Spectroscopy and Chemometrics News Weekly #1, 2019

CalibrationModel.com

Develop customized NIRS applications and freeing up hours of spectroscopy analysts time | spectroscopist chemist laboratory LINK

Increase Your Profit with optimized NIR Accuracy Beverage Processing Dairy LINK

Neue Möglichkeiten in der Entwicklung von Applikationen für die NIR-Analytik | Labor NIRS Analytik LaborAnalytik LINK

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

Service für professionelle Entwicklung von Nah-Infrarot Spektroskopie Kalibrations Methoden | NIRS Qualität Testen LINK

Spectroscopy and Chemometrics News Weekly 52, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors Spectrometry LINK




HAPPY NEW YEAR

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Chemometrics

“Nocturnal Hypoglycemic Alarm Based on Near-Infrared Spectroscopy: In Vivo Studies with a Rat Animal Model.” LINK

“Hydrolysis kinetics of silane coupling agents studied by near-infrared spectroscopy plus partial least squares model” LINK

“Utilizing visible and near infrared spectroscopy based on multi-class support vector machines classification to characterize olive oil adulteration” LINK

“Analysis of Near-Infrared (NIR) Spectroscopy for Chlorophyll Prediction in Oil Palm Leaves” LINK

“基于卷积神经网络的烟叶近红外光谱分类建模方法研究” “The Study of Classification Modeling Method for Near Infrared Spectroscopy of Tobacco Leaves Based on Convolution Neural Network” LINK




Near Infrared

“Determination of the geographical origin of green coffee beans using NIR spectroscopy and multivariate data analysis” LINK

“Acton Optics & Coatings Develops New UV-NIR Neutral Density Filters That Offer Unmatched Broadband Performance” LINK

“The Influence of Packaging on Cosmetic Emulsion during Storage Assessed by FT-NIR Spectroscopy and Color Measurements” – Society of Cosmetic Chemists LINK

The Influence of Packaging on Cosmetic Emulsion during Storage Assessed by FT-NIR Spectroscopy and Color Measurements – Society of Cosmetic Chemists LINK

“Measurement of pesticide residues in peppers by near-infrared reflectance spectroscopy” NIRS LINK

“Near infrared reflectance spectroscopy of pasticceria foodstuff as protein content predicting method” NIRS NIR LINK

“Application of portable micro near infrared spectroscopy to the screening of extractable polyphenols in grape skins: A complex challenge.” vineyard NIR LINK

“Qualitative Identification of Pesticide Residues in Pakchoi Based on Near Infrared Spectroscopy” NIRS LINK

“稻谷有害霉菌侵染的近红外光谱快速检测” “Rapid Detection of Harmful Mold Infection in Rice by Near Infrared Spectroscopy” LINK

“Quantitative Characterization of Arnicae flos by RP-HPLC-UV and NIR Spectroscopy.” LINK




Infrared

“Fast detection of cocoa shell in cocoa powders by Near Infrared Spectroscopy and multivariate analysis” LINK

“SDAE-BP Based Octane Number Soft Sensor Using Near-infrared Spectroscopy in Gasoline Blending Process” LINK

“Differentiating between bottled water from different sources using near-infrared spectroscopy” LINK

“Nondestructive Detection of Pesticide Residue on Banana Surface Based on Near Infrared Spectroscopy” LINK

“Raman spectroscopy of a near infrared absorbing proteorhodopsin: Similarities to the bacteriorhodopsin O photointermediate.” LINK

“Determination of Total Polysaccharides and Total Flavonoids in Chrysanthemum morifolium Using Near-Infrared Hyperspectral Imaging and Multivariate Analysis.” LINK




Raman

“Surface Chemistry of Oil-Filled Organic Nanoparticle Coated Papers Analyzed Using Micro-Raman Mapping” LINK




Agriculture

“Spectroscopy and Spectral Imaging Techniques for Non-destructive Food Microbial Assessment” LINK

“Evaluating Soybean Cultivars for Low- and High-Temperature Tolerance During the Seedling Growth Stage” Agronomy NIRS LINK




Pharma

to acquire Celgene to create a leading innovative biopharma company LINK




Other

“The nutritive value of hay from the family farms of northwestern Croatia” LINK

“A comparison study of five different methods to measure carotenoids in biofortified yellow cassava (Manihot esculenta)” LINK

