | NIRanalysis NIRspectrometer NIRcalibration NIRprediction NIRresults NIRS NIR LINK

How to create Near-Infrared Spectroscopy Equations today? | Application Prozess Chemie NIR Engineer Lab NIR ag LINK

Spectroscopy and Chemometrics/Machine Learning News Weekly 38, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

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

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



Near-Infrared Spectroscopy (NIRS)

“Effectiveness of visible – Near infrared spectroscopy coupled with simulated annealing partial least squares analysis to predict immunoglobulins G, A, and M concentration in bovine colostrum” LINK

“Prospector is an Android app capable of capturing, storing, visualizing, and exporting data from … handheld NIR spectrometers.” | AndroidApp handheldNIR NIRspectrometers LINK

“NIR-Predictor is a FREE Windows App capable of reporting the analysis results of the prediction data from any NIR spectrometer.” | NIRanalysis NIRspectrometer NIRcalibration NIRprediction NIRresults NIRS NIR LINK

“Shining NIR light on ivory: A practical enforcement tool for elephant ivory identification” LINK

“Foods : Near-Infrared Spectroscopy (NIRS) as a Tool for Classification of Pre-Sliced Iberian Salchichón, Modified Atmosphere Packaged (MAP) According to the Official Commercial Categories of Raw Meat” LINK

“NIRS as a biomarker of bowel ischaemia & surgical pathology: a meta-analysis of studies in newborns” LINK




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

“Cluster Analysis for IR and NIR Spectroscopy: Current Practices to Future Perspectives” LINK

“Bibliometric Analysis of Near-infrared Spectroscopy in Global Food Areas” LINK

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

“Effects of spectral transformations in support vector machine on predicting’Arumanis’ mango ripeness using near-infrared spectroscopy” LINK

“Sammons mapping regression for the quantitative analysis of glucose from both mid infrared and near infrared spectra” LINK

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

“Application of machinelearning methods to milk mid-infrared spectra for discrimination of cow milk from pasture or total mixed ration diets” LINK

“Application of Near Infrared Spectroscopy and Hyperspectral Imaging Technology to Detect Fruit Maturity” LINK




Hyperspectral Imaging (HSI)

“Pigment analysis based on a line-scanning fluorescence hyperspectral imaging microscope combined with multivariate curve resolution” LINK

“Hyperspectral image processing for the identification and quantification of lentiviral particles in fluid samples” LINK

“Remote Sensing : Evaluation of Point Hyperspectral Reflectance and Multivariate Regression Models for Grapevine Water Status Estimation” LINK

“Evaluation of Transmission Raman spectroscopy and NIR Hyperspectral Imaging for the assessment of content uniformity in solid oral dosage forms” LINK




Chemometrics and Machine Learning

“IJERPH : Prediction Models of Early Childhood Caries Based on Machine Learning Algorithms” LINK

“Mushroom’s Evaluation Based on FT-IR Fingerprint and Chemometrics” | mushrooms mushroom mushroomHunting LINK

“Applied Sciences : Adaptable and Explainable Predictive Maintenance: Semi-Supervised Deep Learning for Anomaly Detection and Diagnosis in Press Machine Data” LINK

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

“Foods : Vibrational Spectroscopy Combined with Chemometrics as Tool for Discriminating Organic vs. Conventional Culture Systems for Red Grape Extracts” LINK




Facts

“Plants : To What Extent Are the Effects of UV Radiation on Grapes Conserved in the Resulting Wines?” LINK

“Foods : How Do the Different Types of Carrier and Drying Techniques Affect the Changes in Physico-Chemical Properties of Powders from Chokeberry Pomace Extracts?” LINK




Research on Spectroscopy

“Polymers : Ansamitocin P3-Loaded Gold-NanoCage Conjugated with Immune Checkpoint Inhibitor to Enhance Photo-Chemo-Thermal Maturation of Dendritic Cells for Hepatocellular Carcinoma” LINK

“Research on the online rapid sensing method of moisture content in famous green tea spreading” LINK




Equipment for Spectroscopy

“Application of hand-held near-infrared and Raman spectrometers in surface treatment authentication of cork stoppers” LINK




Process Control and NIR Sensors

“Charge-Transfer in Panchromatic Porphyrin-Tetracyanobuta-1,3-diene-Donor Conjugates: Switching the Role of Porphyrin in the Charge Separation Process” LINK




