Welcome to: Bruker User s Meeting at PANIC

Transcription

1 Welcome to: Bruker User s Meeting at PANIC Kim Colson March 4, 2018 La Jolla, CA, USA March 6, 2018

2 Expanding NMR s Presence 2

3 NEWS: Opening Bruker s New Center of Excellence, February 2017 in Beijing, China Bruker continues its expansion and investments in China Bruker China HQ and Beijing operations now with larger collaboration and applications facility Modern Center of Excellence will be a hub in the thriving Chinese market 3

4 NEWS: New NMR Demo & Support Center in Faellanden (CH) - Please Visit Us! Applications, Collaborations & Demos Continuous Improvement of Global Customer Applications Support 4

5 263 GHz Klystron (EIK) The DNP Prodigy Solid State DNP NMR at 80% of the performance for 70% of the price GHz, frequency matched for DNP NMR applications 5 W output power, variable down to 1 W High frequency and power stability Fully integrated system with graphical user interface Low-loss microwave propagation Reduced siting requirements DNP Performance Klystron Gyrotron Total Cost of Ownership 263 GHz klystron in Billerica demo Lab (Shroud removed for visualization) 5

6 Hyperpolarized Solution-NMR Using dissolution DNP Prototype Polarizer Frozen solid T = 1.15 K, B = 6.7 T waves: 100 mw, 188 GHz ENS-Paris Installation 30,000x enhanced 1 scan, 500 MHz after 30 min DNP 1024 scans, 700MHz ~12 hours, no DNP Dumez, Jannin, Giraudeau Analyst. (2015) Innovation with Integrity 6

7 NEWS: Bruker BioSpin signs distribution agreement with PhoenixNMR Expanding the Available Portfolio Probes Available HFX SB 400MHz to 700MHz HFXY SB 400MHz to 700MHz Phoenix HFXY Probe Features Fully compatible with Bruker NMR Spectrometer and SB magnets Spinning systems from 1.2mm/60kHz to 6mm/9kHz Probes for proton frequencies of MHz Vt range from -125C to +150C Double broadband channel design - general tuning ranges of 15N to 31P 1H & 19F simultaneous tuning 3.2 mm (top) and 4mm probe (bottom) probe heads. Interchange of probe heads takes less than 10 minutes. Phoenix Probe Options available Low gamma tuning (as low as 15MHz) Deuterium lock channel (1.6mm & 3.2mm MAS systems) Vespel/PBI module - enhanced VT range of up to 300C Vespel or PCTFE stator - 1H OR 19F optimized probe Background 7

8 NEWS: microesr Product Line Acquisition of Active Spectrum, Inc. adds high-performing microesr spectrometers to EPR portfolio Research-grade Electron Spin Resonance (ESR) in a compact footprint Solidifies Bruker s leadership in EPR technology Robust and easy-to-use ESR for applied and industrial applications Food analysis Petrochem analysis Dosimetry QC Ideal as teaching tool in academic laboratories Plug and play: the microesr requires no special installation or regular maintenance Transportable: the microesr can fit in a fume hood or glove box Bruker BioSpin

9 microesr Shelf life analysis of food and beverages ESR forced oxidation assay (stress testing) measures free radical formation in the product of interest Samples are typically exposed to heat, UVirradiation, or pro-oxidants (transition metals) to oxidize The oxidation level in the sample is measured over time at specific time intervals The assay time ranges from 30 min to 3 hours A user friendly software interface with intuitive workflow is used to operate the microesr and perform the assay The ESR spectra and free radical concentration data is acquired, displayed and recorded in a convenient database file for future review and comparison.

10 microesr: Dosimetry Peak Amplitude Dose Response y = x R² = Dose, Gy After being irradiated, many substances contain stable free radicals and are therefore EPR active. Dosimeters that could be used in a nuclear event to determine the difference between fatal and treatable doses of ionizing radiation need to be detected as low as 1 Gy Good dosimetry samples have an EPR signal with an amplitude proportional to the dose. The above are ESR spectra of dosimeter calcium formate, Ca(OOCH) 2, irradiated with 50, 5, and 2 Gy The graph to the left shows the linear response between dose and peak-to-peak amplitude

11 microesr: Asphaltenes in crude oil Asphaltenes, a nuisance for refineries everywhere, are EPR active due to their vanadyl porphyrins (marked with blue arrows) and organic radical (marked with a red arrow) content. Asphaltenes tend to flocculate unpredictably, clogging the refinery and causing expensive shut-downs. With microesr one can create a calibration curve using known mass of crude and the concentration of asphaltenes in crude oil samples can be automatically determined. EPR spectrum of an asphaltene sample with a large vanadyl porphyrin signal. The arrows point to the vanadium signal. The large, unmarked narrow signal comes from organic radicals.

