Advanced Chemical Profiling:
Automated Identification and Quantification

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.

• 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.

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

Forensic Narcotics Testing

Your Everyday NMR Challenge

• Analyzing narcotics samples
• Identifying and quantifying suspicious substances
• Detecting New Psychedelic Substances (NPS)
• Filing and submitting reports for legal proceedings

The Advanced Chemical Profiling Solution will support you

• Identify narcotics, cutting agents and fillers through automatic database matching
• Hit the ground running with free-of-charge narcotics and fillers database
  
• Share database with your forensic network in a Distributed Lab Topology
• Quantify constituents of confiscated samples
• Detect unknown compounds / NPS
• Automate professional report generation for documentation and legal proceedings
  

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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