Environment NIR-Spectroscopy Application

“Assessing Soil Organic Matter Content in a Coal Mining Area through Spectral Variables of Different Numbers of Dimensions” LINK




Agriculture NIR-Spectroscopy Usage

“New $20m feed technology facility: Production efficiency is a big area for us ” LINK

“Remote Sensing : Broadacre Crop Yield Estimation Using Imaging Spectroscopy from Unmanned Aerial Systems (UAS): A Field-Based Case Study with Snap Bean” LINK

“An effective strategy for the monitoring of microplastics in complex aquatic matrices: Exploiting the potential of near infrared hyperspectral imaging (NIR-HSI)” LINK

“Agronomy : The Effect of Tytanit Foliar Application and Different Nitrogen on Fibre Fraction Content and the Feed Value of Festulolium braunii” LINK

“Hyperspectral imaging as an emerging tool to analyze microplastics: A systematic review and recommendations for future development” LINK




Food & Feed Industry NIR Usage

“Effectiveness of two different at-line instruments for the assessment of cheese composition, major minerals and fatty acids content” LINK

“Feasibility study on quantification and authentication of the cassava starch content in wheat flour for bread-making using NIR spectroscopy and Digital Images” LINK




Pharma Industry NIR Usage

“Exploiting spatio-spectral aberrations for rapid synchrotron infrared imaging” LINK




Other

“Integrated sedimentary and high-resolution mineralogical characterisation of Ordovician shale from Canning Basin, Western Australia: Implications for facies …” LINK





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Spectroscopy and Chemometrics News Weekly #4, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 3, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 3, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 3, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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

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


Near-Infrared Spectroscopy (NIRS)

“Transcutaneous Near Infra-Red Spectroscopy (NIRS) for monitoring paediatric renal allograft perfusion” LINK

“Multivariate calibration: Identification of phenolic compounds in PROPOLIS using FTNIR” LINK

“Feasibility study of detecting palm oil adulteration with recycled cooking oil using a handheld NIR spectroscopy” LINK

“PREDICTION OF BIOACTIVE COMPOUNDS IN BARLEY BY NEAR-INFRARED REFLECTANCE SPECTROSCOPY (NIRS)” LINK

“A Systematic and Consistent Assay for High-throughput Characterization of Stalk Quality in Sugarcane by Near-infrared Spectroscopy” LINK

“Ultraviolet-visible/near infrared spectroscopy and hyperspectral imaging to study the different types of raw cotton” LINK




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

“Rapid qualitative identification and quantitative analysis of Flos Mume based on fourier transform near infrared spectroscopy” LINK

” Distinction of surgically resected gastrointestinal stromal tumor by near-infrared hyperspectral imaging” LINK

” Dataset of chemical and near-infrared spectroscopy measurements of fresh and dried poultry and cattle manure” LINK

“Utilizing near infrared hyperspectral imaging for quantitatively predicting adulteration in tapioca starch” LINK

“Near-infrared hyperspectral imaging for detection and visualization of offal adulteration in ground pork” LINK

“Comparative study of degradation between the carbon black back coat layer and magnetic layer in magnetic audio tapes using attenuated total reflectance Fourier transform infrared spectroscopy and machine learning techniques” LINK




Hyperspectral Imaging (HSI)

“Near-infrared hyperspectral imaging (NIR-HSI) and normalized difference image (NDI) data processing: an advanced method to map collagen in archaeological …” LINK

“Effect of curvature on hyperspectral reflectance images of cereal seed-sized objects” LINK

” Application of hyperspectral imaging to detect toxigenic Fusarium infection on cornmeal” LINK




Chemometrics and Machine Learning

“Determination of Conformational Changes of Polyphenol Oxidase and Peroxidase in Peach Juice during Mild Heat Treatment Using FTIR Spectroscopy Coupled with Chemometrics” LINK

“Model-Based Pre-Processing in Vibrational Spectroscopy” LINK

“Challenging handheld NIR spectrometers with moisture analysis in plant matrices: performance of PLSR vs. GPR vs. ANN modelling” LINK

“Maturity determination of single maize seed by using near-infrared hyperspectral imaging coupled with comparative analysis of multiple classification models” LINK

“Comparison of Soil Total Nitrogen Content Prediction Models Based on Vis-NIR Spectroscopy.” LINK

