Spectroscopy and Chemometrics News Weekly #25, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 24, 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 24, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 24, 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)

” CARACTERIZACIÓN QUIMICA DE SUELOS VOLCANICOS UTILIZANDO ESPECTROSCOPIA DE INFRARROJO CERCANO (NIRS)” LINK

“Development of an FT-NIR Method to Predict Process Cheese Functionality” LINK

“An effective classification framework for brain-computer interface system design based on combining of fNIRS and EEG signals” LINK

“Coronary artery disease and its impact on the pulsatile brain: A functional NIRS study” LINK

“Predicting anemia using NIR spectrum of spent dialysis fluid in hemodialysis patients” | LINK

“Automated Detection of Tetranychus urticae Koch in Citrus Leaves Based on Colour and VIS/NIR Hyperspectral Imaging” LINK




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

” A novel spectral index for estimating fractional cover of non-photosynthetic vegetation using near-infrared bands of Sentinel satellite” LINK

“Spatial distribution of total polyphenols in multi-type of tea using near-infrared hyperspectral imaging” LINK

“Investigation on the Mechanisms of Mg(OH)2 Dehydration and MgO Hydration by Near-Infrared Spectroscopy” LINK

“Near Infrared Reflectance Spectroscopy Analysis to Predict Diet Composition of a Mountain Ungulate Species” LINK

“Nondestructive determination of SSC in Korla Fragrant Pear using a portable near-infrared spectroscopy system” LINK

“Applied Sciences, Vol. 11, Pages 4717: 808-Nm Near-Infrared Laser Photobiomodulation versus Switched-Off Laser Placebo in Major Aphthae Management: A Randomized Double-Blind Controlled Trial” LINK

“Titration of Inspired Oxygen in Preterm Infants with Hypoxemic Respiratory Failure Using Near Infrared Spectroscopy and Pulse Oximetry: A New Approach” LINK

“Shedding light on neuroscience: Two decades of functional nearinfrared spectroscopy applications and advances from a bibliometric perspective” LINK




Hyperspectral Imaging (HSI)

“Hyperspectral Detection and Monitoring of Salt Stress in Pomegranate Cultivars” Agronomy LINK

“Applied Sciences, Vol. 11, Pages 4588: Beef Quality Grade Classification Based on Intramuscular Fat Content Using Hyperspectral Imaging Technology” LINK




Spectral Imaging

“Artificial Intelligence Empowered Multispectral Vision Based System for Non-Contact Monitoring of Large Yellow Croaker (Larimichthys crocea) Fillets” Foods LINK




Chemometrics and Machine Learning

” Assessment of chicken breast shelf life based on bench-top and portable near-infrared spectroscopy tools coupled with chemometrics” LINK

” Prediction of the particle size and flow characteristics of powder blends for tableting by near-infrared spectroscopy and chemometrics” LINK

“Antibacterial Activity of Moroccan Zantaz Honey and the Influence of Its Physicochemical Parameters Using Chemometric Tools” AppliedSciences LINK

“Predicting pectin performance strength using nearinfrared spectroscopic data: A comparative evaluation of 1D convolutional neural network, partial least squares, and ridge regression modeling” LINK

“Sequential and orthogonalized PLS (SOPLS) regression for path analysis: Order of blocks and relations between effects” LINK

“The Impacts of Spatial Resolution, Viewing Angle, and Spectral Vegetation Indices on the Quantification of Woody Mediterranean Species Seasonality Using Remote Sensing” LINK

“Partial least squares and silver nanoparticles in spectrophotometric prediction of total hardness of water” LINK

“Genetic robust kernel sample selection for chemometric data analysis” LINK




Equipment for Spectroscopy

“Nearinfrared triggered drug delivery of Imatinib Mesylate by molybdenum disulfide nanosheets grafted copolymers as thermosensitive nanocarriers” LINK




Process Control and NIR Sensors

“IQR CUSUM charts: An efficient approach for monitoring variations in aquatic toxicity” LINK




Environment NIR-Spectroscopy Application

“Study on hyperspectral estimation model of soil organic carbon content in the wheat field under different water treatments” LINK

