1. Copyright © 2008 by Protasis Corporation, All Rights Reserved
NMR For The Serious Organic Chemist Easy Open Access, High Sensitivity, High Throughput NMR Platform
Easy
Robust
Fast
Efficient
Economical
Controllable
Flexible
Protasis/MRM’s Open Access HT-NMR platform provides you with a new way to enhance the performance of your existing NMR system with high-throughput automation and high-sensitivity capillary NMR probes.
Whether your samples are drug leads, natural products, metabolites, or proteins, our system provides maximum performance at a price that will fit the tightest budget and allow you to meet the increasing throughput demands of your organization.
Finally an NMR platform ties everything together in a way that gives you the answers you need in the most efficient way possible.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

2. Copyright © 2008 by Protasis Corporation, All Rights Reserved
Answers Needed From NMR
In a recent survey of industry and academic NMR facilities we found that approximately 90% of all samples are in the lab to answer the question: “Did I make the stuff.”
Because structure verification is the main mission of NMR we have teamed up with ACD/Labs, and collaborated with our customers, to deliver the most advanced verification system in the industry. With the addition of ERETIC quantitation your NMR system can also provide reaction yield for novel compounds better than any other analytical method.
The combination of fast NMR runs, vial and plate sample formats, automated structure verification, and quantitation brings NMR back into the game compared to mass spec, and surpasses it with better quality data.
For those of you who need to know “What is this stuff?” we are researching the integration ACD/Labs structure elucidation software using adaptive NMR experiments and will be bringing it your researchers in the future.
Percentage Of Samples
Bonus: yield (ERETIC)
Source: Survey of 40+ Industry and Academia by Protasis Corporation
Copyright © 2008 by Protasis Corporation, All Rights Reserved

3. Introducing The One-Minute NMR System
Optimized Liquid Handling
Application-Tuned CapNMR Probe
Exclusive Spectrometer Interfaces
Robust Software
Collaboration With Partners and End-Users
Protasis delivers amplified performance to your NMR systems by combining the right components with robust and easy to use automation software.
The Swiss-built CTC robot is the quality and market leader for sample management because of its simple design and versatility. The system allows for multiple standard and custom vial and tray formats.
A range of options are possible, including heated and cooled sample drawers, simple tray holders, multiple drawer stacks, and syringe options.
The Protasis Discovery Tower protects your deuterated solvent and makes everything easier by wrapping the solvent delivery pumps, solvent degasser, and computer control into single tight package.
The key to success has always been to understand customer needs and deliver solutions that work.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

4. Copyright © 2008 by Protasis Corporation, All Rights Reserved
Everyone wants a magic wand!
Yield?
What is it?
Did I make it?
You Just Log In Samples
Leap/CTC PAL
Liquid Handler
Information Flow Or
Web Site
One-Minute NMR
Manages The Details
Some scientists have a passion for NMR spectroscopy, but most people just want the answers it provides. The people who need the answers would rather use a magic wand if they knew the answers were correct. By combining your NMR spectrometer with efficient sample management, intelligent instrument control, and the latest post-processing software, researchers get the answers they need in minutes.
Let us show you how the One-Minute NMR system manages everything from sample loading to concise reporting of structure confirmation results in a way that can easily fit your budget.
CapNMR Probe NMR Spectrometer
ACD/Web Librarian
ACD/Automation Server
Copyright © 2008 by Protasis Corporation, All Rights Reserved

5. MRM CapNMRTM Microcoil Probes
5-10 microliter flow cell = 8 – 15 microliter samples
Best mass sensitivity
Short acquisition times
Concentration > 1mM works well
Use CapNMR
For more than five years, day-in, day-out, the Protasis/MRM family of MicroFlow NMR probes has routinely provided customers with low-noise spectra from microgram and even nanogram-scale samples.
The increased signal-to-noise of the CapNMR probe enables shorter acquisition times using the same sample mass.
The intrinsic sensitivity of the CapNMR probe allows acquisition of sensitivity-improved spectra on lower-field magnets, providing economical, higher-field results by upgrading older NMR systems.
Protasis automation systems make loading the CapNMR Probe easy by delivering the perfect-sized sample, rapidly and efficiently, every time.
Our probe is endorsed by lab mice everywhere because a mouse cannot survive the 50 microliters or more required for other probes. With CapNMR, 5 microliters of blood can be drawn from a single mouse at multiple points in a study without requiring a different mouse each time.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

