Searching surfactants and detergents on STN

Searching surfactants and detergents on STN
FIZ Karlsruhe
Agenda
• Surfactant subject indexing CAplusSM
• Surfactant substance indexing in REGISTRY
• Extending searches to include DWPISM
2
Surfactants in CAplus and REGISTRY
1.
2.
3.
4.
5.
6.
General Indexing Policies
Classification Code
Controlled Terms and Linking Terms
General Substance Indexing Policies
Surfactant Classification
Examples:
–
–
–
–
Anionic Surfactants
Cationic Surfactants
Nonionic Surfactants
Amphoteric Surfactants
7. Summary
3
1. General Indexing Policies
The various aspects of surfactants that are
covered by CAS
• Preparation of surfactants
• Chemistry of surfactants and surfactant
compositions
• Physical chemistry of surfactants
• Formulations with surfactants (e.g.
detergent formulations)
• Uses of surfactants
4
1. General Indexing Policies
Surfactants are indexed when they are:
•
•
•
•
•
the novelty of a patent
the focus of a research paper
reported in the literature with new data
prepared and characterized
prophetic substances in the example part of a
patent
• of interest for a particular application
5
1. General Indexing Policies
• Surfactants are not indexed when they are:
– incidental to the main study (e.g. as an emulsifier in
emulsion polymerization with no emphasis on the
emulsifier)
– common constituents in detergent formulations are
not indexed when the interest is in the overall
composition or in other constituents
6
1. General Indexing Policies
• Detergent formulations are indexed:
– with their ingredients (RNs) and an appropriate text
modification, e.g. “cleaning composition”
– with the RN of the mixture when the constituents are
deliberately admixed and remain discrete in the
medium
7
2. Classification Code (/CC)
Section Code 46 (since 1967)
There are several old sections for this topic.
Remember: Some CA section titles and numbers
have changed over time.
Use the CA Section thesaurus in the /cc field to
find the history of that section.
8
3. Controlled Terms and Linking Terms
Controlled Term Hierarchy
Surfactants
Wetting
Agents
Emulsifying
Agents
Dispersing
Agents
Detergents
Soaps
Foaming
Agents
Cleaning
Compositions
Perfumed
Soap
Lathering
Agents
9
4. General Substance Indexing Policies
The indexing of individual surfactants depends on how
they can be handled for registration. They are indexed:
¾At their own Registry Number when fully defined.
¾At the Registry Number for only a portion of the
molecule when part of it (usually alkyl or aryl portion)
is unspecified, specified in terms of a C range, or
unstructurable.
¾Without any Registry Number when no portion of the
molecule is sufficiently defined for registration.
10
4. General Substance Indexing Policies
Trade names for surfactants may be:
¾ Registered as trade names (without a structure)
¾ Cross-referred to a chemical name and registered
(with a structure)
¾ Cross-referred to a controlled-term substance heading
(e.g. Alcohols) with structural information provided in
the text modification
¾ Cross-referred to a controlled-term use heading such
as detergents.
11
5. Surfactant Classification
Anionic
primary alkyl
sulfates,
alkanesulfonates,
phosphate esters,
soaps, etc.
Cationic
Quaternary
ammonium salts
Amphoteric
Betaines,
Imidazolium
compounds,
Onium compounds
Nonionic
Polyalkylene glycol
ethers and esters
12
6. Examples - Anionic Surfactants
Example: Alkylarenesulfonates
Fully defined and fully structurable alkylarenesulfonates are
indexed at their CAS Registry Number. Variations in
linearity, position of ring substitution, and salt specification
will, however, result in different Registry Numbers for the
same basic substance. Indexing will reflect how the
substance is described by the author.
13
6. Examples - Anionic Surfactants
Example: Alkylarenesulfonates
Docecylbenzenesulfonate – linear alkyl assumed
RN 27176-87-0 REGISTRY
IN Benzenesulfonic acid, dodecylRN 25155-30-0 REGISTRY
IN Benzenesulfonic acid, dodecyl-, sodium salt
RN 2211-98-5 REGISTRY
IN Benzenesulfonic acid, 4-dodecyl-, sodium salt
Search Tip: For comprehensiveness, the RN of all relevant variants
of registration should be included in a search. Also, the RN of the
unsubstituted Benzenesulfonic acid should be searched with
appended “D” and linked to “alkyl”.
14
6. Examples - Anionic Surfactants
Example: Alkylarenesulfonates
Partial Registration
Partially defined or partially structurable
alkylarenesulfonates can be searched using the
Registry Number for only a portion of the
molecule. The unstructurable or undefined portion
must be searched as derivative information in the
text modification at the Registry Number.
