Spectroscopy and Chemometrics News Weekly #31, 2018


How to Configure the Number of Layers and Nodes in NeuralNetworks: BigData DataScience AI MachineLearning DeepLearning Algorithms by Source for graphic: | abdsc (2018.08.02) LINK

“Visible-Near-Infrared Spectroscopy can predict Mass Transport of Dissolved Chemicals through Intact Soil.” (2018.08.02) LINK

“Classification and compositional characterization of different varieties of cocoa beans by near infrared spectroscopy and multivariate statistical analyses.” (2018.08.02) LINK

“Classification of Chicken Parts Using a Portable Near-Infrared (NIR) Spectrophotometer and Machine Learning.” (2018.08.02) LINK

“Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression” (2018.07.31) LINK

“Evaluating the performance of a consumer scale SCiO™ molecular sensor to predict quality of horticultural products” (2018.07.30) LINK

“Estimation of Total Phenols, Flavanols and Extractability of Phenolic Compounds in Grape Seeds Using Vibrational Spectroscopy and Chemometric Tools” (2018.07.26) LINK

Near Infrared

“FT-NIR, MicroNIR and LED-MicroNIR for Detection of Adulteration in Palm Oil via PLS and LDA” FTNIR NIRS (2018.08.03) LINK

“Long-Length Fiber Optic Near-Infrared (NIR) Spectroscopy Probes for On-Line Quality Control of Processed Land Animal Proteins” (2018.08.03) LINK

“Near-infrared spectroscopy for rapid and simultaneous determination of five main active components in rhubarb of different geographical origins and processing.” (2018.08.02) LINK

“Marktech Optoelectronics Introduces Silicon Avalanche Photodiodes for Low-Level Light and Short Pulse Detection” UV NIR NIRS SWIR (2018.08.02) LINK

“Innovative Technology Promises Fast, Cost-Efficient Age Data for Fisheries Management” FTNIR (2018.07.31) LINK

“Rapid qualitative and quantitative analysis of methamphetamine, ketamine, heroin, and cocaine by near-infrared spectroscopy.” (2018.07.31) LINK

We (led by ) have been independently assessing thew value of consumer scale NIR devices for horticultural quality assessment. Here is our published work assessing (2018.07.30) LINK


“Fault Detection Based on Near-Infrared Spectra for the Oil Desalting Process” (2018.08.05) LINK

“Common Infrared Optical Materials and Coatings: A Guide to Properties, Performance and Applications” (2018.08.04) LINK


SpectraBase – FREE, fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra! spectroscopy (2018.08.02) LINK


“Three-Dimensional Reconstruction of Soybean Canopies Using Multisource Imaging for Phenotyping Analysis” (2018.08.03) LINK

“Smartphone Spectroscopy Promises a Data-Rich Future – An upsurge of portable, consumer-facing devices at the intersection of smartphone computing and spectroscopy is now leveraging integration. ” (2018.08.02) LINK

Innovative Technology Promises Fast, Cost-Efficient Age Data for Fisheries Management (2018.07.31) LINK

“Smartphone-Based Food Diagnostic Technologies: A Review” (2018.07.30) LINK


“Detection, Purity Analysis, and Quality Assurance of Adulterated Peanut (Arachis Hypogaea) Oils” (2018.08.02) LINK


“Potential of near infrared spectroscopy and pattern recognition for rapid discrimination and quantification of Gleditsia sinensis thorn powder with adulterants.” (2018.08.02) LINK


A micro-spectrometer fit for a smartphone: Could the power to measure things like CO2, food freshness, and blood sugar levels soon be in the palm of our hands? |rld/magazine/article/323/micro-spectrometer-opens-door-to-a-wealth-of-new-smartphone-functions?utm_source=twitter.com/CalibModel health safety medicine spectroscopy (2018.02.25) LINK

“Near-infrared spectroscopy detects age-related differences in skeletal muscle oxidative function: promising implications for geroscience.” (2018.02.08) LINK


69% of decision makers say industrial analytics will be crucial for business in 2020. | IoT IIoT MT LINK


Free Chemometric NIR Predictor Software! Simple plug&play calibrations, drag&drop spectral data, for any NIRS sensor device. Easy to use software for off-line and real-time prediction without limits. offline realtime (2018.08.04) LINK