“Machine Learning-Based Presymptomatic Detection of Rice Sheath Blight Using Spectral Profiles.” LINK




Equipment for Spectroscopy

“Green analytical assay for the quality assessment of tea by using pocket-sized NIR spectrometer.” Caffeine Catechins Theanine LINK




Process Control and NIR Sensors

” Impact of Processing and Extraction on the Minor Components of Green Spanish-Style Gordal Table Olive Fat, as Assessed by Innovative Approaches” LINK




Environment NIR-Spectroscopy Application

“National-scale spectroscopic assessment of soil organic carbon in forests of the Czech Republic” LINK

“Image and Point Data Fusion for Enhanced Discrimination of Ore and Waste in Mining” LINK




Agriculture NIR-Spectroscopy Usage

” Evaluation of the physicochemical content and solid-state fermentation stage of Zhenjiang aromatic vinegar using near-infrared spectroscopy” LINK

“Non-invasive spectroscopic and imaging systems for prediction of beef quality in a meat processing pilot plant” LINK

“Compositional Analyses Reveal Relationships among Components of Blue Maize Grains” LINK

“Rapid Detection of the Quality of Miso (Japanese Fermented Soybean Paste) Using Visible/Near-Infrared Spectroscopy” LINK




Horticulture NIR-Spectroscopy Applications

“Optical Absorption and Scattering Properties at 900-1650 nm and Their Relationships with Soluble Solid Content and Soluble Sugars in Apple Flesh during Storage” LINK




Food & Feed Industry NIR Usage

“Feasibility of fraud detection in rice using a handheld near-infrared spectroscopy” LINK

“Feasibility of fraud detection in milk powder using a handheld near-infrared spectroscopy” LINK

“Wild barley, a resource to optimize yield stability and quality of elite barley: kumulative Dissertation” LINK

” Assessment of the vigor of rice seeds by near-infrared hyperspectral imaging combined with transfer learning” LINK




Laboratory and NIR-Spectroscopy

” Identification of peat type and humification by laboratory VNIR/SWIR hyperspectral imaging of peat profiles with focus on fen-bog transition in aapa mires” LINK





Digitization in the field of NIR spectroscopy (smart sensors)

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

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

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

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

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

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

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

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


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

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

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


If interested in using/evaluating the service :

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



see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper



Spectroscopy and Chemometrics News Weekly #41, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 40, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

NIR-Spectroscopy and Chemometrics News Weekly 40, 2020 Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 40, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 40, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“Comparison of four mobile, non‐invasive diagnostic techniques for differentiating glass types in historical leaded windows: MA‐XRF, UV–Vis–NIR, Raman …” LINK

“NIR associated to PLS and SVM for fast and non-destructive determination of C, N, P, and K contents in poultry litter” LINK

“Feasibility of FT-NIR spectroscopy and Vis/NIR hyperspectral imaging for sorting unsound chestnuts” LINK

“Estimating purple-soil moisture content using Vis-NIR spectroscopy” | LINK




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

“Classification approaches for sorting maize (Zea mays subsp. mays) haploids using single‐kernel near‐infrared spectroscopy” LINK

“Near Infrared and Aquaphotomic analysis of water absorption in lactate containing media” LINK

“Classification of Imbalanced Near-infrared Spectroscopy Data” LINK

“Meat freshness revealed by visible to near-infrared spectroscopy and principal component analysis” LINK

“Measurement of the diffusion coefficient and hydrogen bonds of water in a dry-protective solution by microscopic near-infrared spectroscopy” LINK

“Authentication of Antibiotics Using Portable Near-Infrared Spectroscopy and Multivariate Data Analysis” LINK

“Infrared spectroscopy approaches support soil organic carbon estimations to evaluate land degradation” LINK

“Assessment of some wood properties by near infrared spectroscopy” LINK

“Impact of spectroscopic information on total column water vapor retrieval in the near-infrared spectral region” LINK

“Prediction of intramuscular fat in lamb by visible and near-infrared spectroscopy in an abattoir environment” LINK




Raman Spectroscopy

“Principal Component Regression for Forensic Age Determination Using the Raman Spectra of Teeth” LINK




Hyperspectral Imaging (HSI)

“Rapid and nondestructive evaluation of hygroscopic behavior changes of thermally modified softwood and hardwood samples using near-infrared hyperspectral imaging (NIR-HSI)” LINK