15
6. Examples - Anionic Surfactants
Example: Alkylarenesulfonates
Partial Registration
Na alkylbenzenesulfonate
Preferred indexing with: Benzenesulfonic acid [98-11-3]
(The salt is not included in the RN)
Typical CA File index entry:
98-11-3D, Benzenesulfonic acid, alkyl derivs., sodium salt
16
6. Examples - Anionic Surfactants
Example: Fatty Alcohol Sulfates
Full Registration
Fully defined and fully structurable fatty alcohol sulfates are
indexed at their CAS Registry Number.
No Registration
Partially defined or partially structurable alkyl sulfates
generally have no portion of the molecule indexed using a
Registry Number. The entire molecule must be searched as
text terms in CAplus.
17
6. Examples - Anionic Surfactants
Anionic Surfactants - Full Registration
Find studies for the toxicity of Sodium laurylsulfonate
=> FIL REG
=> E SODIUM LAURYLSULFONATE/CN
E1
E2
E3
E4
E5
1
SODIUM LAURYLSARCOSINE/CN
1
SODIUM LAURYLSULFONAMIDOACETATE/CN
1 --> SODIUM LAURYLSULFONATE/CN
1
SODIUM LAURYLTRIOXYETHYLENE SULFATE/CN
1
SODIUM LAVRATE/CN
=> S E3
L1
1 "SODIUM LAURYLSULFONATE"/CN
Slide continous on the next page
18
L1
ANSWER 1 OF 1 REGISTRY COPYRIGHT 2011 ACS on STN
RN
2386-53-0 REGISTRY
ED
Entered STN: 16 Nov 1984
CN
1-Dodecanesulfonic acid, sodium salt (1:1) (CA INDEX NAME)
OTHER CA INDEX NAMES:
CN
1-Dodecanesulfonic acid, sodium salt (8CI, 9CI)
CN
Dodecanesulfonic acid, sodium salt (7CI)
OTHER NAMES:
CN
Acme SLS
O o o
CN
Sodium laurylsulfonate
CN
Sodium n-dodecylsulfonate
CN
Stepanol PCK
DR
12640-85-6, 163883-58-7, 139874-16-1
MF
C12 H26 O3 S . Na
CI
COM
LC
STN Files:
AGRICOLA, ANABSTR o o o
CRN (1510-16-3)
**PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT**
3892 REFERENCES IN FILE CA (1907 TO DATE)
37 REFERENCES TO NON-SPECIFIC DERIVATIVES IN FILE CA
3953 REFERENCES IN FILE CAPLUS (1907 TO DATE)
19
6. Examples - Anionic Surfactants
For comprehensiveness, Registry Number for laurylsulfonate should also
be included:
=> E LAURYLSULFONATE/CN
E13
E14
E15
E16
E17
1
LAURYLSULFATE GLYCINE SALT/CN
1
LAURYLSULFOBETAINE/CN
1 --> LAURYLSULFONATE/CN
1
LAURYLSULFONIC ACID/CN
1
LAURYLSULFONIC ACID SODIUM SALT/CN
=> S E15
L2
1 LAURYLSULFONATE/CN
Slide continous on the next page
20
L2
ANSWER 1 OF 1 REGISTRY COPYRIGHT 2011 ACS on STN
RN
38480-64-7 REGISTRY
ED
Entered STN: 16 Nov 1984
CN
1-Dodecanesulfonic acid, ion(1-) (CA INDEX NAME)
OTHER NAMES:
CN
Dodecylsulfonate
CN
Dodecylsulfonate(1-)
CN
Laurylsulfonate
MF
C12 H25 O3 S
CI
COM
LC
STN Files:
ANABSTR, BIOSIS, BIOTECHNO o o o
**PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT**
139 REFERENCES IN FILE CA (1907 TO DATE)
23 REFERENCES TO NON-SPECIFIC DERIVATIVES IN FILE CA
139 REFERENCES IN FILE CAPLUS (1907 TO DATE)
21
5. Examples - Anionic Surfactants
=> FIL CAP
=> S L1/ADV
L3
3953 L1
947951 ADV/RL
17 L1/ADV
(L1 (L) ADV/RL)
=> S L2/ADV
L4
139 L2
947951 ADV/RL
1 L2/ADV
(L2 (L) ADV/RL)
22
6. Examples - Anionic Surfactants
Anionic Surfactants - No Registration
Find studies on tallow-alkyl sulfate surfactants
=> FIL CAP
=> S TALLOW (L) ALKYL (W) SULFATE? (L) (SURFACTANT?
OR
DETERGENT? OR EMULSIF?)
L1
148 TALLOW (L) ALKYL (W) SULFATE? (L)
(SURFACTANT? OR DETERGENT? OR
EMULSIF?)
Some references may also be found using the RN for sulfuric acid
=> S 7664-93-9d (L) TALLOW (L) ALKYL
L5
16 7664-93-9D (L) TALLOW (L) ALKYL
=> S L5 NOT L1
L8
9 L5 NOT L1
23
6. Examples - Cationic Surfactants
Example: Quaternary Ammonium Compounds
Full Registration
Fully defined and fully structurable quaternary ammonium
compounds are indexed at their CAS Registry Number.