Automated NIRS spectroscopy chemometrics method development with MachineLearning for spectrometer Spectral IoT sensor SmartSensor SmartSensors (2018.07.25) LINK

Automatic NIR Spectroscopy Calibration-Development as a Service. Applicable with free NIR-Predictor software or via OEM API. | NIRSpectroscopy NearInfrared NIRanalysis spectrometers DataAnalytics Regression Spectral Sensors QualityControl Lab (2018.07.26) LINK

Increase Your Profit with optimized NIRS Accuracy with Calibration as a Service (CaaS) and the new free NIR-Predictor software. | foodsafety Feed Lab QC QA testing (2018.08.03) LINK

New : FREE NIR Predictor Software, drag&drop spectral data to plug&play calibrations, for any NIRS Analysis sensor type. | Chemometrics Prediction (2018.07.24) LINK

Spectroscopy and Chemometrics News (KW 11-30 2018) | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors (2018.07.25) LINK

Spektroskopie und Chemometrie Neuigkeiten (KW 11-30 2018) | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor (2018.07.25) LINK

Spettroscopia e Chemiometria Weekly (KW 11-30 2018) | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore (2018.07.25) LINK

光谱学和化学计量学新闻(KW#11-#30 2018) | 近红外光谱化学计量学分析光谱仪传感器 (2018.07.26) LINK

分光法とケモメトリックスニュース(KW#11-#30 2018) | 赤外分光法・ケモメトリックスの分光センサーの近く (2018.07.26) LINK

Spectroscopy and Chemometrics News (KW #11-#30 2018)


“Identifying and filtering out outliers in spatial datasets” (2018.07.25) LINK

“Phenomic selection: a low-cost and high-throughput method based on indirect predictions. Proof of concept on wheat and poplar.” (2018.07.25) LINK

“An improved variable selection method for support vector regression in NIR spectral modeling” (2018.07.25) LINK

“Near-Infrared Spectroscopy and Chemometrics for the Routine Detection of Bilberry Extract Adulteration and Quantitative Determination of the Anthocyanins” (2018.07.25) LINK

“Modern practical convolutional neural networks for multivariate regression: Applications to NIR calibration” (2018.07.25) LINK

“Automated NIR-Spectroscopy chemometrics-method development with machine-learning for spectrometers, spectral IoT-sensor/smart-sensors” – read without Hashtags (2018.07.25) LINK

An interesting explanation of “Automated Machine Learning vs Automated Data Science” | Automated MachineLearning DataScience (2018.07.03) LINK

“Evaluation of Quality Parameters of Apple Juices Using Near-Infrared Spectroscopy and Chemometrics” (2018.07.02) LINK

“Chemometric approaches for document dating: Handling paper variability” (2018.06.27) LINK

“Development and comparison of regression models for the determination of quality parameters in margarine spread samples using NIR spectroscopy” (2018.06.27) LINK

“The non-destructive technique such as Near Infrared Spectroscopy (NIRS) along with Chemometrics has been successful in predicting the quality parameters but not well established for on-vine/in-orchard fruit quality measurement.” (2018.06.27) LINK

“Quantification of leghaemoglobin content in pea nodules based on near infrared hyperspectral imaging spectroscopy and chemometrics” (2018.06.15) LINK

“Exploring the Applicability of Quantitative Models Based on NIR Reflectance Spectroscopy of Plant Samples” | tobacco (2018.06.15) LINK

“Interval lasso regression based Extreme learning machine for nonlinear multivariate calibration of near infrared spectroscopic datasets” (2018.06.05) LINK

“Soft and Robust Identification of Body Fluid Using Fourier Transform Infrared Spectroscopy and Chemometric Strategies for Forensic Analysis” (2018.06.05) LINK

“Temporal decomposition sampling and chemical characterization of eucalyptus harvest residues using NIR spectroscopy and chemometric methods” (2018.06.05) LINK

: The emission spectrum of each element is a unique identifier — like the DNA of the element — and the spectral analysis of a light source is essentially a Principal Component Analysis of its components — like explanatory DataScience. Get your p… (2018.06.05) LINK