6. Copyright © 2008 by Protasis Corporation, All Rights Reserved
One-Minute NMR Software
Web-Based Open Access Sample Queue Management
Secure Log-In
Individual sample entry and Molecule upload
Automated Quality Control and Performance Monitoring
.ZIP/.CSV Sample lists and molecule upload
Bar-code support
Open SQL Server
Custom Fields
LDAP Login
The Protasis One-Minute NMR software is a 100% Web-Browser-based automation console accessible from Windows, UNIX, Macintosh, and Linux. Graphical sample entry is done on a single common Web page in three easy steps that are the same for every type of instrument.
Your sample queue is visible at the bottom of the web page and can be edited directly.
Simple setup screens for user administration, permissions and instrument configuration are available as separate pages.
Your sample data can be imported or entered at your desk, and are immediately visible when you log in at the lab to place your samples on the system and start your run.
With the use of a bar-code scanner and sample lists from a spread-sheet or LIMS system, well-plate login can be performed by clicking the Import button, scanning the barcode on the plate, and pressing Run. All of the information for structure confirmation and distribution to multiple users is imported in a single ZIP file.
An integrated structure rendering program allows you to easily verify the identity of your molecule during sample submission. Dozens of molecule file formats are supported and automatically converted to MDL MOL format for structure verification.
Custom sample entry fields allow One-Minute NMR to be efficiently customized to your open-access environment and adopted by your user base.
With the ability to conveniently log-in samples in a few seconds and with fluidic cycle times as short as one minute, the One-Minute NMR system can easily acquire and process hundreds of spectral results every day.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

8. Copyright © 2008 by Protasis Corporation, All Rights Reserved
Minutes Later…
Click…
In your InBox
Your magnet isn’t a magic wand, but the information flows the same way. As soon as all your samples are complete One-Minute NMR sends an HTML- formatted displaying a plate map and tabulated results for each experiment with different symbols for confirmed and rejected samples.
No other system provides this level of integration and ease of use.
Our and web-based system sends an HTML link to the ACD data-based and interpreted results directly to you, so you can have the information not only when you need it, but where you need it, and in the most concise format available.
Automated structure confirmation provides incredible value by shortening or eliminating the time lost to processing NMR data, interpreting spectra, storing results, and formatting data for print or publication.
Our integration with ACD/Labs software is unique. By choosing to work cooperatively, Protasis, ACD/Labs, and our collaborators in industry, are forcing a revolution in NMR by bringing the power of its information to everyone who needs it.
Hot-linked report
Integrated ACD/Web Librarian
Copyright © 2008 by Protasis Corporation, All Rights Reserved

9. The Advantages of CapNMR (micro-scale)
Use MS vial directly or µg with a filter vial
Click Run To Start
Add solvent, centrifuge
Before you get back to the lab, arrives.

10. The Advantages of CapNMR (micro-scale)
Scaled-Down Purifications
Scrape off a spot into filter. Add DMSO-d6, spin.
Exchange to minimal DMSO-d6
Collect fractions at analytical scale HPLC

11. The Advantages of CapNMR (micro-scale)
Can you spare a few µg?
No waiting at the NMR Lab!
No return trip! A

12. The Advantages of CapNMR (quantitation)
NMR is the most accurate form of quantitation (with no standard)
Accurate quantitation is important for screening
Tube NMR has problems, tuning and shimming affects signal strength and quantitation
CapNMR is the ideal ERETIC and quantitation platform

13. The Advantages of CapNMR (micro-scale)
Reaction Optimization
8x Reaction Block
All Results ed in 90 min.
Starting conditions
Filter or SPE
time (minutes)
Get yield with ERETIC

14. Automated Quality Control and Performance Monitoring Automation Requires Continuity
QC Samples
Check S/N, line shape, extra signals
Run at regular intervals or on demand
Certified sealed vials available
Pressure monitoring and History
Gas manifold and bottle integrity checks

15. Copyright © 2008 by Protasis Corporation, All Rights Reserved
ACD/Labs Structure Confirmation and Databasing Adaptive Experiments Get Results, Save Time
1D Proton
>= 1D Proton Acceptance Level NO
YES
HSQC
Our current structure confirmation interface uses the ACD/Labs 1D and combined 1D+2D structure verification modules. All that is needed is an attached molecule file and One-Minute NMR handles the rest.
The software analyzes the results from a 1D structure verification before deciding to run an HSQC or continue to the next sample. An HSQC experiment optimized for the CapNMR probe can run in 8 minutes.
The processing time for 1D verification is typically 30 seconds or less. Subsequent processing of 2D and 1D results is done as a parallel process during acquisition of the next sample. Combined 1D + 2D structure verification is what delivers the verification performance you need.
The result of structure verification is a simple thumbs-up/thumbs-down symbol for each sample with hot-links to the ACD databased results.
>= AVG(HSQC + 1H1D) Acceptance Level
Rejected
Confirmed
Copyright © 2008 by Protasis Corporation, All Rights Reserved