“Differentiation of Environmental Bacteria Using Hyperspectral Imaging Technology And Multivariate Analysis” LINK




Chemometrics and Machine Learning

“Comprehensive chemometric classification of snack products based on their near infrared spectra” LINK

“Adulteration detection of corn oil, rapeseed oil and sunflower oil in camellia oil by in situ diffuse reflectance near-infrared spectroscopy and chemometrics” LINK

“Near-Infrared Spectroscopy Coupled Chemometric Algorithms for Rapid Origin Identification and Lipid Content Detection of Pinus Koraiensis Seeds” Sensors LINK

“Application of Generative Adversarial Network for the Prediction of Gasoline Properties” LINK

“Near Infrared Reflectance Spectroscopy Coupled to Chemometrics as a Cost-Effective, Rapid and Non-Destructive Tool for Fish Fraud Control: Monitoring Source …” LINK

“Using chemometrics to characterise and unravel the near infra-red spectral changes induced in aubergine fruit by chilling injury as influenced by storage time and …” LINK




Equipment for Spectroscopy

“Water as a probe to understand the traditional Chinese medicine extraction process with near infrared spectroscopy: a case of Danshen (Salvia miltiorrhiza Bge) …” LINK




Process Control and NIR Sensors

“Sample Mass Estimate for the Use of Near-Infrared and Raman Spectroscopy to Monitor Content Uniformity in a Tablet Press Feed Frame of a Drug Product Continuous Manufacturing Process” LINK




Environment NIR-Spectroscopy Application

“ESTIMATION OF SOIL HEAVY METAL COMBINING FRACTIONAL ORDER DERIVATIVE” LINK

“Metabolomics approaches for analysing effects of geographic and environmental factors on the variation of root essential oils of Ferula assa-foetida L.” LINK




Agriculture NIR-Spectroscopy Usage

“Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review.” LINK




Food & Feed Industry NIR Usage

“Multi-block classification of chocolate and cocoa samples into sensory poles” LINK




Pharma Industry NIR Usage

“Rapid quantification of active pharmaceutical ingredient for sugar-free Yangwei granules in commercial production using FT-NIR spectroscopy based on machine …” LINK




Laboratory and NIR-Spectroscopy

“Resin and volatile content of melamine-impregnated paper assessed by near infrared spectroscopy, a simulation of the industrial process using a laboratory-scale …” | LINK




Other

“Development of an automatic sorting robot for construction and demolition waste” LINK

“SEASONAL SPECTRAL SEPARABILITY OF SELECTED GRASSES: CASE STUDY FROM THE KRKONOŠE MTS. TUNDRA ECOSYSTEM” LINK

“Polymer types ingested by northern fulmars (Fulmarus glacialis) and southern hemisphere relatives.” LINK

“High-sensitive spectroscopy for remote sensing of concrete structures” LINK





NIR Analysis in Laboratory and Laboratories – aka NIR Labs and NIR testing


Do you have a NIR spectrometer in your Lab?

How many other analytics you do in the Lab could be done faster and cheaper with NIR?

Is this possible and precise enough?

Try, we have the solution for you!
You have the NIR, scan the samples, you have the lab values and the spectra, we calibrate for you!

To see if the application is possible and how precise it can be due to knowledge based intensive model optimizations.

We do the NIR feasibility study with data for you. Fixed prices

NIR has huge application potentials and it’s a Green analytical method, that’s fast and easy to use. And has today the possibility to scale out with inexpensive mobile NIR spectrometers.

Bring the Lab to the sample. To avoid sample transport and get immediate results for decision at the place or in the process.

Just try the NIR application, use the NIR daily, collect data in parallel, we develop, optimize and maintain the calibration models for you.

How do you think?

Start Calibrate


What is possible today with NIR?
The number of different Applications exploded in the last 2-3 years!
See NIR research papers news daily on @CalibModel or the 7-day summariesNIR News Weekly” here.