“Rice Classification Using Hyperspectral Imaging and Deep Convolutional Neural Network” DCNN (2018.05.31) LINK

“Development and comparison of regression models for determination of quality parameters in margarine spread samples using NIR spectroscopy” (2018.05.31) LINK

“Application of FTIR Spectroscopy and Chemometrics for Halal Authentication of Beef Meatball Adulterated with Dog Meat” (2018.05.31) LINK

Prediction of amino acids, caffeine, theaflavins and water extract in black tea by FT-NIR spectroscopy coupled chemometrics algorithms (2018.05.31) LINK

Chemometrics in Analytical Chemistry (CAC) Conference, Halifax, 17th CAC Meeting, June 25-29, 2018 (2018.05.31) LINK

Spatially Resolved Spectral Powder Analysis: Experiments and Modeling (2018.04.05) LINK

Calibration Transfer based on the Weight Matrix (CTWM) of PLS for near infrared (NIR) spectral analysis (2018.04.05) LINK

“A novel multivariate calibration method based on variable adaptive boosting partial least squares algorithm” (2018.03.28) LINK

“How Many ML Models You Have NOT Built?” (2018.03.28) LINK

“Calibration model maintenance in melamine resin production: Integrating drift detection, smart sample selection and model adaptation” (2018.03.27) LINK

“Application of NIR spectroscopy and chemometrics for revealing of the ‘high quality fakes’ among the medicines” (2018.03.27) LINK

“Dual-Domain Calibration Transfer Using Orthogonal Projection” (2018.03.14) LINK

“A Review of Calibration Transfer Practices and Instrument Differences in Spectroscopy” (2018.03.14) LINK

Near Infrared

“Near-infrared chemical imaging used for in-line analysis of functional finishes on textiles.” (2018.07.25) LINK

“A comparison between NIR and ATR-FTIR spectroscopy for varietal differentiation of Spanish intact almonds” (2018.07.25) LINK

Worked examples of MSC and SNV correction for NIR spectroscopy in Python. nirs (2018.07.25) LINK

“Evolution of Frying Oil Quality Using Fourier Transform Near-Infrared (FT-NIR) Spectroscopy” – FryingOil FTNIR (2018.07.25) LINK

“Evaluation of drying of edible coating on bread using NIR spectroscopy” (2018.07.25) LINK

very interesting article. NIRS is cheaper than molecular markers (2018.07.13) LINK

FlowChemMondays application of a portable near-infrared spectrophotometer (MicroNIR) for in-line monitoring of the synthesis of 5-hydroxymethylfurfural (5-HMF) from D-fructose is described in OPRD | flowchemistry (2018.07.03) LINK

“Accurate and rapid detection of soil and fertilizer properties based on visible/near-infrared spectroscopy” (2018.06.25) LINK

“Detection of Veterinary Antimicrobial Residues in Milk through Near-Infrared Absorption Spectroscopy” (2018.06.05) LINK

“Calibration is key – the calibration is the most important part of the NIRS method” near-infrared reflectance spectroscopy NIRS – from the lab to the field… forage quality agchat handheldNIRS Lab2Field (2018.06.05) LINK

“Assessment of tomato soluble solids content and pH by spatially-resolved and conventional Vis/NIR spectroscopy” (2018.05.31) LINK

“A novel method for geographical origin identification of Tetrastigma hemsleyanum (Sanyeqing) by near-infrared spectroscopy” (2018.05.31) LINK

“Effects of moisture on automatic textile fiber identification by NIR spectroscopy” (2018.05.31) LINK

“Rapid, noninvasive detection of Zika virus in Aedes aegypti mosquitoes by near-infrared spectroscopy” (2018.05.31) LINK

Method for Identifying Maize Haploid Seeds by Applying Diffuse Transmission Near-Infrared Spectroscopy (2018.04.05) LINK

This article is about NIR Spectroscopy. (2018.03.27) LINK

“Combining Fractional Order Derivative and Spectral Variable Selection for Organic Matter Estimation of Homogeneous Soil Samples by VIS-NIR Spectroscopy” (2018.03.27) LINK

