Introducing PathWays ENCOMPASS NEW Product Announcement

Open-Access Sample Submission for NMR Tubes!

Protasis introduces web-centric, enterprise-wide NMR sample
submission software running IN THE CLOUD to support Bruker
tube changers (e.g. SampleJet, SampleXpress or BACS). That’s
right, Protasis is now running NMR TUBES!

Encompass uses an attractive Javascript front-end (Sencha

ExtJS Framework), a secure central database (Oracle SQL
Standard Edition), and a custom instrument controller
(Microsoft WebAPI in C#) for each spectrometer that interfaces
directly to Bruker’s IconNMR/Topspin software.

In addition to facilitating the submission, confirmation and monitoring of the sample, Encompass also
accepts PE-Cambridgesoft Chemdraw structures (by drag and drop, .mol, .cdx or. smi) at data entry and
integrates seamlessly with ACD Spectrus for automated spectral report generation.

Encompass is designed to save keystrokes and footsteps. For example, it can use your LDAP or Active
Directory—no need to setup new usernames and passwords. Submit samples from you workbench, a
tablet or your smart phone—it knows who you are!
Encompass can be customized to your aesthetics and tailored to match your accounting and archiving
systems. It works with One-Minute NMR as well to provide a consistent user interface across multiple
vendor instruments, different changers/loaders and software platforms. Our larger goal is to harmonize
the front-end for One-Minute NMR, Bruker IconNMR and potentially other automation systems.

This was a big project for Protasis so we are glad to be running with it. We would be happy to show you
more, when convenient. Our server is online (on VPN) so it is easy to demonstrate in a WebEx session.

©2017 Protasis Corporation CALL 508.481.4163

 PANIC – February 15, 2016
ACD User Meeting

Submit Your NMR Sample To Any Spectrometer In Seconds

David Strand, Protasis Corporation, 190 Cedar Hill St, Marlborough, MA

In 2016, Protasis introduces open-access, sample submission software for NMR Tubes. PathWays
Encompass is a web-centric, enterprise-wide automation system running IN THE CLOUD to support
Bruker tube changers (e.g. SampleJet, SampleXpress or BACS).

Encompass uses an attractive Javascript front-end (e.g., Sencha ExtJS Framework), a secure central
database (Oracle SQL Standard Edition), and a custom instrument controller (Microsoft WebAPI in C#)
for each spectrometer that interfaces directly to Bruker’s IconNMR/Topspin software.

In addition to facilitating the submission, confirmation and monitoring of the sample, Encompass also
accepts PE-Cambridgesoft Chemdraw structures (by drag and drop, .mol, .cdx or. smi) at data entry and
integrates seamlessly with ACD Spectrus for automated spectral report generation.
Encompass is designed to save keystrokes and footsteps. For example, it can use your LDAP or Active
Directory—no need to setup new usernames and passwords. Submit samples from you workbench, a
tablet or your smart phone—it knows who you are!

Encompass can be customized to your aesthetics and tailored to match your accounting and archiving
systems. It also works with One-Minute NMR as well to provide a consistent user interface across
multiple vendor instruments, different changers/loaders and software platforms. The larger goal is to
harmonize the front-end for One-Minute NMR, Bruker IconNMR and other automation systems and
provide seamless integration with ACD Spectrus.

PROGRAM

Integrated Automation and Data Management in the NMR Lab

Better tools are always required to smooth the pathway from sample through acquisition to data to
knowledge, integrating as many legacy systems as possible. Protasis presents here a web-centric,
enterprise-wide automation software - PathWays Encompass, which supports Bruker’s IconNMR and
any sample changer that is associated with it. Data can readily be passed to ACD/Spectrus for analysis,
automated verification, and reporting. Structures can be included in most standard commercial
formats. Metadata is accessible through Active Directory or LDAP.

©2017 Protasis Corporation CALL 508.481.4163

©2017 Protasis Corporation CALL 508.481.4163
PathWays CARAVAN - Open-Access Synthesis Confirmation

Protasis introduces walk-up, open-access synthesis confirmation for active universities!

