Spectroscopy and Chemometrics News Weekly #41, 2018

CalibrationModel.com

NIR Machine Learning as a Service, a Game Changer for Productivity and Accuracy/Precision! ( NIRS Spectroscopy AI MLaaS ) LINK

Near Infrared (NIR) Analysis Software, work smart with all NIR Spectrometers for quantitative sensing & detection. | AnalyticalChemistry LabManger Chemical Analysis Equipment ChemicalAnalysis Analytical Instruments Laboratory LabEquipment LINK

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

Spectroscopy and Chemometrics News Weekly 40, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 40, 2018 | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor LINK

Spettroscopia e Chemiometria Weekly News 40, 2018 | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore LINK




Chemometrics

“Classification of different animal fibers by near infrared spectroscopy and chemometric models” LINK

“Discrimination of organic and conventional rice by chemometric analysis of NIR spectra: a pilot study” LINK

“Discrimination between conventional and omega-3 fatty acids enriched eggs by FT-Raman spectroscopy and chemometric tools” omega3 LINK

“Quantification of mineral composition of Brazilian bee pollen by near infrared spectroscopy and PLS regression.” LINK

“Sex determination of silkworm pupae using VIS-NIR hyperspectral imaging combined with chemometrics.” LINK




Near Infrared

“Spinning-disc confocal microscopy in the second near-infrared window (NIR-II)” Fluorescence LINK

“Measuring the brain’s fast optical signal could speed up Brain–computer interfaces (BCI) response” NIRS LINK

“Bioprofiling for the quality control of Egyptian propolis using an integrated NIR-HPTLC-image analysis strategy.” LINK

“lab for the pocket” hertzstueck NIRS LINK

“NIR gas phase spectroscopy – Pressure broadening effects” LINK

“Near-infrared Band Used for Permanent, Wireless Self-charging System – R & D Magazine” LINK

“Non-Destructive NIR Spectral Imaging Assessment of Bone Water: Comparison to MRI Measurements” – NIRS vs. Magnetic Resonance Imaging LINK




Infrared

“Near-infrared spectroscopy could improve flu vaccine manufacturing” LINK

“Detection of Alone Stress and Combined Stress by CU and NI in Wheat Using Visible to Near-Infrared Spectroscopy” LINK

“A Novel Method for Classifying Driver Cognitive Distraction under Naturalistic Conditions with Information from Near-Infrared Spectroscopy” LINK




Agriculture

“Quality evaluation of fried soybean oil base on near infrared spectroscopy” LINK

Curious about new developments in various fields of spectroscopy and their application in plant sciences? Register now for the International Plant Spectroscopy Conference (IPSC) organised by our colleagues in Berlin, March 24-28th, 2019: LINK

“Application of Vibrational Spectroscopy and Imaging to Point-of-Care Medicine: A Review” LINK




Food & Feed

“From NIR spectra to singular wavelengths for the estimation of the oil and water contents in olive fruits” LINK




Medicinal

“New, noninvasive blood glucose test as effective as finger prick test – Clinical Innovation + Technology” Raman spectroscopy LINK




Laboratory

so, spent some time down the hardware rabbit hole. the core sensors, | is available in a number of combos, on a number of boards; e.g. | LINK










Spectroscopy and Chemometrics News Weekly #34, 2018

CalibrationModel.com

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

Spectroscopy and Chemometrics News Weekly 33, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 33, 2018 | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor LINK

Spettroscopia e Chemiometria Weekly News 33, 2018 | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore LINK

We updated the Near Infrared (NIR) Spectrometer Directory of Suppliers / Manufacturers / Vendors. The list includes now also mobile miniature NIR spectrometer sensors. | NIRS NIR FTNIR NIT NearInfrared MEMS Spectral Sensor IoT LINK




Chemometrics

“Enhancing near infrared spectroscopy models to identify omega-3 fish oils used in the nutraceutical industry by means of calibration range extension” omega3 LINK