“Concentration monitoring with near infrared chemical imaging in a tableting press” (2018.03.14) LINK

“NIR Chemical Imaging Can Help Maintain the Safety of Pharmaceutical Tablets” | NIRCI (2018.03.14) LINK


“High Throughput Screening of Elite Loblolly Pine Families for Chemical and Bioenergy Traits with Near Infrared Spectroscopy” (2018.07.25) LINK

“Non-Destructive Methodology to Determine Modulus of Elasticity (MOE) in Static Bending of Quercus mongolica Using Near-Infrared Spectroscopy” wood (2018.06.27) LINK

“Near infrared spectroscopy as an alternative method for rapid evaluation of toluene swell of natural rubber latex and its products” (2018.06.25) LINK

“The Application of Discrete Wavelet Transform with Improved Partial Least-Squares Method for the Estimation of Soil Properties with Visible and Near-Infrared Spectral Data” (2018.06.05) LINK

“Mutual factor analysis for quantitative analysis by temperature dependent near infrared spectra.” (2018.03.27) LINK

“Evaluating the Applications of the Near-Infrared Region in Mapping Foliar N in the Miombo Woodlands” (2018.03.27) LINK


“Differentiating Donor Age Groups Based on Raman Spectroscopy of Bloodstains for Forensic Purposes” (2018.06.27) LINK


“Evaluation of Near-Infrared Hyperspectral Imaging for Detection of Peanut and Walnut Powders in Whole Wheat Flour” (2018.07.03) LINK

“Potential of Visible and Near-Infrared Hyperspectral Imaging for Detection of Diaphania pyloalis Larvae and Damage on Mulberry Leaves” (2018.07.03) LINK

“Quantification of leghaemoglobin content in pea nodules based on near infrared hyperspectral imaging spectroscopy and chemometrics” (2018.06.15) LINK


“Spectral Fiber Sensors for Cancer Diagnostics” by artphotonics | Optical Fibers (2018.07.03) LINK


“This is your brain detecting patterns. It is different from other kinds of learning, study shows” (2018.06.01) LINK


Android Tricorder: Google übernimmt Startup, das Körperwerte mit dem Smartphone messen kann (2017.08.16) LINK


“Comparing the qualitative performances of handheld NIR and Raman spectrometers for the analysis of falsified pharmaceutical products.” (2018.07.25) LINK

“Tiny $25 Spectrometer Aims to Identify Materials with Ease” (2018.05.31) LINK

“Comparison of Portable and Bench-Top Spectrometers for Mid-Infrared Diffuse Reflectance Measurements of Soils” (2018.03.28) LINK


Nonlinear Regression with High-Dimensional Space Mapping for Blood Component Spectral Quantitative Analysis (2018.02.02) LINK


“Bluret Protein Measurement Machine, a technological disrupter of its day” (2018.07.03) LINK

“Identification and quantification of microplastics in table sea salts using micro-NIR imaging methods” (2018.05.31) LINK

Food & Feed

“Non-Invasive Methodology to Estimate Polyphenol Content in Extra Virgin Olive Oil Based on Stepwise Multilinear Regression” (2018.03.27) LINK

Rapid Determination of Active Compounds and Antioxidant Activity of Okra Seeds Using Fourier Transform Near Infrared (FT-NIR) Spectroscopy FTNIR Polyphenols Flavonoids AntioxidantActivity | (2018.03.03) LINK


“Quantification of pharmaceuticals contaminants in wastewaters by NIR spectroscopy” (2018.07.25) LINK


Spectroscopy used to be confined to the laboratory. Today, portable NeoSpectra SpectralSensors bring the power of NIR out of the lab and into the field. (2018.06.20) LINK


“Non-Destructive Methodology to Determine Modulus of Elasticity (MOE) in Static Bending of Quercus mongolica Usin… (2018.06.27) LINK

“The Application of Discrete Wavelet Transform with Improved Partial Least-Squares Method for the Estimation of… (2018.06.05) LINK

: The emission spectrum of each element is a unique identifier — like the DNA of the element — and the spectral analysis of a light source is essentially a Principal Component Analysis of its components — like explanatory DataScience. Get your p… (2018.06.05) LINK

