Chemometrie und Nah-Infrarot Spektroskopie Neuigkeiten Wöchentlich #11, 2015

Holen Sie sich die Chemometrie und Spektroskopie Nachrichten in Echtzeit auf Twitter @ CalibModel


 

Chemometrics

Low-Content Quantification in Powders Using Raman Spectroscopy:..Chemometric Approach to Sub 0.1% Limits of Detection LINK
Check out this SSPC publication! Low-content quantification in powders using Raman spectroscopy LINK
Feasibility Study for Transforming Spectral and Instrumental Artifacts for Multivariate Calibration Maintenance LINK
ICA-Based Algorithm for Automatic Identification of Raman Spectra Applied to Artistic Pigments and Pigment Mixtures LINK
Optimization of NIR spectroscopy based PLSR models for critical properties of vegetable oils in biodiesel production LINK
Using iSPA-PLS and NIR spectroscopy for determination of total polyphenols and moisture in commercial tea samples LINK

Near Infrared

Broadband near-infrared spectroscopy of organic molecules on compact photonic devices LINK
NIR-Online-Systeme eröffnen neue Dimensionen der Qualitätskontrolle im Mischfutterwerk … LINK
Novel method to correct for wood MOE ultrasonics and NIRS measurements on increment cores in Liquidambar styraciflua LINK
Texas Instruments announces industry’s first fully programmable MEMS chipset f/ NIR analysis LINK
Forearm Deoxyhemoglobin and Deoxymyoglobin (Deoxy[Hb + Mb]) Measured by Near-Infrared Spectroscopy (NIRS) LINK
Determination of Copper & Zinc Pollutants in Ludwigia prostrata Roxb Using Near-Infrared Reflectance Spectroscopy LINK

Raman

Using Raman spectroscopy to characterise dental caries LINK
Global raman spectroscopy industry research report for 2015 just published – WhaTech LINK
Continuous Temperature-Dependent Raman Spectroscopy of Melamine and Structural Analog Detection in Milk Powder LINK

Equipment

New Handheld Analyzer Combines FTIR and Raman Technologies – Thermo Scientific Gemini LINK
First and only handheld integrated Raman and FTIR instrument – Thermo Scientific Gemini LINK
How Rebellion Photonics built a business on gas fumes | Hyperspectral LINK
Making a traditional miniature spectrometer smaller. Spark-VIS from LINK
Bruker’s NEW BRAVO – Handheld Raman Spectrometer LINK
Spectroscopy: Shrinking spectrometers permit novel applications. LINK
Live Demo of Bruker’s New HTS-250 FT-NIR Auto Sampling System LINK
Bruker Launches New BRAVO Handheld Raman Spectrometer for Raw Materials Identification LINK

Agriculture

Cheaper Sensors Will Fuel The Age Of Smart Everything LINK
Rambus Lensless Smart Sensor: A Tiny Image Sensor Designed For IoT – LINK

Pharma

NEW GENERATION OF RAMAN – COST EFFECTIVE RAW MATERIAL ID & PRODUCT ID OF PHARMACEUTICALS LINK

Other

Forbidden quantum leaps possible with high-res spectroscopy LINK
Frozen highly charged ions for highest precision spectroscopy LINK
THE SECRET TO HOW CHAMELEONS CHANGE COLOR: NANOCRYSTALS LINK
Spectroscopy Applications Offer Insight on Measurement Challenges LINK
40 darn good reasons to save seeds this year: LINK
Support research, education, extension. GoodAdviceIn4Words LINK!
Twenty one amazing reasons why forests are important LINK