“Ecometabolic mixture design-fingerprints from exploratory multi-block data analysis in Coffea arabica beans from climate changes: Elevated carbon dioxide and reduced soil water availability” LINK




Agriculture NIR-Spectroscopy Usage

“Integrating Straw Management and Seeding to Improve Seed Yield and Reduce Environmental Impacts in Soybean Production” Agronomy LINK

” Soil N 2 O flux and nitrification and denitrification gene responses to feed-induced differences in the composition of dairy cow faeces” | LINK




Food & Feed Industry NIR Usage

“Pulsed Electric Field (PEF) Processing of Chilled and Frozen-Thawed Lamb Meat Cuts: Relationships between Sensory Characteristics and Chemical Composition of Meat” Foods LINK




Other

“Racial Differences in Hemodynamic Responses to Lower Body Negative Pressure: The Effects of Capsaicin” LINK

“苹果可溶性固形物的可见/近红外无损检测” LINK

“Quantitative vibrational spectroscopy on liquid mixtures: concentration units matter” LINK

“Enhanced light harvesting in dyesensitized solar cells enabled by TiO2:Er3+, Yb3+ upconversion phosphor particles as solar spectral converter and light scattering medium” LINK





Spectroscopy and Chemometrics News Weekly #13, 2021

NIR Calibration-Model Services

NIRS Analytical Laboratory Method Development : Reduce Workload and Response Time | MethodDevelopment modeling LINK

Spectroscopy and Chemometrics News Weekly 12, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Application Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Service Software 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)

“Differentiation between Fresh and Thawed Cephalopods Using NIR Spectroscopy and Multivariate Data Analysis. Foods 2021, 10, 528” LINK

“Ethanol-soluble carbohydrates of cool-season grasses: prediction of concentration by near-infrared reflectance spectroscopy (NIRS) and evaluation of effects of …” LINK

“An Evaluation of Different NIR-Spectral Pre-Treatments to Derive the Soil Parameters C and N of a Humus-Clay-Rich Soil” LINK

“Prediction of Physicochemical Properties in Honeys with Portable Near-Infrared (microNIR) Spectroscopy Combined with Multivariate Data Processing” LINK

“Comparison between single and mixed-species NIRS databases’ accuracy of dairy fiber feed value detection” LINK

“Using autoencoders to compress soil VNIR–SWIR spectra for more robust prediction of soil properties” LINK

“Prediction of some quality properties of rice and its flour by near-infrared spectroscopy (NIRS) analysis.” ricequality Amylose viscosity LINK




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

“Nitrogen Management Based on Visible/Near Infrared Spectroscopy in Pear Orchards” Remote Sensing LINK

“Applications of near infrared spectroscopy for fish and fish products quality: a review” LINK

“Near Infrared Spectroscopy as a PAT Tool for Monitoring and Control of Protein and Excipient Concentration in Ultrafiltration of Highly Concentrated Antibody Formulations” LINK

“Determination of soluble solid content in market tomatoes using Near-infrared Spectroscopy” LINK

“Discriminating Coalho cheese by origin through near and middle infrared spectroscopy and analytical measures” LINK

“Current and future research directions in computer-aided near-infrared spectroscopy: A perspective” LINK

“Estimation of the Relative Abundance of Quartz to Clay Minerals Using the Visible–Near-Infrared–Shortwave- Infrared Spectral Region” LINK

“Estimating the Lactate Threshold Using Wireless Near-Infrared Spectroscopy and Threshold Detection Analyses” LINK

“Smart SelfAssembly Amphiphilic CyclopeptideDye for NearInfrared WindowII Imaging” LINK

“Application of Long-Wave Near Infrared Hyperspectral Imaging for Determination of Moisture Content of Single Maize Seed” LINK

“Near Infrared Spectroscopy as a PAT Tool for Monitoring and Control of Protein and Excipient Concentration in Ultrafiltration of Highly Concentrated Antibody …” LINK

” Achieving the potential multifunctional near-infrared materials Ca 3 In 2− x Ga x Ge 3 O 12: Cr 3+ using a solid state method” LINK

“ATR-FTIR Microspectroscopy Brings a Novel Insight Into the Study of Cell Wall Chemistry at the Cellular Level” LINK

