Assure Raw Material Screening
Easy, Customizable, Automated NMR
Innovation with Integrity
NMR
Define NMR, Your Way
Characterization of Polymers and Base Oils
Competitor analysis of polymers and base oils protects intellectual property and assists in the development of new, cutting edge products. Traditionally, polymer and base oil characterization needed a highly
knowledgeable NMR spectroscopist to manually interpret large numbers of NMR spectra. Now, with
Assure-RMS, the spectroscopist can simply tell the software what to do.
Define the steps for spectra analysis according to your own criteria, then watch the fully automated
acquisition, analysis, and reporting software rapidly evaluate your materials, for both competitor analysis
and R&D and production support. Chemometric analysis within Assure-RMS makes a rapid distinction
between acceptable products or starting materials and materials failing product specifications.
Tools for Customization
Example Schematic for Customization of
Assure-RMS Software on Poly(Vinyl) Alcohol
Spectral Database Builder
n
Identify Possible Constituents
n
O
H3C
n
O
Ensures reference spectra are readily
available for any analysis
Enables direct import into Assure-RMS
Method Builder
OH
Polyvinyl alcohol
(PVOH)
Polyvinyl acetate
(PVAc)
Assign Spectral Components
(Compound, Atom type, etc.)
Interactive Method Builder
PVAc,
CH
H2O
PVAc,
CH2
PVOH, CH
PVAc,
CH3
n
PVOH,
CH2
User-Defined Equations
n
n
Define Equation for Analysis
Encodes user-specific analysis methods
using python scripts
Provides reporting of spectral information
as required
Chemometric Tool
n
n
n
Define Reporting Mechanism
Facilitates rapid method build-up and
evaluation procedure
Enables the generation and use of Bucket
tables, Quantile plots, SIMCA Models
Material Classification
PLS regression
Botanical Characterization of Ginseng and Blueberry
With Assure-RMS the identity, purity, quality and strength determination of botanical material can now be reported
in full automation. When used with user-defined chemometric models and NMR Spectral Databases, the component
match and classification features provide simultaneous quantitative and qualitative assessment of botanical extracts.
Outlier detection tools in Assure-RMS assist with the identification of adulterants, known impurities, residual solvents,
unexpected materials, and component change with changes in growing conditions and processing methods. AssureRMS provides an automated solution for material assessment.
Ginseng root extract is used as a traditional botanical
wellness supplement. The North American species
is highly prized, and manufacturers are focused on
securing market share through Growth Location, Species
Identification and Product Development.
Assure-RMS SIMCA Classification Tool
identifies a ginseng sample as a North
American Ginseng (Panax quinquefolius)
from a farm in Delhi, Ontario, Canada.
Blueberry leaf extract is used in traditional medicine
in Canada. Quality issues are related to Species
Identification and the Quantification of Key Components
to determine expected product performance.
Automated data acquisition, processing
and analysis
PASS
Assure-RMS Quantile Plot Tool identifies product
differences - Component Outliers - between a North
American Ginseng model (multicolored) and a test
sample (black). Identity of Component Outliers are
identified using a user-defined Spectral Database.
Material passes product requirements:
n Species identified as Vaccinium angustifolium
(low bush blueberry)
n Key Components are identified and present in
expected amounts
n Product meets quality expectations and does
not contain unexpected materials
Outliers
Product details are additionally reported:
n Classification results
n Component identity
n Quantification results
Compound
Reference
Ginsenosides (1.59 ppm)
Sucrose
Maltose
Mean % (mol)
Ontario Landrace
#5
100.00
1.60
7.66
Mean % (mol)
Asian Ginseng
100.00
0.71
2.76
Quantification results provide assistance
with product development.
Features
Automated Reporting
Assure-RMS provides automated, customizable reporting of material
identity, component identity and quantification and classification
including:
n QC Pass/Fail Report
n Detailed Expert Report
n Custom Reports
n Exportable Excel Summary
System Suitability Test - Assure-SST
The fully automated suitability test validates instrument performance
and maintains the system through shim maintenance, enabling
operation in GLP/GMP environments. The validation covers:
n 1H Lineshape
n 1H, 13C, 19 F and 31P Sensitivity
n Temperature Calibration
n User Defined Experiments
Assure-SST is also available as a standalone product.
User-Defined Quantification
Quantification standards for any supported nuclei are easily definable,
enabling the user to set the thresholds for standard pass/fail criteria
in accordance with institutional standards. Instrument quantification
calibration is maintained in full automation. Result reporting options
include, reported to relative or total intensity:
n Absolute molar or weight
n Relative molar or weight
NMR Spectral Database
Bruker BioSpin Corp.
assure@bruker-biospin.com
www.bruker.com/assure
© Bruker BioSpin 04/13 T143147
Component identification relies on matching with an NMR Spectral
Database (SBASE). When using Assure-RMS software, both Brukersupplied or user-generated SBASES enable screening of many
components simultaneously. Assure-RMS SBASE Set 1 is supplied
with a sbase of 40 common chemicals, including 1D and 2D spectra at
300, 400 and 600 MHz. Additional Assure-RMS SBASES are optionally
available, including:
n Assure-RMS SBASE Set 2
n Assure-Aloe SBASE
n Assure-Heparin SBASE