“Near infrared spectroscopy coupled with chemometric algorithms for predicting chemical components in black goji berries (Lycium ruthenicum Murr.)” LINK

“Towards innovation in paper dating: a MicroNIR analytical platform and chemometrics” nondestructive diagnostic forensic LINK

“Least-squares support vector machine and successive projection algorithm for quantitative analysis of cotton-polyester textile by near infrared spectroscopy” LINK

“Direct calibration transfer to principal components via canonical correlation analysis” NIRS corn tobacco LINK

“Collaborative representation based classifier with partial least squares regression for the classification of spectral data” LINK




Near Infrared

“Rapid and non-destructive discrimination of special-grade flat green tea using Near-infrared spectroscopy.” LINK

“HOW DID SCIENTISTS DISCOVER WATER ON THE SURFACE OF THE MOON? …. used near-infrared reflectance spectroscopy (NIRS) to find surface water at the moon’s polar regions. …. electromagnetic spectrum, from about 700 to 2,500 manometers.” LINK




Infrared

“DSC, FTIR and Raman Spectroscopy Coupled with Multivariate Analysis in a Study of Co-Crystals of Pharmaceutical Interest” LINK




Equipment

“Calibration transfer of near infrared spectrometers for the assessment of plasma ethanol precipitation process” LINK




Laboratory

“ILS: An R package for statistical analysis in Interlaboratory Studies” | outliers ANOVA LINK




Other

“Spectral Identification of Disease in Weeds Using Multilayer Perceptron with Automatic Relevance Determination” LINK





Spectroscopy and Chemometrics News Weekly #33, 2018

Near Infrared

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

“Authenticity Detection of Black Rice by Near-Infrared Spectroscopy and Support Vector Data Description.” NIRS LINK

“MicroNIR™ PAT-W for Blend Endpoint Analysis in a High Dosage Product” LINK




Chemometrics

“Which regression method to use? Making informed decisions in “data-rich/knowledge poor” scenarios – The Predictive Analytics Comparison framework (PAC)” LINK

“Determination of salvianolic acid B and borneol in compound Danshen tablet by near-infrared spectroscopy and establishment of dependency model” LINK

“Error propagation of partial least squares for parameters optimization in NIR modeling.” LINK

“Rapid quantification of the adulteration of fresh coconut water by dilution and sugars using Raman spectroscopy and chemometrics” LINK

“Predicting pork freshness using multi-index statistical information fusion method based on near infrared spectroscopy.” LINK

“Validation of short wave near infrared calibration models for the quality and ripening of ‘Newhall’ orange on tree across years and orchards” fruits SWNIRS LINK

“Fault detection based on time series modeling and multivariate statistical process control.” LINK




CalibrationModel.com

Near Infrared (NIR) Analysis Software, work smart with all NIR Spectrometers for quantitative sensing & detection. | AnalyticalChemistry LabManger Chemical Analysis Equipment ChemicalAnalysis Analytical Instruments Laboratory LabEquipment LINK

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

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 32, 2018 | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor LINK

Spettroscopia e Chemiometria Weekly News 32, 2018 | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore LINK

The non-destructive technique such as Near Infrared Spectroscopy NIRS along with Chemometrics can predict quality parameters of measurements by using the free NIR-Predictor Software. QualityControl QualityAssurance foodsafety productinspection LINK




Infrared

“Estimating soil heavy metals concentration at large scale using visible and near-infrared reflectance spectroscopy.” LINK

“Overall uncertainty measurement for near infrared analysis of cryptotanshinone in tanshinone extract.” LINK




Hyperspectral

“Hyperspectral imaging reveals wound problems” LINK




Research

“Sensoren machen guten Wein – Mit Hilfe von Sensoren können Winzer Informationen zu Reife, Qualität, Ertragsaussichten und Krankheitsrisiken ihrer Reben erhalten.” LINK