Spectroscopy and Chemometrics News Weekly #32, 2020

NIR Calibration-Model Services

Increase Your Profit with optimized NIR Accuracy Laboratory QC QA Food Feed Aquaculture petfood grain milk LINK

NIR User? Get better results faster … here is how | Food Science QC Lab Laboratory Manager chemist LabWork Chemie analytik LINK

Spectroscopy and Chemometrics News Weekly 31, 2020 | 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 31, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 31, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“A Performance Comparison of Low-Cost Near-Infrared (NIR) Spectrometers to a Conventional Laboratory Spectrometer for Rapid Biomass Compositional Analysis” LINK

“Lifting wavelet transform for Vis-NIR spectral data optimization to predict wood density.” LINK

New paper ‘Comparison of Raman and Near-Infrared Chemical Mapping for the Analysis of Pharmaceutical Tablets’ in from Hannah Carruthers () PhD work with Don Clark, Fiona Clarke LINK

“Peach variety detection using VIS-NIR spectroscopy and deep learning” LINK

“Rapid Screening of Phenolic Compounds from Wild Lycium ruthenicum Murr. Using Portable near-Infrared (NIR) Spectroscopy Coupled Multivariate Analysis” LINK




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

“Accurate Prediction of Sensory Attributes of Cheese Using Near-Infrared Spectroscopy Based on Artificial Neural Network” Sensors LINK

“Determination of Ethanol in Gel Hand Sanitizers Using Mid and Near Infrared Spectroscopy” LINK

“Dynamic monitoring of fatty acid value in rice storage based on a portable near-infrared spectroscopy system” LINK

“Establishment of an Accurate Starch Content Analysis System for Fresh Cassava Roots Using Short-Wavelength Near Infrared Spectroscopy” LINK

“Photochemical upconversion of near-infrared light from below the silicon bandgap” LINK

” Rapid determination of adulteration in virgin and copra coconut oil using Fourier transform near infrared spectroscopy” LINK

“Non-destructive determination of fat and moisture contents in salmon (Salmo salar) fillets using near-infrared hyperspectral imaging coupled with spectral and textural …” LINK

“Penentuan Kandungan Kimia Utama Minyak Nilam (Pogostemon cablin Benth.) Menggunakan Portable Near Infrared Spectroscopy” LINK

“Evaluation of an autoencoder as a feature extraction tool for near-infrared spectroscopic discriminant analysis” LINK




Chemometrics and Machine Learning

“High-precision identification of the edible oil actual storage periods by FT-NIR spectroscopy combined with chemometrics methods” LINK

“Nearinfrared multivariate model transfer for quantification of different hydrogen bonding species in aqueous systems” LINK

“Rapid determination of polysaccharides and antioxidant activity of Poria cocos using near-infrared spectroscopy combined with chemometrics” LINK

“Quantifying Soluble Sugar in Super Sweet Corn Using Near-Infrared Spectroscopy Combined with Chemometrics” LINK

“… parameter optimization for discriminant model development: A case study of differentiating Pinellia ternata from Pinellia pedatisecta with near infrared spectroscopy” LINK




Optics for Spectroscopy

“Effective of adhesives in textiles on quantitative chemical analysis of fibers.” LINK




Research on Spectroscopy

“Assessment of Supercritical CO2 Extraction as a Method for Plastic Waste Decontamination” LINK




Equipment for Spectroscopy

“A Visible and Near-Infrared Light Activatable Diazo-Coumarin Probe for Fluorogenic Protein Labeling in Living Cells” LINK




Environment NIR-Spectroscopy Application

“Alterations of plastics spectra in MIR and the potential impacts on identification towards recycling” LINK

“Carbonates and organic matter in soils characterized by reflected energy from 350–25000 nm wavelength” LINK




Agriculture NIR-Spectroscopy Usage

“Remote Sensing, Vol. 12, Pages 2019: Study on Spectral Response and Estimation of Grassland Plants Dust Retention Based on Hyperspectral Data” LINK

“Application of FT-NIR spectroscopy and NIR hyperspectral imaging to predict nitrogen and organic carbon contents in mine soils” LINK




Forestry and Wood Industry NIR Usage

“The Effect of Construction and Demolition Waste Plastic Fractions on Wood-Polymer Composite Properties.” LINK

“Genetic improvement of the chemical composition of Scots pine (Pinus sylvestris L.) juvenile wood for bioenergy production” LINK




Food & Feed Industry NIR Usage

“Identification of Bacterial Blight Resistant Rice Seeds Using Terahertz Imaging and Hyperspectral Imaging Combined With Convolutional Neural Network” LINK

“Compositional method for measuring the nutritional label components of industrial pastries and biscuits based on Vis/NIR spectroscopy” PUFA TUFA LINK




