Spectroscopy and Chemometrics News Weekly #17, 2021

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Spectroscopy and Chemometrics News Weekly 16, 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

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Near-Infrared Spectroscopy (NIRS)

“Enhanced quality monitoring during black tea processing by the fusion of NIRS and computer vision” LINK

“Solvent-Free Determination of TPH in Soil by Near-Infrared Reflectance Spectroscopy Solvent-Free Determination of TPH in Soil by Near-Infrared Reflectance …” LINK

“A novel NIRS modelling method with OPLS-SPA and MIX-PLS for timber evaluation” LINK

” Integrated NIRS and QTL assays reveal minor mannose and galactose as contrast lignocellulose factors for biomass enzymatic saccharification in rice” LINK

“Visible-NIR Spectral Characterization and Grade Inversion Modelling Study of the Derni Copper Deposit” LINK

“A Hyphenated Approach Combining Pressure-Decay and In Situ FT-NIR Spectroscopy to Monitor Penetrant Sorption and Concurrent Swelling in Polymers” LINK

“Application of FT-NIR spectroscopy for evaluation of feeds digestibility by analysis of feces chemical composition” LINK

“Rapid and cost-effective nutrient content analysis of cotton leaves using near-infrared spectroscopy (NIRS)” | LINK


“Uso da espectroscopia de infravermelho próximo com Transformada de Fourier (FT-NIR) para acompanhar o processo de Tristeza Parasitária Bovina” LINK

“Transfer learning and wavelength selection method in NIR spectroscopy to predict glucose and lactate concentrations in culture media using VIP‐Boruta” LINK

“Handheld short-wavelength NIR spectroscopy for rapid determination of sugars and carbohydrate in fresh juice with Sampling Error Profile Analysis” LINK

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

“Intracranial Traumatic Hematoma Detection in Children Using a Portable Near-infrared Spectroscopy Device” LINK

” Convolutional Neural Networks for Quantitative Prediction of Different Organic Materials using Near-Infrared Spectrum” LINK

“Influences of bioplastic polylactic acid on near-infrared-based sorting of conventional plastic” LINK

“Multi-Way Analysis Coupled with Near-Infrared Spectroscopy in Food Industry: Models and Applications” LINK

” Can a smartphone near-infrared spectroscopy sensor predict days on feed and marbling score?” LINK

“Cross-laminated Timber Design by Flattened Bamboo based on Near-infrared Spectroscopy and Finite Element Analysis” LINK

“Applied Sciences, Vol. 11, Pages 2991: Radiation Effects on Pure-Silica Multimode Optical Fibers in the Visible and Near-Infrared Domains: Influence of OH Groups” LINK

“Selectivity and Sensitivity of Near-Infrared Spectroscopic Sensing of beta-Hydroxybutyrate, Glucose, and Urea in Ternary Aqueous Solutions” LINK

“Detection of fraud in lime juice using pattern recognition techniques and FTIR spectroscopy” LINK

“Estimation Method for Mass Transfer Coefficient Distribution using Near-Infrared Spectroscopy” LINK

“Discrimination of Infected Silkworm Chrysalises using Near-Infrared Spectroscopy Combined with Multivariate Analysis during the Cultivation of Cordyceps militaris” LINK

“Detecting melamineadulterated raw milk by using nearinfrared transmission spectroscopy” LINK

“Use of near-infrared spectroscopy for prediction of chemical composition of Tifton 85 grass” LINK

“Detection of Adulteration in Infant Formula Based on Ensemble Convolutional Neural Network and Near-Infrared Spectroscopy” LINK

Raman Spectroscopy

“Surface-Enhanced Raman scattering of methylene blue on titanium nitride nanoparticles synthesized by laser ablation in organic solvents” LINK

Hyperspectral Imaging (HSI)

“Fast Unmixing and Change Detection in Multitemporal Hyperspectral Data” LINK

” Forensic analysis of beverage stains using hyperspectral imaging” LINK

“A comprehensive review of hyperspectral data fusion with LiDAR and SAR data” LINK

“Near-infrared hyperspectral imaging (NIR-HSI) and normalized difference …” LINK

“Soil monitoring for precision farming using hyperspectral remote sensing and soil sensors” LINK

Terahertz Spectroscopy

“Multivariate Analysis of the Composition of Pharmaceutical Products Based on Terahertz Time-Domain Spectroscopy” LINK

Chemometrics and Machine Learning

“Scalable Marginal Likelihood Estimation for Model Selection in Deep Learning. (arXiv:2104.04975v1 [stat.ML])” LINK

“Can Coupling Multiple Complementary Methods Improve the Spectroscopic Based Diagnosis of Gastrointestinal Illnesses? A Proof of Principle Ex Vivo Study Using Celiac Disease as the Model Illness” LINK

