Integrated NMR solutions to increase pharma productivity

Optimize throughput

with self-calibrating, intelligent NMR spectrometers

Boost turn-around-time

with fully automated workflows for maximal quality

Minimize downtime

using proven hardware and pro-active, automated diagnosis

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Maximize Productivity with Bruker NMR Solutions

Maximize Robustness and Versatility

From early discovery to late development and quality control, the reliability of analytical systems is critical. Building on more than 60 years of expertise, Bruker's NMR spectrometers deliver state-of-the-art capabilities with proven robustness. Enhancements like the new generation of Ascend Evo Magnets - designed for helium hold times of up to a year¹ - help ensure uninterrupted operation, while the latest SmartProbe iProbe generation delivers a unique combination of sensitivity and versatility, enabling the implementation of virtually any liquid-state NMR workflows. Combined with large capacity autosamplers, such as SampleCase or SampleJet (with optional temperature regulation), fully continuous operations can be easily implemented for maximal throughput.

Minimize Downtime and Maintenance

Focus on results and forget about maintenance and calibration. With AutoCalibrate, all routine spectrometer calibrations and control are made fully automatic, ensuring constant quality. Day-to-day operations run seamlessly, enabling experts to focus on high-value tasks and non-experts to access NMR spectrometers that are always operating in optimal conditions. In addition, AutoCalibrate delivers streamlined reports, allowing you to directly pick up any deviations or trends. It can be coupled with AutoDiagnose for direct system status and health monitoring. All critical system parameters are automatically controlled, and results are accessible in a user-friendly graphical interface, making routine monitoring and proactive maintenance even simpler.

Boost Turn Around Time and Throughput

Optimal use of instrument time is key to ensuring short turnaround times and a return on investment. For routine 1D and 2D experiments, SmartDriveNMR enables acquisition under full automation with on-the-fly optimized settings, ensuring data quality in the minimal amount of time. It enables consistent results in both quality and productivity, all without supervision.

When it comes to data processing, the new, unique tools based on deep learning integrated into Topspin speed up time-to-results and enhance reliability for both automated and manual workflows.

Finally, the new Advanced Chemical Profiling software delivers hands-off sample-to-report capabilities for any quantitative NMR workflows, from simple purity assays on pure products to challenging impurities quantitation in complex mixtures. It is seamlessly integrated for push-button operations to allow you to get the most out of your systems.

¹⁾ For 400 & 500 MHz Evo Magnet

Example of AutoCalibrate 1-page report allowing direct general pass/fail assessment and more details information about performed tests, namely shim optimization, proton and carbon pulse check (and re-calibration if required), temperature control (with adjustment of calibration if required) and finally accuracy for qNMR with external calibration.

Example of direct monitoring of cryogenic levels (left) and message (right) from the AutoDiagnose web interface. It enables one-stop control of all connected NMR spectrometers, through a unified interface that is accessible remotely.

Schematic representation of SmartDriveNMR workflow:
1. The user creates and submits the acquisition job. The description of the job mainly contains time allocations and might include structural information.
2. A fast 1D proton spectrum is collected and analyzed.
3. Depending on the analysis results concerning complexity of the problem and the signal strength, further experiments with optimal parameters can be triggered by the software.
4. Follow-up experiments are scheduled and acquired in full automation if sufficient time is available. Software delivers recommended follow-up if the allocated time is too short to deliver high quality data.

Details of on-the-fly optimization provided by SmartDrive for 2D acquisiton: With the 1D Proton spectrum and the structure (if available) as the input (1) a conservative upper limit for the amount of sampling (NUS%) is estimated (2) e.g. 49%. Now the acquisition of the 2D experiment is started with a significantly lower NUS% than the conservative estimate e.g. 15%. The acquisition continues, increasing the NUS% step by step until the spectrum reaches a high quality and is free of artefacts without passing the conservative estimate (3).

Example of the benefit of the new deep-learning based apbk algorithm for phase and baseline correction (inc. in automation): optimal phase and baseline are obtained with apbk (blue) while the older apk/abs algorithms can fail. Apbk was optimized to address both ¹H and heteronuclei such as ¹⁹F here (mixture of fluorinated species, 400 MHz NEO, 5 mm iProbe BBFO, 100 mM mixture in CDCl₃ ).

Example of the new deep-learning based sigreg algorithm for easier integration, including in automation. Sigreg allows for automatic, parameter-free, signal region detection of ¹H NMR spectra and was trained to mimic expert-level integration, significantly improving performances compared to older algorithms, including in the presence of broad signals.

Example of direct and fully automated multi-attribute quantification performed with the Advanced Chemical Profilling software (ACP). Hands-off workflows can be easily implemented for push-button quantitative analysis in both simple and complex samples. It significantly speeds-up time-to-results and ensures operator-independent high-throughput testing.

Webinars

Streamlining NMR Spectrometer Usage, a Use-Case of SmartDriveNMR for Pharmaceutical Industry

Optimizing NMR acquisition time while ensuring spectral quality remains a key challenge in high-throughput environments. This webinar presents a use-case of SmartDriveNMR to automate parameter selection and streamline routine structural analysis in a pharma open-shop environment.

Making Sure Your Instrument Performs Optimally

There are different schools of thought regarding what tests should be run in order to ensure your NMR spectrometer is performing optimally. In this webinar we will cover the tests that are most important to carry out and how tools such as AutoCalibrate and AssureSST can facilitate testing.

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On Demand

Deep Learning Based Phase and Baseline Correction on NMR Spectra

Bruker's commitment in developing artificial intelligence based NMR applications has led to a new function available in TopSpin: the automation simultaneous phase and baseline correction of ¹H
NMR spectra.

Testimonials

Leimin Wang, Scientist, Roche

Using AutoCalibrate with our open access 400 MHz Neo spectrometer has been a game-changer. It ensures consistent data quality for our users through full automation, saving valuable time for NMR experts who can now focus on more demanding tasks without compromising day-to-day operations.

The automated calibration process is user-friendly to set up and then runs reliably without any intervention. It automatically updates the shims and optimize the pulses so resolution and sensitivity are optimal. The generated reports provide an easy way to check the spectrometer's health and performance at a glance. AutoCalibrate has also enabled us to catch drifts and proactively anticipate maintenance needs, avoiding downtime and ensuring the quality of our data remains uncompromised.

Overall, AutoCalibrate is a great addition to our laboratory, ensuring reliable operations for our open-access NMR system without the need for regular supervision.

Related Products

Support

LabScape

Service & Life Cycle Support for Magnetic Resonance and Preclinical Imaging

Bruker’s commitment to provide customers with unparalleled help throughout the buying cycle, from initial inquiry to evaluation, installation, and the lifetime of the instrument is now characterized by the LabScape service concept.

LabScape Maintenance Agreements, On-Site On-Demand and Enhance Your Lab are designed to offer a new approach to maintenance and service for the modern laboratory