1 NMR For The Serious Organic Chemist Easy Open Access, High Sensitivity, High Throughput NMR...

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NMR For The Serious Organic ChemistEasy Open Access, High Sensitivity, High Throughput NMR Platform

• Easy• Robust• Fast• Efficient• Economical• Controllable• Flexible

Copyright © 2008 by Protasis Corporation, All Rights Reserved

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Answers Needed From NMR


90%

9% 1%

Did I makethe stuff?What is thisstuff?Other

Source: Survey of 40+ Industry and Academia by Protasis Corporation

Bonus: yield (ERETIC)Percentage Of Samples

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IntroducingThe One-Minute NMR System

• Optimized Liquid Handling• Application-Tuned CapNMR Probe• Exclusive Spectrometer Interfaces• Robust Software• Collaboration With Partners and End-

Users


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What is it?

Everyone wants a magic wand!

Leap/CTC PALLiquid Handler

CapNMR ProbeNMR Spectrometer

ACD/Automation Server

E-Mail OrWeb Site

You Just Log In Samples

One-Minute NMRManages The Details

ACD/Web Librarian

Did I make it?

Yield?


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MRM CapNMRTM Microcoil Probes

• 5-10 microliter flow cell = 8 – 15 microliter samples

• Best mass sensitivity• Short acquisition times• Concentration > 1mM works well

UseCapNM

R


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One-Minute NMR Software

• 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

Web-Based Open Access Sample Queue Management


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8

Click…

Minutes Later…In your InBox

Hot-linked E-mail reportIntegrated ACD/Web Librarian


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The Advantages of CapNMR (micro-scale)

Use MS vial directly or 50-100µg with a filter vial

Add solvent, centrifuge

Click Run To Start

Before you get back to the lab, e-mail arrives.

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Scaled-Down Purifications

Scrape off a spot into filter. Add DMSO-d6, spin.

Collect fractions at analytical scale HPLC

Exchange to minimal DMSO-d6

A

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A

Can you spare a few µg? No waiting at the NMR Lab! No return trip!

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The Advantages ofCapNMR (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

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Automated Quality Controland 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

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ACD/Labs Structure Confirmation and DatabasingAdaptive Experiments Get Results, Save Time

1D Proton

>= 1D Proton Acceptance Level

HSQC

ConfirmedRejected

>= AVG(HSQC + 1H1D) Acceptance Level

YESNO


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LEAP PAL

• Fast• Low Volume Pickup• Low Dead Volume• Syringe-Only

Technology• Flexible Sample

Storage • Dilute /

Reconstitute• Sample Return


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The advantages of going tubeless…

•No shimming between samples

•No washing tubes

•Minimal sample transfer

•Efficient storage

•Disposable

•Economical

Incredible Time Savings


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Effortless Solvent Management

• Vacuum Degasser– Smooth

MicroFlows

• Helium Sparging / Blanketing– Protect

Expensive Deuterated Solvents

• Automatic System Checks

Helium

NE

ED

LE

V3

SAMPLES

SY

RIN

GE

The Deuterated Solvent Conditioning Module mounts conveniently in the door of the Discovery Tower

Vacuum


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SO

LV

. A W

AS

TEINJECT

V2

LOOP

SAMPLES

NE

ED

LE

SY

RIN

GE

High Pressure PUMP


Ca

pN

MR

PR

OB

E

High Throughput Sample Loading

Sample Return Option

1-2 min.

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Robust Operation

• Multiple maintenance counters• Automatic instrument reboot• E-mail alerts• Inline filtration with pressure

monitoring• Improved NMR Error Reporting• 2+ years of continuous

operation

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• Varian– Sun TCP/IP

Sockets

• Bruker– Windows Drive

Mapping– SGI / Linux TCP/IP

Sockets

• OthersEasy instrument

integration

Spectrometer Interfaces


Router

RSH(a.shimFile)RPAR(a.experiment, "all")

SETCURDATAXCMD("gpro")

RGASTOREPAR("NS", a.scans)

STOREPAR("SW", a.sweepWidth)STOREPAR("o1p",

a.centerOfSpectrum)exptime = CalcExpTime();

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Actual Use Case: Major Pharmaceutical Company

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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

“If utilization gets to 100% there is a hanging.”


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Use Case: Major Pharmaceutical Company

2 One-Minute NMR Discovery Tower Systems + ACD/Labs AutomatedStructure Confirmation

• Actual Use: 4000 / month• Capacity: 8000+ / month • Structure Verification for Every Sample• 1D Verification, 60% Accurate• Water Suppression• ERETIC Quantitation

“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.”

A


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Actual Use Case: Major Pharmaceutical Company

Before * After

Direct Labor and Utilization

Labor FTEsActual Use

“I just scan the barcode label and click Start.”

A


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One-Minute NMR™Open Access, High Throughput NMR Platform

• 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

• E-Mail reporting– HTML Plate Maps– Error Alerts– Forgotten Passwords

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


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Help spread the word!

www.protasis.com508-481-4163

Now NMR is easier and faster

One-Minute NMR

http://www.protasis.com/

Date post:	27-Dec-2015
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1 NMR For The Serious Organic Chemist Easy Open Access, High Sensitivity, High Throughput NMR...

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