“Development and performance tests of an on-the-go detector of soil total nitrogen concentration based on near-infrared spectroscopy” LINK

“Mid-Infrared Scattering in -Al2O3 Catalytic Powders” LINK

“Rapid tannin profiling of tree fodders using untargeted mid-infrared spectroscopy and partial least squares regression” LINK

“Intelligent evaluation of taste constituents and polyphenols-to-amino acids ratio in matcha tea powder using near infrared spectroscopy” LINK




Raman Spectroscopy

“In vivo diagnosis of skin cancer with a portable Raman spectroscopic device” LINK




Hyperspectral Imaging (HSI)

” A chemometric view of hyperspectral images” LINK




Chemometrics and Machine Learning

” A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in …” LINK

“Soil exchangeable cations estimation using Vis-NIR spectroscopy in different depths: Effects of multiple calibration models and spiking” LINK

“Prediction of Tea Theanine Content using Near-Infrared Spectroscopy and Flower Pollination Algorithm” LINK

“Predicting Oil Content In Ripe Macaw Fruits (Acrocomia Aculeata) From Unripe Ones By Near Infrared Spectroscopy And Pls Regression” LINK

“A Model Based on Clusters of Similar Color and NIR to Estimate Oil Content of Single Olives” LINK

“Quick Determination and Discrimination of Commercial Hand Sanitisers Using Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy and Chemometrics” LINK

“A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in mango fruit” LINK

“Comparative study between Partial Least Squares and Rational function Ridge Regression models for the prediction of moisture content of woodchip samples using a handheld spectrophotometer” LINK

“Classification of Lingwu long jujube internal bruise over time based on visible near-infrared hyperspectral imaging combined with partial least squares-discriminant …” LINK

“Nondestructive qualitative and quantitative analysis of Yaobitong capsule using near-infrared spectroscopy in tandem with chemometrics” LINK

“Near infrared reflectance spectroscopy: classification and rapid prediction of patchouli oil content” LINK

“Chemometric classification of geothermal and non-geothermal ethanol leaf extract of seurapoh (Chromolaena odorata Linn) using infrared spectroscopy” LINK




Process Control and NIR Sensors

“In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing, Vol. 13, Pages 1105: Water Conservation Estimation Based on Time Series NDVI in the Yellow River Basin” LINK

“A novel framework to estimate soil mineralogy using soil spectroscopy” LINK




Agriculture NIR-Spectroscopy Usage

“Pentosan polysulfate maculopathy: Prevalence, spectrum of disease, and choroidal imaging analysis based on prospective screening: Pentosan maculopathy: disease spectrum & choroidal analysis” LINK

“An Alternative Approach to Evaluate the Quality of Protein-Based Raw Materials for Dry Pet Food. Animals 2021, 11, 458” LINK

“The use of NIR sensor technology for soil test-based decision making in agriculture” LINK

“Estimation of Starch Hydrolysis in Sweet Potato (Beni haruka) Based on Storage Period Using Nondestructive Near-Infrared Spectrometry. Agriculture 2021, 11, 135” LINK

“Handheld vs. Benchtop NearInfrared Spectrometers – How Do They Compare for Analyzing Forage Nutritive Value?” LINK

“Foods, Vol. 10, Pages 612: Preliminary Insights in Sensory Profile of Sweet Cherries” LINK

“Comparing CalReg performance with other multivariate methods for estimating selected soil properties from Moroccan agricultural regions using NIR spectroscopy” LINK

“Potential of Multivariate Statistical Technique Based on the Effective Spectra Bands to Estimate the Plant Water Content of Wheat Under Different Irrigation Regimes” LINK

“Agriculture, Vol. 11, Pages 239: In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review” LINK

“Foods, Vol. 10, Pages 496: Fatty Acid Composition from Olive Oils of Portuguese Centenarian Trees Is Highly Dependent on Olive Cultivar and Crop Year” LINK

“Automated in-field leaf-level hyperspectral imaging of corn plants using a Cartesian robotic platform” LINK

“A novel compact intrinsic safety full range Methane microprobe sensor using “trans-world” processing method based on near- infrared spectroscopy” LINK

