Spectroscopy and Chemometrics News Weekly #31, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #31, 2019Spettroscopia e Chemiometria Weekly News #31, 2019

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Spectroscopy and Chemometrics News Weekly 30, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 30, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor Labs LINK

Spettroscopia e Chemiometria Weekly News 30, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction calibration LINK



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



Chemometrics

"Application of Near-infrared Spectroscopy and Multiple Spectral Algorithms to Explore the Effect of Soil Particle Sizes on Soil Nitrogen Detection" LINK

"A Calibration Transfer Methodology for Standardization of Raman Instruments with Different Spectral Resolutions using Double Digital Projection Slit" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts." LINK

"Classification of Hen Eggs by HPLC-UV Fingerprinting and Chemometric Methods" Foods LINK

"Application of Near Infrared Spectroscopy Combined with SVR Algorithm in Rapid Detection of cAMP Content in Red Jujube" LINK

"基于相似性度量的改进 KS 算法对近红外光谱分析模型的影响研究" "Influence of Similarity Measure Based Improved KS Algorithm on Near-Infrared Spectroscopy Analysis Model" LINK

"Classification of amino resins and formaldehyde near infrared spectra using K-nearest neighbors" LINK

"Automated near infrared analyzer validation (ASTM D6122) for the oil and gas industry" LINK




Near Infrared

"Construction of Database System on Amylose and Protein Contents Distribution in Rice Germplasm Based on NIRS Data" LINK

"Detection of intracranial hematomas in the emergency department using near infrared spectroscopy" LINK

"Non-destructive determination of taste-related compounds in tomato using NIR spectra" LINK

is proud to present our new paper on Near infrared diffuse reflectance spectroscopy for rapid and comprehen... LINK

Jean-Martial Johnson, Elke Vandamme, Kalimuthu Senthilkumar, Andrew Sila, Keith D.Shepherd, Kazuki Saito ' Near-infrared, mid-infrared or combined diffuse reflectance spectroscopy for assessing soil fertility in rice fields in sub-Saharan Africa' Geoderma LINK

.Sensomics - From conventional to functional NIR spectroscopy - Shining light over the aroma and taste of foods - LINK

"Aquaphotomics - From Innovative Knowledge to Integrative Platform in Science and Technology" Molecules water NIRS biomonitoring biomeasurements LINK

"Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry" LINK




Infrared

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods" LINK

"Data on near infrared polarization spectroscopy measurements to evaluate the potential of the Mueller matrix elements in characterization of turbid liquid samples." LINK

"Moisture content detection of maize seed based on visible/near‐infrared and near‐infrared hyperspectral imaging technology" LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology" LINK

"Discrimination of CRISPR / Cas9-induced mutants of rice seeds using near-infrared hyperspectral imaging." LINK

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods." LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology." LINK




Raman

"IJMS, Vol. 20, Pages 3398: Analysis of Human Colon by Raman Spectroscopy and Imaging-Elucidation of Biochemical Changes in Carcinogenesis" LINK

Fortbildungskurs zur “Schwingungsspektroskopie für die chemische Qualitäts- und Prozesskontrolle: Theorie, Instrumentation und Applikationen für die Raman-, Mittel-Infrarot, Nah-Infrarot und Fern-Infrarot Spektroskopie“ 17.-19. September 2019 Essen, BRD LINK




Hyperspectral

"Application of Hyperspectral Imaging as a Nondestructive Technique for Foodborne Pathogen Detection and Characterization" LINK

"Optimal Band Selection for Improvement of Hyperspectral Palmprint Recognition System by Using SVM and KNN Classifier" LINK

"Mapping the spatiotemporal distribution of acid and moisture in food structures during gastric juice diffusion using hyperspectral imaging" LINK

"Hyperspectral imaging for a rapid detection and visualization of duck meat adulteration in beef" LINK




Equipment

"Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices." LINK




Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers." LINK




Agriculture

"Evaluation of two compact near-infrared spectrometers for the detection of microplastics in soil samples" LINK

"Estimation of Crop Chlorophyll Content by Spectral Indices Using Hyperspectral Non-imaging Data" LINK

