polymer searching sf hbz meeting 2010 l.
Download
Skip this Video
Loading SlideShow in 5 Seconds..
Polymer searching SF-hbz meeting 2010 PowerPoint Presentation
Download Presentation
Polymer searching SF-hbz meeting 2010

Loading in 2 Seconds...

play fullscreen
1 / 44

Polymer searching SF-hbz meeting 2010 - PowerPoint PPT Presentation


  • 599 Views
  • Uploaded on

Polymer searching SF-hbz meeting 2010. Agenda. Polymer registrations in SciFinder Polymer Registry display Searching polymers Refine and categorize. Polymer registrations in SciFinder I. The CAS Registry file contains over 52 million small molecules

loader
I am the owner, or an agent authorized to act on behalf of the owner, of the copyrighted work described.
capcha
Download Presentation

PowerPoint Slideshow about 'Polymer searching SF-hbz meeting 2010' - richard_edik


An Image/Link below is provided (as is) to download presentation

Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author.While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server.


- - - - - - - - - - - - - - - - - - - - - - - - - - E N D - - - - - - - - - - - - - - - - - - - - - - - - - -
Presentation Transcript
agenda
Agenda
  • Polymer registrations in SciFinder
  • Polymer Registry display
  • Searching polymers
  • Refine and categorize

SciFinder is a registered trademark of the American Chemical Society

polymer registrations in scifinder i
Polymer registrations in SciFinder I
  • The CAS Registry file contains over 52 million small molecules
  • CAS assigns a specific CAS Registry number for each polymer based on its monomers or sometimes on the structural repeating unit (SRU)

SciFinder is a registered trademark of the American Chemical Society

polymer registrations in scifinder ii details
Polymer registrations in SciFinder II - Details
  • The CAS Registry Number for a polymer is specific to the building blocks (monomers) of the polymer
  • Polymers with specified stereochemistry (tacticity) are registered separately
  • Block, graft or alternating polymers are registered separately (since 1986)
  • No influence on registration:
    • The molecular weight (distribution)
    • number of repeating units
    • component ratio
    • physical characteristics
    • initiators or catalysts used

SciFinder is a registered trademark of the American Chemical Society

agenda5
Agenda
  • Polymer registrations in SciFinder
  • Polymer Registry display
  • Searching polymers
  • Refine and categorize

SciFinder is a registered trademark of the American Chemical Society

polymer registry display
Polymer Registry display

This CAS Registry number defines the polymer registration with its tacticity. The CAS RN is linked to 6 references

SciFinder is a registered trademark of the American Chemical Society

agenda7
Agenda
  • Polymer registrations in SciFinder
  • Polymer Registry display
  • Searching polymers
    • MF (Molecular Formula)
    • Structure repeating Unit (SRU)
    • Exact structure
    • Substructure
    • Topic
  • Refine and categorize

SciFinder is a registered trademark of the American Chemical Society

searching by mf
Searching by MF
  • For addition polymers and most condensation polymers put the molecular formula of the monomers, separated by dots, within brackets and close with an “X”
    • (C8H8)x for styrene homopolymer
    • (C8H8 . C5H8)x for styrene-isoprene polymers
  • For structural repeating units of symmetric condensation polymers put the formula of the repeating unit within brackets and close with an “N”
    • (C14H12O4)n for polybutylene terephthalate
    • (C2H4O)nCH4O for -methyl--hydroxy PE

SciFinder is a registered trademark of the American Chemical Society

searching by mf example c8h8 c5h8 x i
Searching by MF - Example (C8H8 . C5H8)x I

SciFinder is a registered trademark of the American Chemical Society

searching by mf example c8h8 c5h8 x ii
Searching by MF - Example (C8H8 . C5H8)x II

Names are per default included in the display

SciFinder is a registered trademark of the American Chemical Society

searching by mf11
Searching by MF
  • A molecular formula explore may include several structural isomers
  • To exclude unwanted isomers consider refining by exact structure
  • Multiple structures can be included in one refine step
  • Refine can also be used to eliminate radio labeled monomers

SciFinder is a registered trademark of the American Chemical Society

searching by mf refining by structure i
Searching by MF - Refining by structure I

SciFinder is a registered trademark of the American Chemical Society

searching by mf refining by structure ii
Searching by MF - Refining by structure II

SciFinder is a registered trademark of the American Chemical Society

slide14

Searching by MF - Refining by structure III

SciFinder is a registered trademark of the American Chemical Society

find alternative starting materials
Find alternative starting materials
  • For producing polybutylene terephthalate (PBT, RN 24968-12-5) there may be various starting materials
  • These would all have their own CAS RN
  • We locate some of these CAS RN’s in SciFinder to start a more comprehensive polymer search

SciFinder is a registered trademark of the American Chemical Society

search by sru of pbt i
Search by SRU of PBT I

References were limited to the preparation of polybutylene terephthalate

SciFinder is a registered trademark of the American Chemical Society

search by sru of pbt ii

References were limited to the preparation of polybutylene terephthalate and entries from 2005-