“Organic carbon in agricultural and agroforestry soils: Effect of different management practices” LINK

“Machine Learning-Based Approach to Predict Insect-Herbivory-Damage and Insect-Type Attack in Maize Plants Using Hyperspectral Data” LINK

” Spectral reflectance of marine macroplastics in the VNIR and SWIR measured in a controlled environment” LINK




Forestry and Wood Industry NIR Usage

“Chemometric development using portable molecular vibrational spectrometers for rapid evaluation of AVC (Valsa mali Miyabe et Yamada) infection of apple trees” LINK




Food & Feed Industry NIR Usage

“Quantitative Analysis of Colony Number in Mouldy Wheat based on Near Infrared Spectroscopy combined with Colorimetric Sensor” LINK




Pharma Industry NIR Usage

” Integration of transcriptomes analysis with spectral signature of total RNA for generation of affordable remote sensing of Hepatocellular carcinoma in serum …” LINK




Laboratory and NIR-Spectroscopy

” Prediction of meat quality traits in the abattoir using portable near-infrared spectrometers: heritability of predicted traits and genetic correlations with laboratory …” LINK




Other

“Ultrasonic-assisted catalytic transfer hydrogenation for upgrading pyrolysis-oil” LINK

“Quantitation of volatile aldehydes using chemoselective response dyes combined with multivariable data analysis” LINK

“Evaluation and optimization on the reflection and durability of reflective coatings for cool pavement” LINK

“Polyvinyl chloride: chemical modification and investigation of structural and thermal properties” LINK





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Spectroscopy and Chemometrics News Weekly #12, 2021

NIR Calibration-Model Services

Develop near infrared spectroscopy applications & freeing up hours of analysts time NIR NIRS QC Lab Laboratories LINK

Reduce Operating Costs & TCO of NIRS NIR-Spectroscopy in the Digitalization Age AnalyticalLabs FoodIndustry FoodScience TestingLab LaboratoryManager LabManager Laboratory Manager qualityassurance AIaaS MLaaS SaaS MachineLearning ML LINK

Spectroscopy and Chemometrics News Weekly 11, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Application Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC QualityTesting 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)

“An Evaluation of Different NIR-Spectral Pre-Treatments to Derive the Soil Parameters C and N of a Humus-Clay- Rich Soil” | LINK

“Assessment of frying oil quality by FT-NIR spectroscopy” LINK

“Differentiation between Fresh and Thawed Cephalopods Using NIR Spectroscopy and Multivariate Data Analysis” LINK

“A High Efficiency Trivalent Chromium-Doped Near-Infrared-Emitting Phosphor and Its NIR Spectroscopy Application” LINK

“Machine learning applied as an in-situ monitoring technique for the water content in oil recovered by means of NIR spectroscopy” LINK

“Prediction of a wide range of compounds concentration in raw coffee beans using NIRS, PLS and variable selection” LINK

“Fast and nondestructive determination of simultaneous physicochemical parameters of Manihot esculenta flour using FTNIR spectroscopy and multivariate analysis” LINK

“Intramuscular fat prediction of the semimembranosus muscle in hot lamb carcases using NIR.” LINK

“Fast and non‐destructive determination of simultaneous physicochemical parameters of Manihot esculenta flour using FT‐NIR spectroscopy and multivariate analysis” LINK

“Application of ANOVA-simultaneous component analysis to quantify and characterise effects of age, temperature, syrup adulteration and irradiation on near-infrared (NIR) spectral data of honey” LINK

“Near‐Infrared Spectroscopy (NIRS) and Optical Sensors for Estimating Protein and Fiber in Dryland Mediterranean Pastures” LINK

” Genetic variation of seed phosphorus concentration in winter oilseed rape and development of a NIRS calibration” | LINK

“… condition of leaves during black tea processing via the fusion of electronic eye (E-eye), colorimetric sensing array (CSA), and micro-near-infrared spectroscopy (NIRS)” LINK

“A review of the application of near-infrared spectroscopy (NIRS) in forestry” LINK




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

“Development of a passive optical heterodyne radiometer for near and mid-infrared spectroscopy” LINK