"Evaluation of Pretreatment Methods for Prediction of Soil Micronutrients from Hyperspectral Data" LINK

"Investigating the total antioxidant capacity of gluten-free grains with miniaturized near-infrared spectrometer" LINK




Food & Feed

"Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)" LINK




Chemical

"Some Applications of Vibrational Spectroscopy for the Analysis of Polymers and Polymer Composites" LINK




Other

"근적외선분광분석에 의한 동아시아 지역 재래종 벼 유전자원의 아밀로스 및 단백질함량 변이분석" LINK





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CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 30, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 30, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor Labs LINK

Spettroscopia e Chemiometria Weekly News 30, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction calibration LINK



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



Chemometrics

"Application of Near-infrared Spectroscopy and Multiple Spectral Algorithms to Explore the Effect of Soil Particle Sizes on Soil Nitrogen Detection" LINK

"A Calibration Transfer Methodology for Standardization of Raman Instruments with Different Spectral Resolutions using Double Digital Projection Slit" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts." LINK

"Classification of Hen Eggs by HPLC-UV Fingerprinting and Chemometric Methods" Foods LINK

"Application of Near Infrared Spectroscopy Combined with SVR Algorithm in Rapid Detection of cAMP Content in Red Jujube" LINK

"基于相似性度量的改进 KS 算法对近红外光谱分析模型的影响研究" "Influence of Similarity Measure Based Improved KS Algorithm on Near-Infrared Spectroscopy Analysis Model" LINK

"Classification of amino resins and formaldehyde near infrared spectra using K-nearest neighbors" LINK

"Automated near infrared analyzer validation (ASTM D6122) for the oil and gas industry" LINK




Near Infrared

"Construction of Database System on Amylose and Protein Contents Distribution in Rice Germplasm Based on NIRS Data" LINK

"Detection of intracranial hematomas in the emergency department using near infrared spectroscopy" LINK

"Non-destructive determination of taste-related compounds in tomato using NIR spectra" LINK

is proud to present our new paper on Near infrared diffuse reflectance spectroscopy for rapid and comprehen... LINK

Jean-Martial Johnson, Elke Vandamme, Kalimuthu Senthilkumar, Andrew Sila, Keith D.Shepherd, Kazuki Saito ' Near-infrared, mid-infrared or combined diffuse reflectance spectroscopy for assessing soil fertility in rice fields in sub-Saharan Africa' Geoderma LINK

.Sensomics - From conventional to functional NIR spectroscopy - Shining light over the aroma and taste of foods - LINK

"Aquaphotomics - From Innovative Knowledge to Integrative Platform in Science and Technology" Molecules water NIRS biomonitoring biomeasurements LINK

"Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry" LINK




Infrared

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods" LINK

"Data on near infrared polarization spectroscopy measurements to evaluate the potential of the Mueller matrix elements in characterization of turbid liquid samples." LINK

"Moisture content detection of maize seed based on visible/near‐infrared and near‐infrared hyperspectral imaging technology" LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology" LINK

"Discrimination of CRISPR / Cas9-induced mutants of rice seeds using near-infrared hyperspectral imaging." LINK

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods." LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology." LINK




Raman

"IJMS, Vol. 20, Pages 3398: Analysis of Human Colon by Raman Spectroscopy and Imaging-Elucidation of Biochemical Changes in Carcinogenesis" LINK

Fortbildungskurs zur “Schwingungsspektroskopie für die chemische Qualitäts- und Prozesskontrolle: Theorie, Instrumentation und Applikationen für die Raman-, Mittel-Infrarot, Nah-Infrarot und Fern-Infrarot Spektroskopie“ 17.-19. September 2019 Essen, BRD LINK




Hyperspectral

"Application of Hyperspectral Imaging as a Nondestructive Technique for Foodborne Pathogen Detection and Characterization" LINK

"Optimal Band Selection for Improvement of Hyperspectral Palmprint Recognition System by Using SVM and KNN Classifier" LINK

"Mapping the spatiotemporal distribution of acid and moisture in food structures during gastric juice diffusion using hyperspectral imaging" LINK

"Hyperspectral imaging for a rapid detection and visualization of duck meat adulteration in beef" LINK