CalibrationModel.com

9 Reasons why near-infrared Spectroscopy Applications need periodic Calibration Maintenance! LINK
Development of quantitative Multivariate Prediction Models for Near Infrared Spectrometers | NIRS NIR SWIR HSI LINK
Do you use Molecular Spectroscopy with Multivariate Regression Models? TimeSaver | … LINK
Do you use a near-infrared Spectrometer with Chemometric Methods? This will save you time NIR NIRS SWIR NIT LINK
Easy NIR Spectroscopy Calibration LINK
Efficient development of new quantitative prediction equations for multivariate data like NIR spectra | spectrum LINK
Efficient development of new quantitative prediction equations for multivariate data like NIRS spectra | AgTech LINK
Erstellung und Optimierung von chemometrischen Auswertemethoden für NIR Spektrometer | nearIR Labor nahinfrarot NIR LINK
Improve Accuracy of fast Nondestructive NIR Measurements by Optimal Calibration | foodquality agtech Lab biotech LINK
Improve Accuracy of fast Nondestructive NIR Measurements by Optimal Calibration | Food Feed FoodSafety mills Lab LINK
Increase Profit with optimized NIR Accuracy QC QA Food Feed Milk Production laboratory pauto process LINK
Increase Profit with optimized NIR Spectrometer Accuracy measure quality control parameters analyze diagnostics LINK
Increase Your Profit with optimized NIR Spectroscopy Analysis Process Control Monitoring LINK
Increase Your Profit with optimized NIR Accuracy Laboratory QC QA Food Feed Aquaculture petfood grain milk LINK
It is very unlikely for a tweet on “Chemometrics” to be retweeted. LINK
News: Chemiometria e Spettroscopia Weekly News 10, 2015 | NIRS Spettroscopia Chemiometria news LINK
News: Chemometrics and Spectroscopy News Weekly 10, 2015 | … NIRS Spectroscopy Chemometrics news Pittcon15 LINK
News: Chemometrie und Spektroskopie Neuigkeiten Wöchentlich 10, 2015 | NIRS Spektroskopie Chemometrie news LINK
Pro Tip: Die NIR-Kalibrierung ist der zentrale Schlüssel zur genauen NIR Messung LINK
Quantitatⅳe Analytical NIR Method Development Serⅵce 4 Quality Control Laboratory&Analytical Laboratories 4 Food QAQC LINK
Service für Professionelle Entwicklung von NIR-Kalibrierungen | NIRS NearInfrared Spektroskopie NahInfraRot LINK
Services for Professional Development of NIR Calibrations | NIRS Near-Infrared-Spectroscopy QA QC Laboratory LINK
Successful Application Development with NIR spectroscopy for quantitative determination LINK
WHITEPAPER: Knowledgebased Chemometric Software for NIR Calibration Modeling | NIRS LINK
free WHITEPAPER: A Novel knowledgebased Chemometric Software for quantitative NIR Calibration Modeling | NIRS LINK

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! See How it works

Summary of the NIR Chemometric survey polls

Summary of the NIR Chemometric survey polls (as of end of Sept. 2013)

The interesting finding is that most of the answers fit the following pattern. The most companies that use NIR have one NIR Instrument and only one employee that is able to develop NIR calibrations. For that the most common off-the-shelf chemometrics program is used and spent 2 hours or over a month and therefore gets no calibration training about the complex topics like Chemometrics and NIR Spectroscopy or only once (introduction). The calibration maintenance ranges from never to 3 times a year. Interestingly, there was no one who uses portable NIR instruments. We continue our surveys, for the discovery of new trends. Conclusion Seeing this picture, we think that there is huge potential to improve the calibrations. Advanced knowledge can help individuals to build the calibrations with best practices and improve their models accuracy and reliability. Once the decision and investment in NIR technology is done, you should get the best out of your data, because this extra NIR performance can be given by calibration optimization. We offer this as an easy to use and independent service.

Wer nutzt diese Art von NIR Kalibrations Service

  • NIR Labor Analyzer Anwender
  • NIR Laboratories
  • NIR Analysen Service
  • NIR Lebensmittelsicherheit, Umgang mit Lebensmitteln, Ernährung, Landwirtschaft
  • NIR-Feed und Grünfutter
  • Saatgutproduzenten, Pflanzenzüchter
  • NIR Lab Instrument Services
  • NIR Kalibrations Spezialisten
  • NIR Qualitätssicherung und Qualitätskontrolle (QA / QC)
  • NIR Forensik
  • NIR Prozess Kontrolle
  • NIR Process Analytical Technology (PAT)
  • Forschung & Entwicklung, Entwicklung neuer Analyseverfahren
  • NIR-spektrometrische Methoden-Entwicklung
  • NIRS Methoden Entwickler
  • NIRS Applikations Entwickler
  • NIR-Spektroskopie Doktorarbeit
  • NIR Chemometrische Doktorarbeit
  • NIR Applikations Spezialist
  • NIR Analytical Scientist
  • NIR Machbarkeitsstudien
  • NIR Außendienst
  • NIR Verkäufer
  • NIR-Anbieter
  • NIR Anwender
  • NIR Chemometriker
  • NIR Spektroskopiker
  • PAT Ingenieur
  • Qualitäts Manager
  • Labor Manager
  • usw.