16. Copyright © 2008 by Protasis Corporation, All Rights Reserved
LEAP PAL
Fast
Low Volume Pickup
Low Dead Volume
Syringe-Only Technology
Flexible Sample Storage
Dilute / Reconstitute
Sample Return
The LEAP PAL liquid handler has been popularized in mass spec where its short fluid path and low volume pickup make it ideal in sample-limited applications.
Unlike mass spectrometers, the Protasis NMR automation system optionally returns your sample to the original well.
The PAL uses a Hamilton syringe to load your samples, and provides flexible storage options, including heated or cooled drawers to protect your samples until use.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

17. The advantages of going tubeless…
Incredible Time Savings
No shimming between samples
No washing tubes
Minimal sample transfer
Efficient storage
Disposable
Economical
Don’t underestimate the efficiency and cost savings that can be achieved by switching to standard sample formats.
The CapNMR probe flow-cell is effectively a single tube. As long as you use the same solvent shimming and locking is unnecessary between samples. When solvents switch, One-Minute NMR automatically loads the shims for that solvent from a file.
For high-throughput applications the burden of transferring samples to tubes is prohibitive. For open-access applications walkup users have to transfer their sample in and out of an NMR tube themselves, and the time required for sample transfer and dissolution is a hidden cost.
In many cases samples are already in a vial or plate because they have been submitted for Mass Spec or other analysis. The ability to use these samples directly on your NMR eliminates the wasted effort of tube use.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

18. Effortless Solvent Management
Vacuum Degasser
Smooth MicroFlows
Helium Sparging / Blanketing
Protect Expensive Deuterated Solvents
Automatic System Checks
The Deuterated Solvent Conditioning Module mounts conveniently in the door of the Discovery Tower
SYRINGE
Our Discovery Platform gives you added flexibility.
For example, Discovery protects your deuterated solvents three ways with helium sparging, blanketing with helium to prevent atmospheric exchange, and vacuum degassing immediately before use.
Flexible six-way selection valves allow automatic selection of any one of three solvents without worrying about immiscibility problems.
NEEDLE V3
Helium
Vacuum
SAMPLES
Copyright © 2008 by Protasis Corporation, All Rights Reserved

19. High Throughput Sample Loading
High Pressure PUMP
LOOP V2
CapNMR PROBE
SOLV. A
WASTE
SYRINGE
1-2 min.
INJECT
NEEDLE
Regardless of whether you select the full-featured Discovery system or Protasis’ Entry-Level single-solvent automation system, you will achieve the same high-throughput and optimized liquid handling performance.
LEAP liquid handlers eliminate the 50% or greater sample dilution that occurs with other flow automation systems by only touching your sample with a syringe and a ¼ microliter dead-volume injection port.
The One-Minute NMR Software maximizes sample throughput by multi-tasking operations and using full closed-loop control.
This means that the moment an acquisition is finished on one sample, processing is started in the background, and the next sample is immediately delivered to the CapNMR probe for analysis.
Sample Return Option
SAMPLES
Copyright © 2008 by Protasis Corporation, All Rights Reserved

20. Robust Operation Multiple maintenance counters
Automatic instrument reboot
alerts
Inline filtration with pressure monitoring
Improved NMR Error Reporting
2+ years of continuous operation

21. Spectrometer Interfaces
Varian
Sun TCP/IP Sockets
Bruker
Windows Drive Mapping
SGI / Linux TCP/IP Sockets
Others
Easy instrument integration
RSH(a.shimFile)
RPAR(a.experiment, "all")
SETCURDATA
XCMD("gpro")
RGA
STOREPAR("NS", a.scans)
STOREPAR("SW", a.sweepWidth)
STOREPAR("o1p", a.centerOfSpectrum)
exptime = CalcExpTime();
Our exclusive NMR instrument interfaces enable a common end-user experience across all platforms.
Each instrument interface communicates with your NMR in the way that is optimal for your system. One-Minute NMR uses a combination of macros that run your NMR and a communication protocol to transmit commands to the NMR computer and receive instrument status.
The Varian system uses a set of Magical scripts in VNMR from a computer-controlled TCP/IP socket.
The Bruker system uses a set of AU macros and either a TCP/IP socket or Windows drive mapping.
Optimized instrument interfaces for more systems are being developed, and continuous improvements based on end-user experiences are incorporated into every new version.
The Protasis/MRM sales and technical teams are eager to discuss incorporating special instrument interfacing needs into your system.
Router
Copyright © 2008 by Protasis Corporation, All Rights Reserved