“Investigation of Active Compounds in Black Galingale (Kaempferia parviflora Wall. ex Baker) Using Color Analysis and Near Infrared Spectroscopy Techniques” LINK

” Quality control of milk powder with near-infrared spectroscopy” LINK

” An empirical investigation of deviations from the Beer-Lambert law in near-infrared spectroscopy: A case study of lactate in aqueous solutions, serum, blood and …” LINK

“Understanding the effect of urea on the phase transition of poly (N-isopropylacrylamide) in aqueous solution by temperature- dependent near-infrared spectroscopy” LINK

“Mechanically robust amino acid crystals as fiber-optic transducers and wide bandpass filters for optical communication in the near-infrared” LINK

“Optimal Combination of Band-Pass Filters for Theanine Content Prediction using Near-Infrared Spectroscopy” LINK

“Unlocking the Secrets of Terminalia Kernels Using Near-Infrared Spectroscopy” LINK

“Identification of tomatoes with early decay using visible and near infrared hyperspectral imaging and image‐spectrum merging technique” 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

“Predicting grapevine canopy nitrogen status using proximal sensors and nearinfrared reflectance spectroscopy” LINK

“Sensors, Vol. 21, Pages 1413: The Use of a Micro Near Infrared Portable Instrument to Predict Bioactive Compounds in a Wild Harvested FruitKakadu Plum (Terminalia ferdinandiana)” LINK

“Prediction of specialty coffee flavors based on nearinfrared spectra using machine and deeplearning methods” LINK

“Soil characterization by near-infrared spectroscopy and principal component analysis” LINK

“DISCRIMINATION OF INFECTED SILKWORM CHRYSALISES USING NEAR INFRARED SPECTROSCOPY COMBINED WITH MULTIVARIATE ANALYSIS DURING …” LINK

“Evaluation of melon drying using hyperspectral imaging technique in the near infrared region” LINK




Raman Spectroscopy

“Raman spectroscopy in the detection of adulterated essential oils: The case of nonvolatile adulterants” LINK




Hyperspectral Imaging (HSI)

“Combining Multi-Dimensional Convolutional Neural Network (CNN) With Visualization Method for Detection of Aphis gossypii Glover Infection in Cotton Leaves Using Hyperspectral Imaging” LINK




Chemometrics and Machine Learning

“Detection and quantification of cow milk adulteration using portable near-infrared spectroscopy combined with chemometrics” LINK

” Realizing transfer learning for updating deep learning models of spectral data to be used in a new scenario” LINK

“Employing supervised classification techniques in determining playability status of polyesterurethane magnetic audio tapes” LINK

“Detection of Adulteration in Honey by Infrared Spectroscopy and Chemometrics: Effect on Human Health” LINK

“Rapid Biochemical Methane Potential Evaluation of Anaerobic Co-Digestion Feedstocks Based on Near Infrared Spectroscopy and Chemometrics” LINK

“Application of electronic nose with chemometrics methods to the detection of juices fraud” LINK

“Anisotropic effect on the predictability of intramuscular fat content in pork by hyperspectral imaging and chemometrics” LINK

“Nondestructive qualitative and quantitative analysis of Yaobitong capsule using near-infrared spectroscopy in tandem with chemometrics.” LINK




Research on Spectroscopy

“Efficient utilization of date palm waste for the bioethanol production through Saccharomyces cerevisiae strain” LINK

” Spectral data analysis methods for soil properties assessment using remote sensing” DOI: 10.9790/0661-2301011418 LINK




Equipment for Spectroscopy

“Handheld arduino-based near infrared spectrometer for non-destructive quality evaluation of siamese oranges” LINK




Environment NIR-Spectroscopy Application

“Estimation of Soil Salt and Ion Contents Based on Hyperspectral Remote Sensing Data: A Case Study of Baidunzi Basin, China. Water 2021, 13, 559” LINK

“Spectroscopic anatomical mapping of left atrium endocardial substrate and lesion using an optically integrated mapping catheter”LINK

“Predicting the contents of soil salt and major water-soluble ions with fractional-order derivative spectral indices and variable selection” LINK

“Mid-Infrared Spectroscopy Supports Identification of the Origin of Organic Matter in Soils. Land 2021, 10, 215” LINK




