Spectroscopy and Chemometrics/Machine-Learning News Weekly #43, 2021

NIR Calibration-Model Services

Espectroscopia e Quimiometria/Máquina-Aprendizagem Semanal 42, 2021 | NIRS NIR Spectroscopia MaquinaLearning Espectrometria Analítica Química Análise Lab Labs Laboratórios Laboratório Software IoT Sensores QA QC Teste Qualidad LINK

Noticias semanales sobre espectroscopia y quimiometría 42, 2021 | NIRS NIR Espectroscopia AprendizajeMáquina Espectrómetro Espectrométrico Analítica Química Análisis Laboratorio Laboratorios Software IoT Sensores QA QC Testing Calidad LINK

Spectroscopy and Chemometrics News Weekly 42, 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 42, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 42, 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.

Еженедельник новостей спектроскопии и хемометрии/машинного обучения LINK

光谱学和化学计量学/机器学习新闻周刊 | 近红外光谱 机器学习光谱仪 光谱分析化学 化学分析实验室 实验室 实验室软件 物联网传感器 QA QC 测试质量 LINK

分光法とケモメトリックス/機械学習ニュースウィークリー | NIR-分光法機械学習分光計分光分析化学化学分析ラボラボラボラボラボソフトウェアIoTセンサーQAQCテスト品質 LINK




Near-Infrared Spectroscopy (NIRS)

“Rapid prediction of soil available sulphur using visible near-infrared reflectance spectros copy” LINK

“Multispectral and Hyperspectral Reflectance Imaging Spectrometry (VIS, VNIR, SWIR) in Painting Analyses: Undergraduate Teaching and Interfacial Undergraduate …” LINK

“The effectiveness of drug-coated balloons for two dissimilar calcific lesions assessed by near-infrared spectroscopy intravascular ultrasound and optical coherence …” LINK

“The visible and near-infrared optical absorption coefficient spectrum of Parylene C measured by transmitting light through thin films in liquid filled cuvettes” thinfilms LINK

“Predicting heavy metals in dark sun-cured tobacco by near-infrared spectroscopy modeling based on the optimized variable selections” LINK

“Penentuan Indeks Panen Buah Jambu Kristal secara Non Destruktif dengan Spektroskopi NIR” LINK

“In vivo non-invasive near-infrared spectroscopy distinguishes normal, post-stroke, and botulinum toxin treated human muscles” LINK

“Soil Classification Based on Deep Learning Algorithm and Visible Near-Infrared Spectroscopy” | LINK

“… SERAT KASAR DEDAK PADI MENGGUNAKAN JARINGAN SYARAF TIRUAN (JST) BERDASARKAN DATA ABSORBAN NIRS (NEAR INFRARED REFLECTANCE …” LINK

“Correlation of Near-Infrared Spectroscopy Oximetry and Corresponding Venous Oxygen Saturations in Children with Congenital Heart Disease” | LINK

“High Near-Infrared Reflectance Orange Pigments of Fe-Doped La2W2O9: Preparation, Characterization, and Energy Consumption Simulation” LINK




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

“On the Limit of Detection in Infrared Spectroscopic Imaging” LINK

“Minerals : Coupled Substitutions in Natural MnO(OH) Polymorphs: Infrared Spectroscopic Investigation” LINK

“Sensors : Application of High-Speed Quantum Cascade Detectors for Mid-Infrared, Broadband, High-Resolution Spectroscopy” LINK

“Infrared Spectroscopy and Chemometric Applications for the Qualitative and Quantitative Investigation of Grapevine Organs” | LINK

“Aging Pacific cod (Gadus macrocephalus) from otoliths using Fourier‐transformed near‐infrared spectroscopy” LINK




Hyperspectral Imaging (HSI)

“CHEMOMETRIC STRATEGIES FOR NEAR INFRARED HYPERSPECTRAL IMAGING ANALYSIS: CLASSIFICATION OF SEED GENOTYPES” LINK

“Near-infrared hyperspectral imaging technology combined with deep convolutional generative adversarial network to predict oil content of single maize kernel” LINK

“Detecting total acid content quickly and accurately by combining hyperspectral imaging and an optimized algorithm method” LINK