22. Actual Use Case: Major Pharmaceutical Company
Before One-Minute NMR
3 NMR Systems
5mm Tubes
Open-Access
Chemists Prepare Samples
Chemists Interpret Spectra
Actual use: 600 samples / month.
Capacity: 1900 samples / month
A recent survey of One-Minute NMR customers has revealed the benefits of the system compared to tube automation and other flow automation systems.
The data from a major pharmaceutical customer shows that before One-Minute NMR they were running about 600 samples per month on three instruments using 5mm tubes.
Chemists would prepare samples and interpret spectra themselves. A
“If utilization gets to 100% there is a hanging.”
Copyright © 2008 by Protasis Corporation, All Rights Reserved

23. Use Case: Major Pharmaceutical Company
2 One-Minute NMR Discovery Tower Systems + ACD/Labs Automated
Structure Confirmation
Actual Use: 4000 / month
Capacity: / month
Structure Verification for Every Sample
1D Verification, 60% Accurate
Water Suppression
ERETIC Quantitation
After the installation of two One-Minute NMR systems actual used of the system has increased to over 4000 samples per month, automated structure verification and quantitation is done for every sample. NMR is now being run as a service for over 120 chemists with one less instrument than before.
We were told by this customer that “One-Minute NMR puts NMR back in the game for structure verification compared to Mass Spec.”
“Different dynamics now: Verification, used to be done by chemists. It is easy with familiar compounds, but hard when chemistry changes. The demand went way up from Parallel Medicinal Chemistry. It puts NMR back in the game for structure verification.”
Copyright © 2008 by Protasis Corporation, All Rights Reserved

24. Actual Use Case: Major Pharmaceutical Company
The decreased labor input along with dramatic gains in throughput and ease of use is what makes this customer a big fan of One-Minute NMR.
This user runs plates that are prepared by the purification group and arrive with a barcode label affixed to the plate. The barcode label is the name of a sample list to be imported into the software. To run an entire plate this customer just scans the barcode label and clicks start.
The overall reduced cost per sample, and the higher quality of structure verified NMR data, is what makes One-Minute NMR the best provider of the mission-critical information needed by laboratories everywhere.
“I just scan the barcode label and click Start.”
Copyright © 2008 by Protasis Corporation, All Rights Reserved

25. One-Minute NMR™ Open Access, High Throughput NMR Platform
Exclusive Attributes
Productivity Features
QC Samples
Priority Samples
Night Samples
Probe Clean
Solvent Select
Sample Return
Sample List Importing
Structure Confirmation
Custom Counters
Custom Fields -> NMR Dataset Parameters
SQL Database
Pressure Monitoring
Solvent System Checks
Macros
Dilution
User List Importing
Automatic instrument reboot
Secure Open-Access Web Interface
Integrated LEAP/CTC Liquid Handler
Multiple vial/plate sample formats
Safe Solvent Management
Degassing, Sparging, Blanketing
Solvent Selection
High-Throughput Sample Loading and Analysis
1-minute loading, 1-scan 1D proton
Closed-Loop Spectrometer Control
Run -> Idle ->Run
Error handling
Automated Structure Confirmation
Integrated 1D+2D ACD/Labs
Automated/adaptive experimental design
DataChord Integration
reporting
HTML Plate Maps
Error Alerts
Forgotten Passwords
The list of features in The One-Minute NMR software is already extensive and in-use today by pharmaceutical and university customers running thousands of samples from standard laboratory consumables with their LEAP PAL liquid handler.
Every One-Minute NMR feature, and optimized NMR experiment, was developed at the request of our customers and many of the features are not found in any other NMR automation system. We continue to make changes to the platform, learning from every customer, and transferring the sum of the technology to our entire user base with each new version.
This technology transfer is your source of value, starting from the day your new system is installed, and continuing every day that you use the system.
Copyright © 2008 by Protasis Corporation, All Rights Reserved

26. Help spread the word! Now NMR is easier and faster One-Minute NMR