Equipment

"Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices." LINK




Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers." LINK




Agriculture

"Evaluation of two compact near-infrared spectrometers for the detection of microplastics in soil samples" LINK

"Estimation of Crop Chlorophyll Content by Spectral Indices Using Hyperspectral Non-imaging Data" LINK

"Evaluation of Pretreatment Methods for Prediction of Soil Micronutrients from Hyperspectral Data" LINK

"Investigating the total antioxidant capacity of gluten-free grains with miniaturized near-infrared spectrometer" LINK




Food & Feed

"Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)" LINK




Chemical

"Some Applications of Vibrational Spectroscopy for the Analysis of Polymers and Polymer Composites" LINK




Other

"근적외선분광분석에 의한 동아시아 지역 재래종 벼 유전자원의 아밀로스 및 단백질함량 변이분석" LINK





.

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 30, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 30, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor Labs LINK

Spettroscopia e Chemiometria Weekly News 30, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction calibration LINK



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



Chemometrics

"Application of Near-infrared Spectroscopy and Multiple Spectral Algorithms to Explore the Effect of Soil Particle Sizes on Soil Nitrogen Detection" LINK

"A Calibration Transfer Methodology for Standardization of Raman Instruments with Different Spectral Resolutions using Double Digital Projection Slit" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts." LINK

"Classification of Hen Eggs by HPLC-UV Fingerprinting and Chemometric Methods" Foods LINK

"Application of Near Infrared Spectroscopy Combined with SVR Algorithm in Rapid Detection of cAMP Content in Red Jujube" LINK

"基于相似性度量的改进 KS 算法对近红外光谱分析模型的影响研究" "Influence of Similarity Measure Based Improved KS Algorithm on Near-Infrared Spectroscopy Analysis Model" LINK

"Classification of amino resins and formaldehyde near infrared spectra using K-nearest neighbors" LINK

"Automated near infrared analyzer validation (ASTM D6122) for the oil and gas industry" LINK




Near Infrared

"Construction of Database System on Amylose and Protein Contents Distribution in Rice Germplasm Based on NIRS Data" LINK

"Detection of intracranial hematomas in the emergency department using near infrared spectroscopy" LINK

"Non-destructive determination of taste-related compounds in tomato using NIR spectra" LINK

is proud to present our new paper on Near infrared diffuse reflectance spectroscopy for rapid and comprehen... LINK

Jean-Martial Johnson, Elke Vandamme, Kalimuthu Senthilkumar, Andrew Sila, Keith D.Shepherd, Kazuki Saito ' Near-infrared, mid-infrared or combined diffuse reflectance spectroscopy for assessing soil fertility in rice fields in sub-Saharan Africa' Geoderma LINK

.Sensomics - From conventional to functional NIR spectroscopy - Shining light over the aroma and taste of foods - LINK

"Aquaphotomics - From Innovative Knowledge to Integrative Platform in Science and Technology" Molecules water NIRS biomonitoring biomeasurements LINK

"Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry" LINK




Infrared

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods" LINK

"Data on near infrared polarization spectroscopy measurements to evaluate the potential of the Mueller matrix elements in characterization of turbid liquid samples." LINK

"Moisture content detection of maize seed based on visible/near‐infrared and near‐infrared hyperspectral imaging technology" LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology" LINK

"Discrimination of CRISPR / Cas9-induced mutants of rice seeds using near-infrared hyperspectral imaging." LINK

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods." LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology." LINK




Raman

"IJMS, Vol. 20, Pages 3398: Analysis of Human Colon by Raman Spectroscopy and Imaging-Elucidation of Biochemical Changes in Carcinogenesis" LINK

Fortbildungskurs zur “Schwingungsspektroskopie für die chemische Qualitäts- und Prozesskontrolle: Theorie, Instrumentation und Applikationen für die Raman-, Mittel-Infrarot, Nah-Infrarot und Fern-Infrarot Spektroskopie“ 17.-19. September 2019 Essen, BRD LINK




Hyperspectral

"Application of Hyperspectral Imaging as a Nondestructive Technique for Foodborne Pathogen Detection and Characterization" LINK