12 Our vision is to provide planned, proactive and predictive services with the goal of increasing the instrument up-time and to enhance the customer experience in such a way that our customers can focus on using the system for what really matters. With LabScape, we ve got you covered! 12

13 Reactive Proactive Predictive We will fix it when it is broken Up-time is not so relevant Mostly on-site and on-demand Avoid failure by preventively replacing parts with a know lifetime Improve reliability by standardized operation qualification testing Best with service agreements for guaranteed continuity Predictive Service: a key innovation Continuous measurement and analysis Predict upcoming failure Forecast remaining service life of components 13

14 Evaluating barriers to adoption of NMR Complex Data For Experts Only Ease of Use Complex Siting Acquisition Costs Maintenance Costs Which Prominent Barrier is Missing Here? See our Luncheon talk Tuesday Analytical Chemists We wish to be here We are here Barriers to Adoption of NMR

15 Lowering the Barriers to Adoption Towards NMR as a mainstream tool Cost of Ownership Cost basic NMR package ROI calculations high adoption barrier How do we get there? What are your ideas? lack of knowledge Training for nonexpert, videos expert tool reputation low ease of use Automation For non-expert AssureSST IconNMR GxP Package Analysis software CMCs (structure, qnmr) AssureNMR (identity, qnmr, classify, QC) FBS (screening) Potency (qnmr) InsightMR (kinetics) Applications Services to set this up. complex data complex siting Simplified siting and setup time Reduced space requirements Long hold times Service contracts for fills 6. März

16 GxP Readiness Kit Now Available An integrated suite of protocols, certificates and supporting documents. Saves Time Applicable to all high resolution NMR systems (both newly delivered and already installed) running TopSpin 3.5pl7 and above, equipped with a liquids probe. Installation & Operational Qualification (IQ/OQ) and Computer System Validation (CSV) protocols. Performance Qualification (PQ) supportive software with default standard and user defined tests (15 year license). TopSpin 21 CFR Part 11 compliance manual, and software validation certificates. Supplied with new NMR systems, but also retro-fitted to existing NMR systems in the field. Minimal disruption (typically <2 days) to the operation of existing NMR systems.

17 Proud Sponsor Bruker Fellowship for Excellence in NMR Validation presented by PANIC Provide education in NMR validation through fostering communication on NMR validation concerns in the community and presentation of results from our meetings and initiatives. 2 nd Award Recipient Elina Zailer Spectral Service U. Wuerzburg

18 Webinar Series 2017 Highlights Biologics Analysis Automating the qualitative and quantitative analysis of complex drugs using NMR Marco Guerrini, Kim Colson, Francesca Benevelli Food Fraud Is it Really pure honey? Detecting adulterations, frauds and quality issues by NMRbased honey profiling Thomas Bocher, Lea Heintz Extreme S/N Dynamic Nuclear Polarization in the Study of Pharmaceuticals Youngchao Su, Ivan Sergeyev Potency Potency Determination by qnmr Anna Codina, Fabrice Moriaud Fast Reactions Improving mechanistic understanding of fast Reactions using rapid, reproducible in situ analysis by stop flow NMR and IR Guy Lloyd-Jones Watch these at your convenience

19 Agenda 11:15 Expanding NMR s Presence (Kim Colson, BBIO) 11:35 New Practical Products from Bruker (Linda Okerlund, BBIO) 11:50 Development of Chemometric Methods for Natural Products Utilizing AssureNMR (Brian Killday, BBIO) 12:05 Multivariate Analysis of 2D NMR for Assessment of Biopharmaceutical Structure (John Marino, NIST) 12:25 Applied Industrial Clinical Applications of NMR (Niccy Tonge, BBIO) 12: NMR experiments in the household and kitchen (Bernd Diehl, Spectral Service) 1:00 Practical Applications of qnmr with Bruker Solutions (Fabrice Moriaud, BBIO) 1:15 Applications of Flow NMR and EPR in Pharma and Beyond (Anna Codina, BBIO) 1:30 Getting the most out of your NMR (Eric Johnson, BBIO) 1:50 Closing Remarks (Kim Colson, BBIO) Innovation with Integrity

20 Thank you! Copyright Bruker Corporation. All rights reserved.