Equipment

“Fourier transform infrared spectrometer based on an electrothermal MEMS mirror.” LINK




Agriculture

“Discrimination of Milks with a Multisensor System Based on Layer-by-Layer Films” LINK




Other

“Watch out, birders: Artificial intelligence has learned to spot birds from their songs” LINK





Spectroscopy and Chemometrics News Weekly #31, 2018

Chemometrics

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



Infrared

“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



Raman

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



Agriculture

“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



Petro

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



Pharma

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



Medicinal

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




Other

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





CalibrationModel.com

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




What are pre-developed NIR pre-calibrations?

There are a lot of terms that means the same, pre-calibration or NIR starter calibration or pre-built calibration or pre-installed calibration orcalibration package or pre-developed calibrations or pre-calibrated NIR or global calibrations or nir global calibration package or factory calibrations or universal near-infrared (NIR) calibrations or local calibrations or ready-to-use NIR calibrations or off-the-shelf calibrations or factory-calibrated or pre calculated model or start-up calibrations or calibration equations or prefabricated nir calibrations or calibration library or mathematical model. That are Calibration models that are prepared and developed by a calibration specialist. They have collected a lot of samples over years and measured them with NIR and analyced it with reference methods. The NIR spectra are then calibrated against the reference values. This is called a NIR calibration or calibration model or sometimes calibration curve or calibration equation. Normally a precalibration is delivered as a file that is compatible to the used NIR analysis software. Such a calibration file does not contain the spectra nor the reference values.

So how can that work?

The only thing that is in the file is a description what it is for (e.g. protein in feed) and the chemometric model that is represented and stored as list of vectors and matrices. You can’t visualize them, it’s a black-box file. You have no insight of how the calibration is done, how are the settings, how is the prediction performance. You can not extend the calibration with your data to adjust it to your purpose or specialty. Most often the pre calibration files are protected, so you can use it only with a paid license to your software or even to your instrument serials number. These are some (not well known) limitations you will discover if you got one. But such starter calibrations are very useful to have a fast and easy start with a new NIR spectrometer. That’s the main reason why pre-calibrations are available. The second reason is that a collection of spectra can be reused to build such pre calibrations.

Predicting the future?

Are very old spectra useful to predict the future? To adjust a calibration model with newly collected data, the calibrations grows and contains more and more redundancy. That means there are very similar spectra with the same concentration range. So which spectra can be removed to make the calibration better? You maybe never ask this because often you hear, that the more spectra you put into a model the better it will be. Why to remove some spectra?
  • reduce not needed redundancy
  • makes the calibration smaller and less complex
  • makes the calibration better fit to the current situation of now and the near future
  • remove long past seasonal data if you have natural products because nature is changing
  • and of course bad outliers should be removed

Custom NIR calibrations

Build your own calibrations that perfectly fit to your specific sample matrix of your products and your preferred raw materials from your local suppliers. Nature grows differently depending on the geographical region, by seasons and year by year. As you know that NIR-Spectroscopy is not an absolute method, then you have to think about to calibrate these current changing effects into your models. If you own the spectra and the reference values then your are able to build your own calibration models and re-calibrate them when needed. So you have the full control on Calibration updates (also known as moving models).

Conclusion

A NIR-instrument can only measure NIR spectra. So the usefulness of NIR comes in with calibrations. That is very important to know when buying such an instrument. For a fast start you can use pre-built calibrations. Good reliably calibrations are offered from third party to quite high prices that level is similar to a cheaper NIR-Instrument! To continue successfully it is highly recommended to develop your own customized calibration (multivariate calibration model) with your own data from your own products, especially with the use of natural resources. Therefore you need knowledge about chemometrics and multivariate analysis (MVA), spectroscopy and the software used to get the calibration optimized. It is worthwhile to create your own calibrations, because you can calibrate product characteristics that are not covered by the proposed pre-calibrations.