Beverage and Drink Industry NIR Usage

“Reliable Discrimination of Green Coffee Beans Species: A Comparison of UV-Vis-Based Determination of Caffeine and Chlorogenic Acid with Non-Targeted Near …” LINK




Laboratory and NIR-Spectroscopy

“Machine vision estimates the polyester content in recyclable waste textiles” LINK




Other

“A spectral analysis of common boreal ground lichen species” LINK

“A 3D-polyphenylalanine network inside porous alumina: Synthesis and characterization of an inorganic–organic composite membrane” LINK

“近赤外分光法と多変量解析を用いた建築用材の識別とその汎化性能向上” LINK

“Implication de la vasopressine dans l’hypoperfusion tissulaire au cours du choc cardiogénique compliquant l’infarctus du myocarde” LINK

“Spectral Characteristics and Application of Synthetic Hydrothermal Red Beryl” LINK

“Structural and optical properties of copper oxide (CuO) nanocoatings as selective solar absorber” LINK





Spectroscopy and Chemometrics News Weekly #31, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 30, 2020 | 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 30, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 30, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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

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




Near-Infrared Spectroscopy (NIRS)

“Classifying Wood Properties of Loblolly Pine Grown in Southern Brazil Using NIR-Hyperspectral Imaging” Forests LINK

“Application of Fourier Transform Near-Infrared (FT-NIR) and Fourier Transform Infrared (FT-IR) Spectroscopy Coupled with Wavelength Selection for Fast Discrimination of Similar Color of Tuber Flours” LINK

“Aseguramiento de la calidad y autentificación de vinagres de vino mediante sensores NIRS” LINK

“One leaf for all: Chemical traits of single leaves measured at the leaf surface using Near infrared‐reflectance spectroscopy (NIRS)” LINK

“On-Chip Laser-Absorptionsspektrometer macht kleines Analysegerät möglich” NIR VIS LINK

Some new results on near infrared spectroscopy for detecting sporozoites in malaria vectors. We tested the method using mosquitoes infected with Pl. falciparum field isolates from asymptomatic gametocyte carriers in Kilifi, Kenya. KEMRI_Wellcome NIRS LINK

“One leaf for all: Chemical traits of single leaves measured at the leaf surface using Near infraredreflectance spectroscopy (NIRS)” LINK




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

“Near-infrared spectroscopy with linear discriminant analysis for green’Robusta’coffee bean sorting.” LINK

“Rapid detection of green pea adulteration in ground pistachio nuts using near and mid-infrared spectroscopy” LINK

“Water-Soluble Carbohydrates of Cool-Season Grasses: Prediction of Concentrations by Near-Infrared Reflectance Spectroscopy and Evaluation of Effects of Genetics, Management, and Environment.” LINK

“Rapid authentication of Pseudostellaria heterophylla (Taizishen) from different regions by near-infrared spectroscopy combined with chemometric methods.” LINK




Hyperspectral Imaging (HSI)

“Hyperspectral characterization of reepithelialization in an in vitro wound model” LINK




Chemometrics and Machine Learning

“Comparisons the prediction results of soil properties based on Fuzzy C-means clustering and expert knowledge from laboratory Vis-NIR spectroscopy data” LINK

“Near-infrared spectroscopy combined with chemometrics for quality control of German chamomile (Matricaria recutita L.) and detection of its adulteration by related …” LINK

“A novel method to rapidly evaluate the quality of the traditional Chinese medicine Gentiana straminea Maxim. using near infrared spectroscopy coupled with chemometrics” LINK

“Prediction of strength properties of poplar alkaline peroxide mechanical pulp using near infrared spectroscopy and multivariate calibration” LINK

“Wavelet based calibration model building of NIR Spectroscopy for in-situ measurement of granule moisture content during fluidized bed drying” LINK

“Novel Application of Near-infrared Spectroscopy and Chemometrics Approach for Detection of Lime Juice Adulteration” LINK

“Combination of efficient signal pre-processing and optimal band combination algorithm to predict soil organic matter through visible and near-infrared spectra.” LINK




Equipment for Spectroscopy

“Handheld Near-Infrared Spectrometers: Reality and Empty Promises” LINK

“Quality assessment of instant green tea using portable NIR spectrometer.” Caffeine Catechin LINK