Agriculture NIR-Spectroscopy Usage

“Identification and classification of Asian soybean rust using leaf-based hyperspectral reflectance” LINK

“Diagnosis of early blight disease in tomato plant based on visible/near-infrared spectroscopy and principal components analysis-artificial neural network prior to visual …” LINK

“Fourier Transform Infrared Spectroscopy as a Tool to Study Milk Composition Changes in Dairy Cows Attributed to Housing Modifications to Improve Animal Welfare” LINK

“Detection of soil organic matter using hyperspectral imaging sensor combined with multivariate regression modeling procedures” LINK

“Corrigendum to: Optimisation of dry matter and nutrients in feed rations through use of a near-infrared spectroscopy system mounted on a self-propelled feed mixer” LINK

“staling of white wheat bread crumb and effect of maltogenic α-amylases. part 3: spatial evolution of bread staling with time by near infrared hyperspectral imaging” LINK

” Prediction performance of portable near infrared reflectance instruments using preprocessed dried, ground forage samples” LINK




Food & Feed Industry NIR Usage

“Near Infrared (NIR) Spectroscopy as a Tool to Assess Blends Composition and Discriminate Antioxidant Activity of Olive Pomace Cultivars” LINK

“Enhanced moisture loss and oil absorption of deep-fried food by blending extra virgin olive oil in rapeseed oil” LINK




Pharma Industry NIR Usage

“GRAZING PATTERNS, DIET QUALITY, AND PERFORMANCE OF COW-CALF PAIRS GRAZING SHORT GRASS PRAIRIE USING CONTINUOUS OR HIGH …” LINK

“PENDUGAAN KADAR PATCHOULI ALCOHOL PADA MINYAK NILAM HASIL FRAKSINASI MENGGUNAKAN METODE PRINCIPAL COMPONENT REGRESSION” LINK




Medicinal Spectroscopy

“Noninvasive Monitoring of Glucose Using Near-Infrared Reflection Spectroscopy of Skin-Constraints and Effective Novel Strategy in Multivariate Calibration” 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



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 #34, 2020

NIR Calibration-Model Services

Got a NIRspectrometer and need help for application development? chemometrics multivariate prediction NIRS LINK

Spectroscopy and Chemometrics News Weekly 33, 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 33, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 33, 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)

“Using visible near-infrared reflectance spectroscopy (VNIRS) of lake sediments to estimate historical changes in cyanobacterial production: potential and challenges” LINK

“Inversion of soil heavy metals in Guanzhong area of Shaanxi based on VIS-NIR spectroscopy” LINK




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

“In-field measurement of starch content of cassava tubers using handheld vis-near infrared spectroscopy implemented for breeding programmes” LINK

“Near-infrared reflectance spectroscopy-based fast versicolorin A detection in maize for early aflatoxin warning and safety sorting.” LINK

“Egg freshness prediction using a comprehensive analysis based on visible near infrared spectroscopy” LINK

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

“Signal-to-Noise Ratio Contributors and Effects in Proximal Near-Infrared Spectral Reflectance Measurement on Plant Leaves” LINK

“Non-destructive analysis of Japanese table grape qualities using near-infrared spectroscopy” LINK

“Classifying Cannabis Sativa Flowers, Stems and Leaves using Statistical Machine Learning with Near-Infrared Hyperspectral Reflectance Imaging” LINK

“Near infrared spectroscopy to evaluate change in color and chemical composition in heat-treated bamboo” LINK

“Mid-Infrared Reflectance Spectroscopy of Oil Sands Minerals Based on Tunable Quantum Cascade Lasers” LINK

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

“Near-Infrared Reflectance Spectroscopy-based Fast Versicolorin A Detection in Maize for Early Aflatoxin Warning and Safety Sorting” LINK

“Near-Infrared Spectroscopy in Bio-Applications” LINK




Raman Spectroscopy

“Sensors, Vol. 20, Pages 3723: High-Throughput Phenotyping Approach for Screening Major Carotenoids of Tomato by Handheld Raman Spectroscopy Using Chemometric Methods” LINK