An Innovative Approach to Exploit the Reflection Spectroscopy of Liquid Characteristics (2018.04.05) LINK

“Combining Fractional Order Derivative and Spectral Variable Selection for Organic Matter Estimation of Homogeneous Soil Samples by VIS-NIR Spectroscopy” (2018.03.27) LINK

Spectroscopy and Chemometrics News Weekly #51+52, 2016

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


Quantification of quality parameters in castanhola fruits by NIRS for the development of prediction models using… LINK


USB3.0 SWIR OEM Linescan Camera for Machine Vision & Spectroscopy — Princeton Infrared Technologies, Inc. LINK

Near Infrared

An easy and effective way to screen chemicals in cosmetics? Introducing, Near Infrared Analyser (NIR)! LINK


Identification and Evaluation of Composition in Food Powder Using Point-Scan Raman Spectral Imaging LINK

Spectral Imaging

Low-Cost Spectral Imaging on the Horizon | SpectralImaging LINK

Food & Feed

The plastic rice scam reaches Africa (Nigeria to be accurate). Food fraudsters compared to drug dealers LINK!


Handheld Raman Spectrometer for On-Site Verification of Materials in Seconds – Mira M-3 LINK

“Bruker Announces Acquisition of Active Spectrum Micro-ESR Business” (Electron Spin Resonance Spectroscopy) LINK


Disruptive Technology in 201X and Beyond IoT MobileFirst TechnologyTrends LINK


Efficient Spectroscopic Analysis Method Development and Data Analysis for Robust and Exact NIRS Measurement Results LINK

Increase Your Profit with optimized NIRS Accuracy FoodSafety Qualitätssicherung LINK

Services for Optimization of Chemometric Application Methods of Near-Infrared Spectroscopy | NIRS Quality Control LINK

Chemometrics and Spectroscopy News Weekly #1, 2015

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


Going beyond spectral vegetation indices… PLSR for plant canopy properties. (2014.12.24) LINK
Combining SO-PLS and linear discriminant analysis for multi-block classification (2014.12.17) LINK
2nd International Conference on Perspectives in Chemometrics, 10–12 Feb 2015, Chennai, India (2014.12.16) LINK
Development of a common calibration model for determining the Brix value of intact apple, pear (2014.12.10) LINK
Identification of green tea varieties & fast quantification of total polyphenols by near-infrared spectroscopy … (2014.12.10) LINK
Stop Waiting: CalibrationModel develops NIR applications faster – NIRS Spectroscopy ?utm_source= (2014.12.09) LINK
Variable Selection in Machine Learning: (2014.12.08) LINK
Structuring the population : Many recipes for how to do an NIR calibration begin with a … (2014.12.05) LINK
Comparing Different Species of Cross-Validation | chemometrics (2014.12.05) LINK

Near Infrared

FDA makes new move to check adulteration – FTNIR machines analysing samples of milk and oil (2014.12.24) LINK
Hyperspectral imaging in quality control of inkjet printed personalised dosage forms | NIRS (2014.12.23) LINK
Nanotechnology Applications of a Tunable Supercontinuum Laser Light Source. Full VIS-NIR wavelength range (2014.12.16) LINK
NIR Field Spectroradiometer serves remote sensing applications. (2014.12.16) LINK
Spatial mapping of proteoglycan content in articular cartilage using near-infrared (NIR) spectroscopy (2014.12.16) LINK
Major aquafeed producer EWOS shares practical considerations of switching to in-line NIR (2014.12.12) LINK
Quantitative analysis of ingredients of blueberry fruits by near infrared spectroscopy (2014.12.10) LINK
Identifying hybridisation in Pinus species using near infrared spectroscopy of foliage (2014.12.10) LINK
Assessing biochar stability indices using near infrared spectroscopy (2014.12.10) LINK
Espectroscopia NIR aplicada à análise de solos foi tema de debate em workshop nacional – (2014.12.10) LINK
NIR sensor refined to analyze swimmer performance | NIRS muscle oxygenation (2014.12.10) LINK
Stadler hosts open house at Eco Plastics – near infra-red (NIR) sorter – Recycling Today (2014.12.09) LINK
Hockey & NIRS – Strapped to the head, the NIRS machine uses light beams to measure blood oxygen levels (2014.12.09) LINK
Near-infrared (NIR) drills into the energy industry (2014.12.06) LINK
We interviewed Rafaella Aureli about new NIR test for Phytate-P & Total-P in raw materials (2014.11.27) LINK