Environment NIR-Spectroscopy Application

“… Digital Soil Mapping models and their evaluation: A numerical experiment on Quantile Random Forest using clay contents obtained from Vis-NIR-SWIR hyperspectral …” LINK

“Physicochemical and Mineralogical Characterization of the Mediterranean Soils of Triffa Plain (Northeast of Morocco) by the Physicochemical Analysis, X-ray Diffraction and Vis-NIR Spectroscopy” LINK

“A deep learning CNN architecture applied in smart near-infrared analysis of water pollution for agricultural irrigation resources” LINK




Agriculture NIR-Spectroscopy Usage

“Feasibility study for the surface prediction and mapping of phytonutrients in minimally processed rocket leaves (Diplotaxis tenuifolia) during storage by hyperspectral …” LINK

“Sensors, Vol. 20, Pages 3438: A Compact Mid-Infrared Spectroscopy System for Healthcare Applications Based on a Wavelength-Swept, Pulsed Quantum Cascade Laser” LINK

“Near-infrared reflectance spectroscopy as a tool for breeding Andropogon gayanusKunth for forage quality” DOI: 10.9790/2380-1306015766 LINK

“Near infrared (NIR) spectroscopy as a rapid and cost-effective method for nutrient analysis of plant leaf tissues” LINK

Another fruitful collaboration with with Jeremy’s Honours literature review forms the basis of a review article in Advances in Agronomy LINK

“Vis/NIR hyperspectral imaging distinguishes sub-population, production environment, and physicochemical grain properties in rice” LINK

“Remote Sensing, Vol. 12, Pages 1920: Non-Destructive Early Detection and Quantitative Severity Stage Classification of Tomato Chlorosis Virus (ToCV) Infection in Young Tomato Plants Using VisNIR Spectroscopy” LINK




Horticulture NIR-Spectroscopy Applications

“Empirical approach to improve the prediction of soluble solids content in mango using near-infrared spectroscopy.” LINK

“Non-Destructive Quality Characterization of Peach Fruit Using Vis/NIR Spectroscopy and Multivariate Analyzing” LINK




Food & Feed Industry NIR Usage

“Development of local calibrations for the nutritional evaluation of fish meal and meat & bone meal by using near-infrared reflectance spectroscopy” LINK

“Evaluation of a hand‐held spectrophotometer as an in‐field phenotyping tool for tomato and pepper fruit quality” LINK




Other

“Ammonia Sensor Based on Vapor Phase Polymerized Polypyrrole” LINK

“Evaluation of near nfrared spectroscopy for sporozoite detection in mosquitoes infected with wild-strain parasites from asymptomatic gametocyte carriers in Kilifi Kenya” LINK



How to start building a NIR Calibration (a NIR prediction model)?

With at least 60-100 different NIR measured samples with different Lab values
we can develop a quantitative NIR Calibration for you!

You don’t need to operate with expensive Chemometric Software.
Don’t worry, prices are inexpensive for that and all software you need is included.
Price comparison

The free NIR-Predictor software allows to combine your measured NIR-Spectra with the Lab values of the samples. And checks your data and creates a Calibration Request file for you. NIR-Predictor Info

With that you can order your individual customized calibration, by sending the Calibration Request file to info@CalibrationModel.com.

After processing you will get an Email with a link to access your customize calibrations in our WebShop where you can purchase and download the calibration file immediately
for use in the included free NIR-Predictor software to get results predicted out of spectra files. NIR-Predictor software

For your Calibration start-up cycle we provide low-price short living calibrations, that work for e.g. 3 or 6 months. Pricing

During that Calibration usage time you have measured more samples and collected more NIR and Lab data to build a bigger and better calibration.
E.g. you got samples that extend the range of the constituents.
Or you have collected the Lab values of additional constituents.

Yes out of an measured NIR-Spectrum you can get multiple constituents predicted at the same time (a quantitative calibration per constituent is needed).

And NIR-Predictor does handle this with ease and creates NIR Prediction Reports (printable, archive-able) of all the calibrations you have in folder named with e.g. “MyFruitApplication”.

And having multiple such applications, in NIR-Predictor you can easily switch between the applications for analyzing new NIR spectra files.

The NIR spectra files are found from the stored or exported folder from your NIR-Spectrometer software. supported File Formats



NIR Calibration Service explained


Start Calibrate