"Optimal Band Selection for Improvement of Hyperspectral Palmprint Recognition System by Using SVM and KNN Classifier" LINK

"Mapping the spatiotemporal distribution of acid and moisture in food structures during gastric juice diffusion using hyperspectral imaging" LINK

"Hyperspectral imaging for a rapid detection and visualization of duck meat adulteration in beef" LINK




Equipment

"Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices." LINK




Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers." LINK




Agriculture

"Evaluation of two compact near-infrared spectrometers for the detection of microplastics in soil samples" LINK

"Estimation of Crop Chlorophyll Content by Spectral Indices Using Hyperspectral Non-imaging Data" LINK

"Evaluation of Pretreatment Methods for Prediction of Soil Micronutrients from Hyperspectral Data" LINK

"Investigating the total antioxidant capacity of gluten-free grains with miniaturized near-infrared spectrometer" LINK




Food & Feed

"Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)" LINK




Chemical

"Some Applications of Vibrational Spectroscopy for the Analysis of Polymers and Polymer Composites" LINK




Other

"근적외선분광분석에 의한 동아시아 지역 재래종 벼 유전자원의 아밀로스 및 단백질함량 변이분석" LINK





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How to develop near-infrared spectroscopy calibrations in the 21st Century? / Wie werden Nahinfrarotspektroskopie Kalibrierungen im 21. Jahrhundert entwickelt?

The Problem

Calibration modeling is a complex and very important part of NIR spectroscopy, especially for quantitative analysis. If the model is badly designed the best instrument precision and highest data quality does not help getting good and robust measurement results. And NIR Spectroscopy requires periodically recalibration and validation.

How are NIR models built today?

In a typical usage in industry, a single person is responsible to develop the models (see survey). He or she uses a Chemometric software that has a click-and-wait working process to adjust all the possible settings for the used algorithms in dialogs and wait for calculations and graphics and then to think about the next modeling steps and the time is limited to do so. Do we expect to find the best use-able or optimal model that way? How to develop near-infrared spectroscopy calibrations in the 21st Century?

Our Solution

Why not put all the knowledge a good model builder is using into software and let the machines do the possibilities of calculations and presenting the result? Designing the software that way, that the domain knowledge is built-in, not just only the algorithms for machine learning and make it possible to scale the calculations to multi-core computers and up to cloud servers. Extend the Chemometric Software with the Domain Knowledge and make as much computer power available as needed.

As it was since the beginning

User  → Chemometric Software → one Computer → some results to choose from

==> User's time needed to click-and-wait for creating results

Our Solution

User → (Domain Knowledge → automatized Chemometric Software) → many Computers → the best models

==> User's time used to study the best models and reasoning about his product / process

Note that the “Domain Knowledge” here does perfectly support the User's product and process knowledge to get the things done right and efficient.

Scaling at three layers

  • Knowledge : use the domain knowledge to drive the Chemometric Software
  • Chemometric Software : support many machine learning algorithms and data pre-processings and make it automatic
  • Computer : support multi-core calculations and scale it to the cloud
The hard part in doing this, is of course the aggregation of the needed domain knowledge and transform it into software. The Domain Knowledge for building Chemometric NIR Spectroscopic models is well known and it's huge and spreads multiple disciplines. Knowledge-driven software for computing helps to find the gold needle in the haystacks. It's all about scaling that makes it possible. See Proof of Concept.

New possibilities

  • NIR users can get help working more efficient and getting better models.
  • New types of applications for NIR can be discovered.
  • Evaluation of NIR Applications to replace conventional analytical methods.
  • Hopeless calibrations development efforts can be re-started.
  • Higher model accuracy and robustness can be delivered.
  • Automate the experimental data part of your application study.
  • Person independent optimization will show new solutions, because it's not limited by a single mindset => combining all the aggregated knowledge and its combinations.
  • Software independent optimization will show new solutions, because none of vendor specific limitations and missing algorithms are present => combining all open available algorithms and there permutations.
  • Computing service is included.

Contact us for trial

Your NIR data is modeled by thousands of different useful calibration models and you get the best of them! That was not possible before in such a easy and fast way! Start Calibrate See How it works