“Hyperspectral-enhanced dark field analysis of individual and collective photo-responsive gold-copper sulfide nanoparticles” LINK

“Ripeness evaluation of kiwifruit by hyperspectral imaging” LINK

“Hyperspectral reflectance imaging for water content and firmness prediction of potatoes by optimum wavelengths” | LINK

“Soluble solid content and firmness index assessment and maturity discrimination of Malus micromalus Makino based on near-infrared hyperspectral imaging” LINK




Chemometrics and Machine Learning

“Comparison of variable selection methods in predictive models applied to near-infrared and genomic data” LINK

“Building kinetic models to determine moisture content in apples and predicting shelf life based on spectroscopy” LINK

“Applied Sciences : Sample Reduction for Physiological Data Analysis Using Principal Component Analysis in Artificial Neural Network” LINK

“MultiTempLSTM: prediction and compression of multitemporal hyperspectral images using LSTM networks” LINK




Facts

“Stop Sending Samples” Off to the Lab” for Analysis: A Machine Learning Solution” LINK




Research on Spectroscopy

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




Process Control and NIR Sensors

“Microcirculatory Monitoring to Assess Cardiopulmonary Status” | LINK

“Advanced Process Analytical Tools for Identification of Adulterants in Edible Oils-A Review” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing : Fine-Scale Sea Ice Segmentation for High-Resolution Satellite Imagery with Weakly-Supervised CNNs” LINK

“Plants : Water Spectral Patterns Reveals Similarities and Differences in Rice Germination and Induced Degenerated Callus Development” LINK

“Remote Sensing : Combining Remote Sensing and Meteorological Data for Improved Rice Plant Potassium Content Estimation” LINK




Agriculture NIR-Spectroscopy Usage

“Nutrients : Plant-Derived and Dietary Hydroxybenzoic AcidsA Comprehensive Study of Structural, Anti-/Pro-Oxidant, Lipophilic, Antimicrobial, and Cytotoxic Activity in MDA-MB-231 and MCF-7 Cell Lines” LINK




Horticulture NIR-Spectroscopy Applications

“Biology : Phylogenetic Analysis and Genetic Diversity of Colletotrichum falcatum Isolates Causing Sugarcane Red Rot Disease in Bangladesh” LINK




Food & Feed Industry NIR Usage

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

“Technological innovations or advancement in detecting frozen and thawed meat quality: A review” LINK




Laboratory and NIR-Spectroscopy

“Separations : Quality Assessment of Camellia oleifera Oil Cultivated in Southwest China” LINK




Other

“A Strategy to Detect and Monitor Coca Production in Colombia, Peru, and Bolivia” LINK

“Measuring Nd(III) Solution Concentration in the Presence of Interfering Er(III) and Cu(II) Ions: A Partial Least Squares Analysis of UltravioletVisible Spectra” UVvis Ultraviolet LINK

“Spectral Properties of Anhydrous Carbonates and Nitrates” LINK

“การจำแนกสายพันธุ์อ้อยด้วยการตรวจวัดลำอ้อยโดยใช้เครื่องอินฟาเรดย่านใกล้สเปกโทรมิเตอร์แบบพกพา” 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 #37, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 36, 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 36, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 36, 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)

“NIR Spectroscopic Techniques for Quality and Process Control in the Meat Industry” LINK

“Estimating coefficient of linear extensibility using Vis–NIR reflectance spectral data: Comparison of model validation approaches” LINK

“NIR spectroscopy and chemometric tools to identify high content of deoxynivalenol in barley” LINK

“Combining multivariate method and spectral variable selection for soil total nitrogen estimation by Vis–NIR spectroscopy” LINK

“Multi-task deep learning of near infrared spectra for improved grain quality trait predictions” LINK

“Multi-factor Fusion Models for Soluble Solid Content Detection in Pear (Pyrus bretschneideri ‘Ya’) Using Vis/NIR Online Half-transmittance Technique” LINK

“Determining regression equations for predicting the metabolic energy values of barley-producing cultivars in Iran and comparing the results with the results of NIRS method and cultivars …” LINK

