NMR SOFTWARE

Advanced Chemical Profiling:
Automated Identification and Quantification

Comprehensive hands-off automation from physical sample to digital report

seamlessly integrated into the standard NMR instrument control software

Highlights

Hands-Off Operation
Hands-Off Sample Automation, Data Acquisition & processing, Identification & Quantification, Report Filing, Result Submission
NMR Reference Management
New benchmark-setting external and internal NMR quantification and calibration management feature
From Sample to Report
Seamless integration with TopSpinTM, IconNMRTM, and GoScan for comprehensive automated workflows
Operator-independent high-throughput testing at a single button press
For optimized result comparability and lab-to-lab method harmonization across the entire value chain

Advanced Chemical Profiling​ :  One Integrated Solution Covering 80 to 800 MHz NMR​

Our new NMR-based Advanced Chemical Profiling Software offers a truly automated, end-to-end workflow from sample to actionable information, eliminating the need for hands-on spectroscopist intervention.

Advanced Chemical Profiling processes, and interprets NMR data and files conclusive reports. It is easily applicable to substances in pure form or mixtures allowing identification and quantification of constituents in incoming goods, process intermediates, and final product formulations. The comprehensive workflow automation enhances process efficiency and quality in R&D lab-scale, pilot, and volume production processes.

The database-driven solution allows in-house NMR experts to create and implement new testing methods directly in non-NMR-expert production environments. The software automation achieves increased result consistency and comparability with operator-independent report generation.

The completely automated but tailored workflows add significant value to high-throughput environments such as production-linked labs, analytical testing services, R&D centers, and pilot-upscaling support functions within centers of excellence.

Fourier 80 and Avance 400 - 800 MHz NMR spectrometer

 

Advanced Chemical Profiling

  • Free-of-charge software and tutorial video download
  • Installation into TopspinTM  without administrator privileges
  • Free of charge database and method creation
  • Ask us for a free of charge demo licence to run your first analysis


Discover Tutorials

  • Database setup
  • Creating reference standard
  • Calibrations with external standards
  • Method setup
  • Analysing mixture with ACP
  • Reports and interacting figures
  • Users experience show case

Features

  • State-of-the-art automation software for identifying and quantifying substances in pure form or mixtures.
  • Seamless integration with TopSpinTM, IconNMRTM, and GoScan for comprehensive automated workflows from sample to report.
  • New benchmark-setting external and internal NMR reference management feature.
  • Analytical methods executable by non-NMR-Experts with a single button press.
  • Operator-independent high-throughput testing for optimized result comparability and lab-to-lab method harmonization.
  • Best-in-class method creation tool with intuitive operation for exceptional ease of use.
  • Full on-premise installation ensuring IP security and method ownership.
Figure 2: Advanced Chemical Profiling report one page example

Advanced Chemical Profiling Workflow

Testimonials

dsm-firmenich Science & Research

At dsm-firmenich, we’re at the forefront of innovation in nutrition, health, and beauty. We create sustainable solutions that impact our daily lives. Our cutting-edge approaches drive progress, with one area of focus being the development of novel bioprocesses.

In our R&D lab, we regularly use Nuclear Magnetic Resonance (NMR) to screen new fermentation processes. These advanced bioprocesses involve complex mixtures of media components and metabolites. Our goal is to gain an in-depth understanding and enable data-based development of new procedures.

Through our long-standing partnership with Bruker, we have been testing the latest software release from their Advanced Chemical Profiling Solution. This supports the development of the kinds of analytical workflows we use, seamlessly integrating data acquisition, processing, interpretation, and report filing. It streamlines analytical workflows and makes it easier to compare results.

Bruker’s software platforms can be used to support scale-up from development to manufacturing. As new production routes are rolled out into manufacturing, process monitoring with a benchtop NMR system would be feasible. Bruker’s Fourier 80 benchtop system, equipped with the same Advanced Chemical Profiling Solution, could support process control in production labs.

An integrated NMR methodology - combining high-field NMR in R&D labs with benchtop systems in manufacturing - opens exciting opportunities for the industry. End-to-end use of Bruker’s solutions can make it easier to develop efficient, scalable processes.

Dr. Matthias Abele, Head of EHSQ & Sustainability, Evonik

Bruker’s new Advanced Chemical Profiling software can significantly enhance the mixture analysis process due to its robust and accurate identification and quantification feature. The complete integration into the instrument control software TopSpin and the sample automation software IconNMR™ allows for comprehensive workflow creation from the sample in the queue till the analysis report. Various concentration units and intuitive internal and external reference management makes the new software suitable for many existing analytical workflows. Once the individual methods are validated and implemented into the automated workflow, the push-button operation and operator-independent data interpretation matches industrial product quality control requirements.

Unlocking NMR Potential: Elevating NMR Beyond Structural Elucidation

R&D Lab - Structure Elucidation

Your Everyday NMR Challenge:

  • Structure elucidation by NMR​
  • Special analytical escalation cases
  • Analytical questions beyond other techniques

The Advanced Chemical Profiling Solution will support you

  • Expand your portfolio with identification and quantification services
  • Provide services to neighboring departments at no extra cost
  • Use unused nighttime measurement slots for fully automated analysis without manual data interpretation or report filing
  • Enhance NMR relevance within your organization and justify investments with multi-purpose NMR applications

R&D Lab - Process Screening

Your Everyday NMR Challenge:

  • Screening of formulations, reactions, synthesis output​
  • Monitoring of media, intermediates, raw materials​, stock solutions
  • Defining and qualifying methods for validation roll-out into manufacturing (pilot or volume)

The Advanced Chemical Profiling Solution will support you

  • Enhance statistical data interpretation with increased automated throughput
  • Ensure highly trained experts focus on valuable tasks only
  • Achieve more comparable results with operator-independent report generation
  • Implement expert-developed R&D testing methods directly in non-NMR-expert production environmentsShare spectral databases and methods across your entire organization

NMR-based  Analytical Services

Your Everyday NMR Challenge

  • Analyzing samples of internal or external customers​
  • Implement tailored methods consistently
  • File and submit analysis reports

The Advanced Chemical Profiling Solution will support you

  • Boost throughput with automated sample-to-report routines
  • Develop diverse methods for various use-cases
  • Standardize and harmonize testing methods for all customers
  • Automate professional report generation for direct submission
  • Reduce time-to-result for enhanced customer satisfaction
  • Scale to new business opportunities without additional costs

QC Lab @​ Manufacturing

Your Everyday NMR Challenge

  • Quality control testing of products
  • Screening and control of incoming goods
  • Analyzing process intermediates
  • Troubleshooting and failure analysis

The Advanced Chemical Profiling Solution will support you

  • Boost throughput with automated sample-to-report routines
  • Achieve operator-independent results in multi-shift environments
  • Standardize and harmonize testing methods across the entire value chain
  • Reduce time-to-result with automated batch-release testing
  • Scale to different product lines without additional costs
  • Enhance IP security with on-premise installation

Are you living in a Distributed Lab Topology Environment?

Globally organized companies might request from their labs these duties

  • Method developed on R&D High-Resolution (HiRes) NMR systems​
  • Pilot manufacturing support by R&D department​
  • Volume manufacturing method development for non-expert operation (QC)​
  • QC method validation via R&D method

The Advanced Chemical Profiling Solution will support you in:

  • Direct HiRes NMR method roll-out to QC if needed
  • HiRes NMR to benchtop NMR method translation if possible​
  • Direct (HiRes/HiRes) or In-Tech (HiRes/Benchtop) method validation decreases time-to-market
  • ​Database-driven method scaling opportunity to other product lines (same instrument possible)​

 

 

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