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

“Prediction of various soil properties for a national spatial dataset of Scottish soils based on four different chemometric approaches: A comparison of near infrared and mid-infrared spectroscopy” LINK

“An Open Source Low-Cost Device Coupled with an Adaptative Time-Lag Time-Series Linear Forecasting Modeling for Apple Trentino (Italy) Precision Irrigation” Sensors LINK

“Evaluation of aqua MODIS thermal emissive bands stability through radiative transfer modeling” LINK

“Spectroscopy and Photochemistry of Copper Nitrate Clusters” LINK

Optics for Spectroscopy

“… using a combination of reverse phase high-performance liquid chromatography coupled to diode-array detector (RP-HPLC-DAD) and near-infrared spectroscopy  …” LINK

Research on Spectroscopy

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

Process Control and NIR Sensors

“Printing and Laser Curing of Ag and Cu Paste-Prospects and Challenges in Additive Manufacturing” LINK

“Application of Spectrometric Technologies in the Monitoring and Control of Foods and Beverages” OpenAccess LINK

Environment NIR-Spectroscopy Application

“ME-Net: A Deep Convolutional Neural Network for Extracting Mangrove Using Sentinel-2A Data” RemoteSensing LINK

“Mapping soil organic carbon stock by hyperspectral and time-series multispectral remote sensing images in low-relief agricultural areas” LINK

“Effect of slurry used with soil conditioners and fertilizers on structural, non‐structural carbohydrate and lignin content” LINK

“Rapid Detection of Salmonella typhimurium in Drinking Water by a White Light Reflectance Spectroscopy Immunosensor” Sensors LINK

“Fusion of Three Optical Sensors for Nondestructive Detection of Water Content in Lettuce Canopies” LINK

Agriculture NIR-Spectroscopy Usage

“Discrimination of soils managed with different sources of fertilization and plant species in organic and conventional farming through near-infrared spectroscopy and chemometrics” LINK

“In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review. Agriculture 2021, 11, 239” LINK

” Food recognition improvement by using hyper-spectral imagery” LINK

“Zero-Gradient Constrained Optimization for Destriping of 3D Imaging Data” LINK

“Hyperspectral Imaging for Identification of an Invasive Plant Mikania micrantha Kunth” LINK


” Fast Determination of the Rubber Content in Taraxacum Kok-Saghyz Fresh Biomass Using Portable Near Infrared Spectroscopy and Pyrolysis-Gas …” |) LINK

“Discrimination of soils managed with different sources of fertilization and plant species in organic and conventional farming through nearinfrared spectroscopy and chemometrics” LINK

“Application of near infrared spectroscopy for determination of relationship between crop year, maturity group, and location on carbohydrate composition in soybeans” LINK

Food & Feed Industry NIR Usage

“The quality and shelf life of biscuits with cryo‐ground proso millet and buckwheat by‐products” LINK

“Quantitative analysis of colony number in mouldy wheat based on near infrared spectroscopy combined with colorimetric sensor” LINK

Beverage and Drink Industry NIR Usage

“Clay coatings on sands in the western Qaidam Basin, Tibetan Plateau, China: Implications for the Martian clay detection” LINK

Laboratory and NIR-Spectroscopy

“The potential of handheld near infrared spectroscopy to detect food adulteration: Results of a global, multi-instrument inter-laboratory study” LINK


“Influence of γ-ray exposure and dose dependent characteristics of (n) PbS-(p) Si hetero-structure” LINK

“Interval selection: A casestudybased approach” LINK

” The Relation Of İntraoperative Renal Oxygen Saturation Change With Postoperative Acute Kidney İnjury” LINK

“Acoustically‐Propelled Rodlike Liquid Metal Colloidal Motors” LINK

“Application of near” LINK

” Impact of Source to Substrate Distance on the Properties of Thermally Evaporated CdS Film” LINK

“Stability in solution and chemoprotection by octadecavanadates(IV/V) in E. coli cultures” LINK


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


“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



Medicinal Spectroscopy

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

Spectroscopy and Chemometrics News Weekly #39, 2020

NIR Calibration-Model Services

Safe Cost and Time with new NIR Model Development and Maintenance in the Analytical Testing Laboratory. | NIRS NIR instruments Spectrometer Infrared Spectroscopy Food Feed Dairy Sample Analysis Analytical Testing Laboratory LINK

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Spectroscopy and Chemometrics News Weekly 38, 2020 | 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)

“Determination of green pea and spinach adulteration in pistachio nuts using NIR spectroscopy” LINK

“Improved prediction of ‘Kent’ mango firmness during ripening by near-infrared spectroscopy supported by interval partial least square regression” LINK

“Phytochemical composition and variability in Quercus ilex acorn morphotypes as determined by NIRS and MS-based approaches” LINK