“Chemical Bleaching to Minimize Fluorescence Interference in Raman Spectroscopic Measurements for Sulfonated Polystyrene Solutions” LINK




Hyperspectral Imaging (HSI)

“Comparison between Hyperspectral Imaging and Chemical Analysis of Polyphenol Oxidase Activity on Fresh-Cut Apple Slices” LINK




Chemometrics and Machine Learning

“Food Quality Assessed by Chemometrics” LINK

“Foods, Vol. 9, Pages 880: HPLC-Based Chemometric Analysis for Coffee Adulteration” LINK

“Foods, Vol. 9, Pages 876: Non-Targeted Detection of Adulterants in Almond Powder Using Spectroscopic Techniques Combined with Chemometrics” LINK

“Model-Based Process Optimization for the Production of Macrolactin D by Paenibacillus polymyxa” LINK

“Rapid detection model of Bacillus subtilis in solid-state fermentation of rapeseed meal” LINK

“Machine Learning Modeling of Wine Sensory Profiles and Color of Vertical Vintages of Pinot Noir Based on Chemical Fingerprinting, Weather and Management Data.” LINK

“Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids” LINK

“Identification and Quantification of Adulterants in Coffee (Coffea arabica L.) Using FT-MIR Spectroscopy Coupled with Chemometrics” Foods LINK




Equipment for Spectroscopy

“Rapid and Robust OnScene Detection of Cocaine in Street Samples using a Handheld Near Infrared Spectrometer and Machine Learning Algorithms” LINK

“Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer Under Modulated–Pulsed Light Source Excitation” LINK




Agriculture NIR-Spectroscopy Usage

“RobHortic: A Field Robot to Detect Pests and Diseases in Horticultural Crops by Proximal Sensing” Agriculture LINK

“… Agriculture Technology and Farm Data: A Case Study on Swedish Grain Farmers and On-Combine Near-Infrared Spectroscopy for Quality Measurement” LINK




Chemical Industry NIR Usage

“Benzothiadiazole Bridged EDOT Based Donor-Acceptor Polymers With Tunable Optical, Electrochemical, Morphological and Electrochromic Performance: Effects of …” LINK




Pharma Industry NIR Usage

“Validation and comparison of different near-infrared quantitative methods to rapid determination of the total content of anthraquinones in Rhubarb based on accuracy …” LINK

“Feature Selection and Rapid Characterization of Bloodstains on Different Substrates” LINK




Other

“Application of Optical Technologies in the US Poultry Slaughter Facilities for the Detection of Poultry Carcass Condemnation.” LINK





Spectroscopy and Chemometrics News Weekly #33, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 32, 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 32, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 32, 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

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Near-Infrared Spectroscopy (NIRS)

“Integrated soluble solid and nitrate content assessment of spinach plants using portable NIRS sensors along the supply chain” LINK

“Evaluation of Near Infrared Spectroscopy (NIRS) and Remote Sensing (RS) for Estimating Pasture Quality in Mediterranean Montado Ecosystem” LINK

“Evaluation of Homogeneity in Drug Seizures Using Near-Infrared (NIR) Hyperspectral Imaging and Principal Component Analysis (PCA)”LINK

“FT-NIRS Coupled with PLS Regression as a Complement to HPLC Routine Analysis of Caffeine in Tea Samples” Foods LINK




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

“Model based optimization of transflection near infrared spectroscopy as a process analytical tool in a continuous flash pasteurizer” LINK

“EXPRESS: Monitoring Polyurethane Foaming Reactions Using Near-Infrared Hyperspectral Imaging” LINK

“Near-infrared spectroscopy for monitoring free jejunal flap.” LINK

“Real-Time and Online Inspection of Multiple Pork Quality Parameters Using Dual-Band Visible/N ear-Infrared Spectroscopy” LINK

“An approach to quantify natural durability of Eucalyptus bosistoana by near infrared spectroscopy for genetic selection” LINK

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

“Non‐invasive quality analysis of thawed tuna using near infrared spectroscopy with baseline correction” LINK




Raman Spectroscopy

“Low-Content Quantitation in Entecavir Tablets Using 1064 nm Raman Spectroscopy” LINK