Features:

• Entry-level confirmation system for universities

• Multiple sample solvent flexibility
o Synthesis solvents (e.g., chloroform)
o Library solvents (DMSO)
o Common inert push liquid
• Eliminate tube cost, washing and breakage

Includes:

• SHUTTLE Compact (two-tray) Autosampler

• Probe Options
o CapNMR FlowThru Probe™
▪ NEW 1.7mm (30uL) flowcell
o CRYOFLOW Insert
▪ works with Bruker or Agilent
▪ works with Bruker Prodigy
o Thermo/picoSpin Benchtop NMRs
▪ works with 45 MHz and 80 MHz
• Pump options
o MAESTRO Fixed Displacement Piston Pump
o MAGPIE Continuous Flow MicroGear Pump
• FCPL Inert Fluorcarbon Push Liquid Cartridge
We have taken the best elements of our popular One-Minute NMR automation systems and created an
affordable, entry-level system, we call CARAVAN. We configured this system specifically for busy
graduate synthesis groups and undergraduate teaching labs in Chemistry Departments at major
research universities. CARAVAN can easily traverse diverse application terrain on your next QC
expedition in synthesis confirmation.

©2017 Protasis Corporation CALL 508.481.4163

 The system uses a compact autosampler (made for us by Spark-
Holland), that we call SHUTTLE. It supports two trays which could be
96- or 384-well plates or 54 vials/tray or one of each. Samples are
picked up and deposited into the loop (typically the same volume as
your NMR flowcell) of a low-dead-volume, rotary injection valve.
SHUTTLE includes inside and outside needle wash with drying. One-
Minute NMR software programs injector washes and needle washes
between each sample. An optional solvent selection valve (SSV)
allows for different wash solvents.

CARAVAN provides sample solvent flexibility by using a common, inert

fluorocarbon push liquid to bracket the sample (in the loop) and
then move the resulting sample plug down the transfer line.
Because the push liquid is immiscible with all common NMR
solvents the sample retains its volume and dispersion is
eliminated (we call this Zero Dispersion Sample Loading, or
ZDSL). This allows us to open up tubing diameters (to about
200um, similar to your HPLC systems) to reduce back-pressure,
increase flowrates (to reduce transport time) and reduce plugging
problems. We use a single, continuous microgear pump to move drive sample delivery.

To further optimize the fluid path, CARAVAN uses the CapNMR FlowThru Probe. This new probe has the
same, proven microcoil detector found in Classic CapNMR probes but we have opened up the inlet and
outlet vias to 200um to match the transfer line diameters used in segmented flow. Eliminating
dispersion enables exact matching of the sample plug to the flowcell active volume, effectively doubling
signal over conventional sample loading.

CARAVAN works with One-Minute NMR (for Windows 7 or 10) and our new ENCOMPASS web interface.
Chemists can submit samples from their workbench to secure a berth on the magnet. Then simply drop
them off and confirm placement in the autosampler to complete the reservation and start the
acquisition cycle. Monitor results during acquisition and receive an email when analysis is complete.
Full integration with ACD Spectrus with emailed results.
The result is a faster, simpler sample delivery system that allows synthesis chemists to walk-up with
their confirmation sample in an 2mL vial in any NMR solvent and get rapid, automated confirmation.

The original One-Minute NMR automation systems based upon the CTC/LEAP liquid handler have been
highly successful in Medicinal Chemistry departments at large pharmaceutical companies (e.g. Novartis,
Pfizer, Merck, Amgen) and active synthesis groups in major research institutions (e.g., Boston
University’s CMLD). Most of these labs are building libraries in DMSO (and occasionally chloroform or
methanol). These systems were optimized for high throughput with some customers running 10,000+
NMR samples per year.

Now we have taken the best elements of these large systems and configured a compact, affordable
walk-up system ideal for facilities that want to offer the sample flexibility and cost savings of walk-up
vials or microplate studies.

©2017 Protasis Corporation CALL 508.481.4163