“Using Near-Infrared Reflectance Spectroscopy (NIRS) to Predict Glucobrassicin Concentrations in Cabbage and Brussels Sprout Leaf Tissue” LINK

“Near-Infrared Spectroscopy for Analyzing Changes of Pulp Color of Kiwifruit in Different Depths” LINK

“Novel NIR modeling design and assignment in process quality control of Honeysuckle flower by QbD” LINK




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

“Near-infrared spectroscopy to determine cold-flow improver concentrations in diesel fuel” LINK

“Improving spatial synchronization between X-ray and near-infrared spectra information to predict wood density profiles” LINK

“Functional principal component analysis for near-infrared spectral data: a case study on Tricholoma matsutakeis” LINK

“Midinfrared spectroscopy as a tool for realtime monitoring of ethanol absorption in glycols” LINK

“Inline characterization of dispersion uniformity evolution during a twinscrew blending extrusion based on nearinfrared spectroscopy” LINK

“Development of Fourier Transform near Infrared Spectroscopy Methods for the Rapid Quantification of Starch and Cellulose in Mozzarella and Other Italian-Type CHEESES” LINK

“Prediction of Anthocyanin Content in Three Types of Blueberry Pomace by Near-Infrared Spectroscopy” LINK

“Sweetness Detection and Grading of Peaches and Nectarines by Combining Short-and Long-Wave Fourier-Transform Near-Infrared Spectroscopy” LINK




Spectral Imaging

“Use of UAS Multispectral Imagery at Different Physiological Stages for Yield Prediction and Input Resource Optimization in Corn” Remote Sensing LINK




Chemometrics and Machine Learning

“Combination of visible reflectance and acoustic response to improve nondestructive assessment of maturity and indirect prediction of internal quality of redfleshed pomelo” LINK

“Green Analytical Methods of Antimalarial Artemether-Lumefantrine Analysis for Falsification Detection Using a LowCost Handled NIR Spectrometer with DD-SIMCA and Drug Quantification by HPLC” LINK

“Data fusion of UPLC data, NIR spectra and physicochemical parameters with chemometrics as an alternative to evaluating kombucha fermentation” LINK

“Effect of physicochemical factors and use of milk powder on milk rennet-coagulation: Process understanding by near infrared spectroscopy and chemometrics” LINK

“A Digital Approach to Model Quality and Sensory Traits of Beers Fermented under Sonication Based on Chemical Fingerprinting” LINK

“Latent Variable Graphical Modeling for High Dimensional Data Analysis” LINK




Equipment for Spectroscopy

“Evaluation of Salmon, Tuna, and Beef Freshness Using a Portable Spectrometer” Sensors LINK

“Developing a soil spectral library using a low-cost NIR spectrometer for precision fertilization in Indonesia” LINK

“Compact Solid Etalon Computational Spectrometer: FY19 Optical Systems Technology Line-Supported Program” LINK




Agriculture NIR-Spectroscopy Usage

“Detection of Melamine Adulteration in Milk Powder by Using Optical Spectroscopy Technologies in the Last Decade—a Review” LINK




Horticulture NIR-Spectroscopy Applications

“Accurate non-destructive prediction of peach fruit internal quality and physiological maturity with a single scan using near infrared spectroscopy” LINK

“Recent Advances in Spectral Analysis Techniques for Non-Destructive Detection of Internal Quality in Watermelon and Muskmelon: A Review” “光谱分析在西甜瓜内部品质无损检测中的研究进展” LINK




Food & Feed Industry NIR Usage

“Detection of fraud in highquality rice by nearinfrared spectroscopy” LINK

“Detecting food fraud in extra virgin olive oil using a prototype portable hyphenated photonics sensor” LINK

“Nondestructive detection of sunset yellow in cream based on near-infrared spectroscopy and interval random forest” LINK




Other

“The Detection of Substitution Adulteration of Paprika with Spent Paprika by the Application of Molecular Spectroscopy Tools.” LINK

“The Effect of Monomers on the Recognition Properties of Molecularly Imprinted Beads for Proto-hypericin and Proto-pseudohypericin” | FLOREA GAVRILA 1 20.pdf 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

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




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