Supporting Drug Development Process with Raman Spectroscopy: (2014.12.12) LINK
Using Confocal Raman to Produce a Raman Spectrum of Morphine Sulphate (2014.11.26) LINK
3D Printed Components Make Raman Spectroscopy More Widely Available (2014.11.26) LINK
Transmission Raman Method Gains Regulatory Approval for Content Uniformity Batch Release Test (2014.11.25) LINK


Terahertz spectroscopy: (2014.12.09) LINK


Feasibility of Detecting Aflatoxin B1 on Inoculated Maize Kernels Surface using Vis/NIR Hyperspectral Imaging (2014.12.16) LINK
Compressive Hyperspectral Imaging with Side Information | cs cshardware (2014.12.10) LINK
2019 Forecast for Optical Imaging Market at CAGR of 12.7% Says a Research … | Hyperspectral (2014.12.09) LINK
Hyperspectral Sensing for Turbid Water Quality Monitoring in Freshwater Rivers. | TTS Reflectance (2014.11.28) LINK
UAV hyperspectral imager solution – environmental monitoring (2014.11.26) LINK

Spectral Imaging

World’s First Multispectral Lidar Sensor (2014.12.06) LINK
New Imaging Technologies illuminates Surface Features: polynomial texture mapping (PTM) & multispectral imaging (MSI) (2014.11.26) LINK
The princess with the Mona Lisa smile: Lost $150m da Vinci masterpiece or fake? multispectral (2014.11.25) LINK


New White Paper – published on High Performance SWIR Imaging Cameras. | Ninox InGaAs SWIR (2014.12.21) LINK


Star Trek tricorder soon? How the XPrize Foundation Is Building Our Next-Gen Health Sensors | http://t.… (2014.12.04) LINK


Tiny Spectrometer Targets IoT – NanoLambda has developed a $10 spectrometer-on-a-chip (2014.12.14) LINK
Bruker Releases ONET Software for Administration of FT-NIR Spectrometer Networks (2014.12.12) LINK
Chemometric application for thermal behavior of blends of bamboo with solid fossil fuel (2014.12.10) LINK


Will Marshall: Tiny satellites show us the Earth as it changes in near-real-time (2014.12.11) LINK


What is the Nutritive Value of Wheat for Broilers? NIRS predicted average daily gain and predicted feed efficiency (2014.12.17) LINK
Spectral database for postage stamps by means of FT-IR spectroscopy (2014.12.09) LINK
TECHNART 2015 – Non-destructive and microanalytical techniques in art and cultural heritage (2014.12.09) LINK


From lake ecology to biofuels—applications of FT-IR spectroscopy to algal research (2014.12.09) LINK


“Can You Demonstrate the Integrity of Your Data?” (spectroscopy systems) | GMP GLP FDA (2014.12.09) LINK


Tiny sensors may soon monitor seniors’ medicines from inside (2014.12.23) LINK


Separating Mangrove Species and Conditions Using Laboratory Hyperspectral Data (2014.11.25) LINK


High-Speed Line-Scan Sensors Improve Spectroscopy (2014.12.23) LINK
“Nur die Guten ins Töpfchen – Spektroskopie-Blick bei Schüttgutsortierung” (2014.12.11) LINK
Application Note: Spectroscopy Versus the Volcano (2014.12.11) LINK
UAVs to use Hyper-spectral Sensors for Ocean Research (2014.12.09) LINK
PITTCON 2015: The Pitsburgh Conference on Analytical Chemistry & Applied Spectroscopy 8-14 March 2015 New Orleans USA (2014.12.09) LINK
Analysis of ‘legal high’ substances & common adulterants using handheld spectroscopic tech.. (2014.12.09) LINK
BigData Market Projected to grow 17%/year, reach $76 B by 2020, says SNS research (2014.12.04) LINK
Mobile und miniaturisierte Spektrometer Berlin (2014.11.27) LINK