Hyperspectral Imaging (HSI)

“Detecting defects on cheese using hyperspectral image analysisLINK

“Non-destructive discrimination of the variety of sweet maize seeds based on hyperspectral image coupled with wavelength selection algorithm” LINK

“Hyperspectral Imaging from a Multipurpose Floating Platform to Estimate Chlorophyll-a Concentrations in Irrigation Pond Water” Remote Sensing LINK

“Alfalfa Yield Prediction Using UAV-Based Hyperspectral Imagery and Ensemble Learning” LINK




Chemometrics and Machine Learning

“Maintaining the predictive abilities of near-infrared spectroscopy models for the determination of multi-parameters in White Paeony Root” LINK

“Machine Learning Modeling of Wine Sensory Profiles and Color of Vertical Vintages of Pinot Noir Based on Chemical Fingerprinting, Weather and Management Data” Sensors LINK

“Authentication of the Geographical Origin of “Vallerano” Chestnut by Near Infrared Spectroscopy Coupled with Chemometrics” LINK




Agriculture NIR-Spectroscopy Usage

“Relationship between chemical composition and standardized ileal digestible amino acid contents of corn grain in broiler chickens” LINK

“NIR spectroscopy and management of bioactive components, antioxidant activity, and macronutrients in fruits” LINK

“Determination of mechanical properties of whey protein films during accelerated aging: Application of FTIR profiles and chemometric tools” LINK

“A portable IoT NIR spectroscopic system to analyze the quality of dairy farm forage” LINK

“Exploring Relevant Wavelength Regions for Estimating Soil Total Carbon Contents of Rice Fields in Madagascar from Vis-NIR Spectra with Sequential Application of …” LINK

“Applied Sciences, Vol. 10, Pages 4345: Observation of Potential Contaminants in Processed Biomass Using Fourier Transform Infrared Spectroscopy” LINK

“Animals, Vol. 10, Pages 1095: Comparison of Fatty Acid Proportions Determined by Mid-Infrared Spectroscopy and Gas Chromatography in Bulk and Individual Milk Samples” LINK

“Manipulation of Fruit Dry Matter via Seasonal Pruning and Its Relationship to dAnjou Pear Yield and Fruit Quality” Agronomy LINK




Forestry and Wood Industry NIR Usage

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




Food & Feed Industry NIR Usage

“Analysis of sorghum content in corn–sorghum flour bioethanol feedstock by near infrared spectroscopy” LINK

“Quantitative detection of fatty acid value during storage of wheat flour based on a portable near-infrared (NIR) spectroscopy system” LINK

“Integration of spectra and image features of Vis/NIR hyperspectral imaging for prediction of deoxynivalenol contamination in whole wheat flour” LINK

“Ongoing Research on Microgreens: Nutritional Properties, Shelf-Life, Sustainable Production, Innovative Growing and Processing Approaches” Foods LINK




Pharma Industry NIR Usage

“Direct Catalytic Fuel Cell Device Coupled to Chemometric Methods to Detect Organic Compounds of Pharmaceutical and Biomedical Interest” Sensors LINK




Laboratory and NIR-Spectroscopy

“Application of infrared microscopy and alternating least squares to the forensic analysis of automotive paint chips” LINK




Other

“Phenotypic plasticity and nonstructural carbohydrates in annual growth rings of the australian red cedar clones in contrasting enviroments” LINK





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





How to Develop and use your NIR Calibration Models to get useful Results

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2. Just send your calibration-request created with free NIR-Predictor to us.

3. When your calibration is developed and optimized you receive a link to download it.

4. You can use the calibration to predict with free NIR-Predictor as many NIR data files as you like without internet.


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  • all the complex mathematical / statistical / chemometric / machine learning experts know-how
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Cost comparison / Price comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy

Reduce Operating Costs and Total Cost of Ownership (TCO) of NIR-Spectroscopy (NIRS) in the Digitalization Age.
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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 Package not‑needed
€3500 – €6500 per user
Chemometric Predictor
free‑software
€1500 – €2500 per NIR device
Knowledge
included
Chemometric Training not‑needed
€1500 – €2500 per user
Chemometrician* Salary not‑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

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*) 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