“大気中光電子収量分光分析による有機薄膜半導体のエネルギー準位の測定” 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 #32, 2018

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


Chemometrics

“Quantification of active ingredients in Potentilla tormentilla by Raman and infrared spectroscopy.” LINK

“Selecting the Best Machine Learning Algorithm for Your Regression Problem” LINK

New Release via OSA_Optica: Machine Learning Technique Reconstructs Images Passing through a Multimode Fiber. “The new method showed remarkable robustness against environmental instabilities even over long fibers.” Read More: LINK

“Building Reliable Machine Learning Models with Cross-validation” LINK

“Assessing the capability of Fourier transform infrared spectroscopy in tandem with chemometric analysis for predicting poultry meat spoilage” LINK

“Rapid identification and quantification of Panax notoginseng with its adulterants by near infrared spectroscopy combined with chemometrics.” Adulteration LINK

“Quantitative analysis modeling of infrared spectroscopy based on ensemble convolutional neural networks” LINK

“Machine Learning Applied to Near-Infrared Spectra for Chicken Meat Classification” LINK

“Rapid detection of three quality parameters and classification of wine based on Vis-NIR spectroscopy with wavelength selection by ACO and CARS algorithms.” LINK




Near Infrared

“Single-trial NIRS data classification for brain-computer interfaces using graph signal processing.” LINK

“Non-destructive prediction of protein content in wheat using NIRS.” Nondestructive LINK

“Fast authentication of tea tree oil through spectroscopy.” NIRS AnalyticalChemistry LINK

“Real time release testing of tablet content and content uniformity.” | Pharma dosage QualityByDesign QbD NIRS LINK

“Physical Barrier Type Abuse-Deterrent Formulations: Monitoring Sintering-Induced Microstructural Changes in Polyethylene Oxide Placebo Tablets by Near Infrared Spectroscopy (NIRS).” LINK

“Rapid Authentication and Quality Evaluation of Cinnamomum verum Powder Using Near-Infrared Spectroscopy and Multivariate Analyses.” LINK




Infrared

“New study first to demonstrate a chip-scale broadband optical system that can sense molecules in the mid-infrared” LINK




Raman

“An improved method based on a new wavelet transform for overlapped peak detection on spectrum obtained by portable Raman system” LINK




Facts

“A small team of student AI coders beats Google’s machine-learning code” LINK

“Machine Learning Technique Reconstructs Images Passing through a Multimode Fiber” LINK




DataFormats

“Are your spectroscopic data FAIR?” – FAIR stands for Findable, Accessible, Interoperable, Reusable. – IUPAC JCAMP-DX 6.0 is coming…. – spectroscopy LINK




Process Control

The key concept of sampling errors – the Theory of Sampling (TOS) – is applied in key industrial sectors (mining, minerals, cement and metals processing). LINK




Agriculture

“Canopy Hyperspectral Sensing of Paddy Fields at the Booting Stage and PLS Regression can Assess Grain Yield” LINK

“Agricultural Applications of Spectroscopy – The basic principle of spectroscopy involves dissecting the light of a specific object into various wavelengths that represent different physical properties of the object, some of which include temperature..” LINK




Laboratory

“ILS: An R package for statistical analysis in Interlaboratory Studies” 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




Spectroscopy and Chemometrics News Weekly #21-24, 2017

Chemometrics

DD-SIMCA A MATLAB GUI tool for data driven SIMCA approach LINK

Fourier transform infrared spectroscopy coupled with chemometrics for determining geographical origin of kudzu root LINK

Chemical Variability & Calibration Algorithms on Prediction of Solid Fraction of Compacted Ribbons Using NIR LINK

Calibration transfer of flour NIR spectra between benchtop and portable instruments LINK

Rapid Prediction of Moisture Content in Intact Green Coffee Beans Using Near Infrared Spectroscopy LINK


Calibration transfer of flour NIR spectra between benchtop and portable instruments LINK

Simultaneous Quantification of Paracetamol and Caffeine in Powder Blends for Tableting by NIR-Chemometry LINK


Model evaluation, model selection, and algorithm selection in machine learning. MachineLearning LINK

Development & Validation of a New Near-Infrared Sensor to Measure Polyethylene Glycol (PEG) Concentration in Water LINK