“FT-NIR spectroscopy and RP-HPLC combined with multivariate analysis reveals differences in plant cell suspension cultures of Thevetia peruviana treated with …” LINK

“Combination of Convolutional Neural Networks and Recurrent Neural Networks for predicting soil properties using Vis–NIR spectroscopy” LINK

“Non-destructive determination of the main chemical components of red dragon fruit peel flour by using Near-Infrared Reflectance Spectroscopy (NIRS)” LINK

“Comparative VIS and NIR Raman and FTIR Spectroscopy of Lunar Analog Samples” LINK

“NearInfrared spectroscopy (NIRS) applications for high throughput phenotyping (HTP) for cassava and yam: A review” LINK

“Near infrared spectroscopy for rapid determination of solids content of amino resins” LINK

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

“Dual-slope imaging in highly scattering media with frequency-domain near-infrared spectroscopy.” LINK

“Non-destructive measurement of apple internal quality by using near-infrared spectroscopy” | LINK

“Feasibility Study on Use of Near Infrared Spectroscopy for Rapid and Non-Destructive Determination of Gossypol Content in Intact Cottonseeds” LINK


“The use of infrared spectroscopy and machine learning tools for detection of Meloidogyne infestations” LINK

“simultaneous determination of moisture and berberine content in Coptidis Rhizoma and Phellodendri Chinensis Cortex by near-infrared spectroscopy” LINK

Raman Spectroscopy

Epic video for OpenRAMAN to celebrate first year on Patreon! LINK

Hyperspectral Imaging (HSI)

“Hyperspectral Imaging Coupled with Multivariate Analysis and Image Processing for Detection and Visualisation of Colour in Cooked Sausages Stuffed in Different …” LINK

Spectral Imaging

Point of care (POC) testing is designed to diagnose patients in the field, rather than in a medical facility. Ocean Insight offers highly integrated multispectral sensors reduces the complexity, footprint and cost of PCR instrumentation. Learn more: LINK

Chemometrics and Machine Learning

“Probabilistic classification models for the in situ authentication of Iberian pig carcasses using Near Infrared Spectroscopy” LINK

“Application of Chemometrics in Biosensing: A Brief Review” Biosensors LINK

“Rapid monitoring approaches for concentration process of lanqin oral solution by near-infrared spectroscopy and chemometric models.” LINK

“Establishment of Near-Infrared Prediction Models for Toluene Insoluble Substance and Other 3 Indexes of Medium Temperature Coal Pitch” LINK

“Modified selfadaptive model for improving the prediction accuracy of soil organic matter using laserinduced breakdown spectroscopy” LINK

“A Comparative Study of PLSR and SVM-R with Various Preprocessing Techniques for the Quantitative Determination of Soluble Solids Content of Hardy Kiwi Fruit by a Portable Vis/NIR Spectrometer.” LINK

“A Brief History of Whiskey Adulteration and the Role of Spectroscopy Combined with Chemometrics in the Detection of Modern Whiskey Fraud” LINK

Research on Spectroscopy

“Continuous and real-time indoor and outdoor methane sensing with portable optical sensor using rapidly pulsed IR LEDs.” LINK

Equipment for Spectroscopy

“OpenRAMAN: Open-Source Raman Spectrometer in 1 day” Raman Spectroscopy 3Dprinting LINK

“Nondestructive authentication of the regional and geographical origin of cocoa beans by using a handheld NIR spectrometer and multivariate algorithm.” LINK

Future topics in Spectroscopy

“Artificial Intelligence-as-a-Service Market-Growth, Trends, and Forecast (2020-2025)” ArtificialIntelligence AIaaS MarketGrowth LINK

Process Control and NIR Sensors

“Real Time Monitoring of Quality Attributes by Inline Fourier Transform Infrared Spectroscopic Sensors at Ultrafiltration and Diafiltration of Bioprocess” LINK

Agriculture NIR-Spectroscopy Usage

“Application of advanced molecular spectroscopy and modern evaluation techniques in canola molecular structure and nutrition property research” LINK

“Sensors, Vol. 20, Pages 4645: Wavelength Selection FOR Rapid Identification of Different Particle Size Fractions of Milk Powder Using Hyperspectral Imaging” LINK

“Role of Near Infrared Spectroscopy in Agriculture” LINK

“Comparison between synthetic and rosemary-based antioxidants for the deep frying of French fries in refined soybean oils evaluated by chemical and non-destructive …” LINK

Forestry and Wood Industry NIR Usage

“Phenotypic techniques and applications in fruit trees: a review.” LINK

Food & Feed Industry NIR Usage

“Rapid screening of DON contamination in whole wheat meals by Vis/NIR spectroscopy and computer vision coupling technology” LINK