Search by SRU of PBT II

SciFinder is a registered trademark of the American Chemical Society

finding related registrations
Finding related registrations
  • Related registrations are often indexed in the same references as the SRU
  • Use the Get Related function to obtain a list of all prepared substances in these references
    • Number of references need to be <1000
    • Refine by publication year range if necessary
  • Run a structure search on the fragments of the starting material
  • Select the relevant monomer registrations

SciFinder is a registered trademark of the American Chemical Society

search by sru of pbt iii related polymers
Search by SRU of PBT III - related polymers

SciFinder is a registered trademark of the American Chemical Society

search by sru of pbt iv related polymers refine
Search by SRU of PBT IV- related polymers- refine

SciFinder is a registered trademark of the American Chemical Society

search by sru of pbt iv related polymers refine21
Search by SRU of PBT IV- related polymers- refine

SciFinder is a registered trademark of the American Chemical Society

reverse the view order i
Reverse the view order I

SciFinder is a registered trademark of the American Chemical Society

reverse the view order ii
Reverse the view order II

SciFinder is a registered trademark of the American Chemical Society

other starting materials
Other starting materials
  • Selected polymers based on other starting materials
    • Acid chlorides, esters, butyl ester of terephthalic acid, etc
    • Some are copolymers with polybutylene glycol
  • Found :
    • No additional components 5 polymers linked to 19552 references
    • With additional components 100 polymers linked to 21 094 references
  • The SRU is linked to 19,191 references
  • If you need the SRU for your polymer please contact

CAS helpdesk (help@cas.org)

SciFinder is a registered trademark of the American Chemical Society

search by exact structure i
Search by exact structure I
  • Polymers can be searched by their exact structure of the monomers
    • Doesn’t work for the SRU’s
  • Draw the structures of the monomers as individual entities
  • Select exact structure search to block further substitution
  • De-select “Include additional components” if no further monomers can be included

SciFinder is a registered trademark of the American Chemical Society

search by exact structure ii styrene isoprene polymers
Search by exact structure II –Styrene-Isoprene polymers

SciFinder is a registered trademark of the American Chemical Society

search by exact structure iii styrene isoprene polymers
Search by exact structure IIIStyrene-Isoprene polymers

Not checked!

SciFinder is a registered trademark of the American Chemical Society

with additional components 750
With additional components: 750

Not possible to limit the maximum number of components

SciFinder is a registered trademark of the American Chemical Society

without addl components 27
Without addl. components: 27

May include some oligomers and radio-labeled compounds

SciFinder is a registered trademark of the American Chemical Society

search by substructure i ethylene alpha olefin polymers
Search by substructure IEthylene-alpha-olefin polymers

1-Butene and higher olefins

SciFinder is a registered trademark of the American Chemical Society

searching by substructure ii ethylene alpha olefin polymers lldpe
Searching by substructure IIEthylene-alpha-olefin polymers (LLDPE)

Selected the option for no additional components

SciFinder is a registered trademark of the American Chemical Society

searching by substructure iii ethylene alpha olefin polymers results
Searching by substructure IIIEthylene-alpha-olefin polymers - Results

SciFinder is a registered trademark of the American Chemical Society

get references preparation save for later combine
Get references: preparation….Save for later combine

SciFinder is a registered trademark of the American Chemical Society

get references preparation save for later combine34
Get references: preparation Save for later combine

SciFinder is a registered trademark of the American Chemical Society

polymers described generically
Polymers described generically
  • Ethylene--olefin polymers can be described without specifying which -olefin is used
  • These materials are often referred to as linear low density polyethylene or LLDPE
  • Our search strategy by substructure would not pick up these generic polymers
  • Search by Research Topic for the generic polymers and combine the results
  • Complete the search by refining and analyzing the combined answer

SciFinder is a registered trademark of the American Chemical Society

topic search lldpe
Topic Search LLDPE

Synonyms can be added in brackets

SciFinder is a registered trademark of the American Chemical Society

save both results structure and text
Save both results: Structure and Text

SciFinder is a registered trademark of the American Chemical Society

combine the results
Combine the results

9177 Answers are the combined result!

SciFinder is a registered trademark of the American Chemical Society

agenda39
Agenda
  • Polymer registrations in SciFinder
  • Polymer Registry display
  • Searching polymers
  • Refine and categorize

SciFinder is a registered trademark of the American Chemical Society

complete the result by categorize and refine to get to know more about their use in plastic films
Complete the result by categorize and refine to get to know more about their use in Plastic Films

SciFinder is a registered trademark of the American Chemical Society

complete the result by categorize and refine to get to know more about their use in plastic films41
Complete the result by categorize and refine to get to know more about their use in Plastic Films

SciFinder is a registered trademark of the American Chemical Society

conclusions polymer searching
Conclusions polymer searching
  • Searching for Polymers is possible in SciFinder!
  • Searching for polymers present some challenges related to polymer definitions and CAS registration policies
  • Be informed for better searching
  • If there are questions please ask for help help@cas.org

SciFinder is a registered trademark of the American Chemical Society

agenda43
Agenda
  • Polymer registrations in SciFinder
  • Polymer Registry display
  • Searching polymers
  • Refine and categorize

SciFinder is a registered trademark of the American Chemical Society

polymer searching

Polymer searching

Questions?

Comments?