Near Infrared

In-situ & real-time monitoring of ultrasonic-assisted enzymatic hydrolysis process of corn gluten meal by NIRS LINK

Near-Infrared Spectroscopic Evaluation of Water Content of Molded Polylactide under the Effect of Crystallization LINK


Repetition Suppression in Aging: A Near-Infrared Spectroscopy Study on the Size-Congruity Effect LINK

Broadband Light Source and Its Application to Near-Infrared Spectroscopy | sensor via LINK

Industrial applications using NIR chemical imaging LINK

Analysis of oilseeds for protein, oil, fiber and moisture by near-infrared reflectance spectroscopy LINK

Global Near Infrared Spectroscopy Market to Grow at a CAGR of Over 9% Through 2021, Reports Technavio -Business Wire LINK

Optical Sensors Advancing Precision in Agricultural Production – near-infrared spectroscopy (NIRS) LINK


“Could NIRS be useful to digital agriculture?”, high quality keynote by Veronique Bellon-Maurel from & … LINK!

Near Infrared (NIR) Spectroscopy for plant health monitoring! electronics engineering optics LINK



Raman

Raman Spectroscopy of Blood and Blood Components LINK



Hyperspectral

Short Wave Infrared and its use in Hyperspectral Imaging – SWIR HSI LINK



Equipment

Make or buy your spectrometer – OEM Spectrometer LINK



Laboratory

Video: How near-infra red technology measures grass quality … LINK



Agriculture

Leveraging IoT to Improve Data Collection for Agriculture LINK



Food & Feed

‘Infrared spectrometers: NIR and MIR compared’ from the course ‘Identifying FoodFraud’. LINK



Other

“Spectroscopy for the Masses” | Spectroscopy via LINK

Online Partial Least Square Optimization: Dropping Convexity for Better Efficiency. LINK



Spectroscopy and Chemometrics News Weekly #3+4, 2017


Chemometrics

Fast sampling, analyses and chemometrics for plantbreeding: Bitter acids, xanthohumol and terpenes in lupulin … LINK


Near Infrared

Measurement of Soy Contents in Ground Beef Using Near-Infrared Spectroscopy LINK


Near infrared spectroscopy for body fat sensing in neonates: quantitative analysis by GAMOS simulations | Bodyfat LINK



Fatty acids and fat-soluble vitamins in ewe’s milk predicted by near infrared reflectance spectroscopy. | NIRS LINK


NeoSpectra Micro, a small, chip-scale, near infra-red (NIR) spectral sensor – LINK


Hyperspectral

Drones on the Farm: Agribotix Partners with senseFly, and Sentera Announces Real-Time NDVI Streaming LINK


Early Detection of Aspergillus parasiticus Infection in Maize Kernels Using NIR Hyperspectral Imaging and MDA LINK



Nondestructive Estimation of Moisture Content, pH and Soluble Solid Contents in Intact Tomatoes Using HSI LINK


Equipment

Spectrometers: Excitation source parameters dictate Raman spectroscopy outcomes LINK


Future

Is molecular scanning the next killer smartphone app? killerapp futuretrends sensorik sensor LINK


Other

It took 50 years for the world to install the first million industrial robots. The next million will take only eight … LINK!


“How Statistics lost their power – and why we should fear what comes next” | BigDataAnalytics bigdata LINK



Theory of Sampling (TOS)

What is Theory of Sampling (TOS)?
TOS is a theory about the sampling of materials.
Here are some recommended links.


Links
Pierre Gy (1924–2015): the key concept of sampling errors
Gy’s sampling theory
TOS forum edited by Professor Kim H. Esbensen


Presentations
Representative Sampling – a critical success factor for all analytical endeavors (incl. NIR), Kim Esbensen, IDRC 2014

Papers
Theory of sampling (TOS) versus measurement uncertainty (MU) – A call for integration, Kim H. Esbensen, Claas Wagne


Books
Process Analytical Technology: Spectroscopic Tools and Implementation Strategies for the Chemical and Pharmaceutical Industries, Second Edition, Chapter 3. Process Sampling: Theory of Sampling – the Missing Link in Process Analytical Technologies (PAT), Katherine A. Bakeev, Kim H. Esbensen and Peter Paasch-Mortensen


Related: Why NIR Method Maintenance?