No Registration
Partially defined or partially structurable quaternary
ammonium compounds generally have no portion of the
molecule indexed using a Registry Number. The entire
molecule must be searched as text terms in CAplus.
24
6. Examples - Cationic Surfactants
Cationic Surfactants - Full Registration
Cetyltrimethylammonium chloride
=> FIL REG
=> E CETYLTRIMETHYLAMMONIUM CHLORIDE/CN
E1
E2
E3
E4
E5
1
CETYLTRIMETHYLAMMONIUM CATION/CN
1
CETYLTRIMETHYLAMMONIUM CHLORATE/CN
1 --> CETYLTRIMETHYLAMMONIUM CHLORIDE/CN
1
CETYLTRIMETHYLAMMONIUM CHLORIDE COMPD.
WITH P-PHENYLPHENOL (1:1)/CN
1
CETYLTRIMETHYLAMMONIUM CHLORIDE
HEMIHYDRATE/CN
=> S E3
L1
1 "CETYLTRIMETHYLAMMONIUM CHLORIDE"/CN
Slide continous on the next page
25
L1
RN
ED
CN
ANSWER 1 OF 1 REGISTRY COPYRIGHT 2011 ACS on STN
112-02-7 REGISTRY
Entered STN: 16 Nov 1984
1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1)
(CA INDEX NAME)
OTHER CA INDEX NAMES:
CN
1-Hexadecanaminium, N,N,N-trimethyl-, chloride (9CI)
CN
Ammonium, hexadecyltrimethyl-, chloride (8CI)
CN
Hexadecyltrimethylammonium chloride (6CI)
OTHER NAMES:
CN
1631CL
CN
Adogen 444
CN
Adogen 444-29
O O O
CN
Cetyltrimethylammonium chloride
26
6. Examples - Cationic Surfactants
Cationic Surfactants - No Registration
Use controlled term “Quaternary ammonium compounds”
linked with nomenclature term.
Example: Coco alkyl quaternary ammonium compounds
=> E QUATERNARY AMMONIUM COMPOUNDS/CT
E#
-E1
E2
FREQUENCY
--------100
0
E3
51669
AT
-2
2
TERM
---QUATERNARY AMMONIUM COMPDS./CT
QUATERNARY AMMONIUM COMPDS. (L)
BENZYLDIMETHYLTALLOW ALKYL,
CHLORIDES/CT
96 --> QUATERNARY AMMONIUM COMPOUNDS/CT
There are several linking terms
27
=> E E3+LT
E109
E110
E111
E112
E115
E116
E144
E155
51669
--> Quaternary ammonium compounds/CT
LT
Quaternary ammonium compounds (L)
(2-((2-((2-carboxyethyl)(2-hydroxyethyl)amino)ethyl)ami
no)-2-oxoethyl)coco alkyldimethyl, inner salts/CT
LT
Quaternary ammonium compounds (L)
(2-ethylhexyl)(hydrogenated coco alkyl)dimethyl,
chlorides/CT
LT
Quaternary ammonium compounds (L)
(2-ethylhexyl)(hydrogenated rape-oil alkyl)dimethyl,
chlorides/CT
LT
Quaternary ammonium compounds (L)
(2-ethylhexyl)dimethyltallow alkyl, chlorides/CT
LT
Quaternary ammonium compounds (L)
(2-hydroxy-C12-14-alkyl)trimethyl, chlorides/CT
LT
Quaternary ammonium compounds (L) C17-20-alkyl/CT
LT
Quaternary ammonium compounds (L) alkyl/CT
=> S QUATERNARY AMMONIUM COMPOUNDS/CT (L) COCO AND (SURFACTANT? OR
DETERGENT? OR EMULSIF?)
L3
365 QUATERNARY AMMONIUM COMPOUNDS/CT (L) COCO AND (SURFACTANT? OR
DETERGENT? OR EMULSIF?)
28
Answers in CAplus
All in one index field:
IT
Quaternary ammonium compounds
RL: AGR (Agricultural use); BIOL (Biological study); USES
(Uses)
(coco alkyltrimethyl, chlorides, Arquad C 50,
surfactant; herbicide compns. containing specific
sulfonium urea compound and adjuvants for weed control)
Different index fields
IT
IT
Quaternary ammonium compounds
RL: THU (Therapeutic use); BIOL (Biological study); USES (Uses)
(alkylbenzyldimethyl, chlorides, coco-; biocidal solution
comprising chlorhexidine salt, alkyl dimethylbenzyl ammonium halide,
dialkyl dimethylammonium halide, and acid)
Surfactants
(amphoteric; biocidal solution comprising chlorhexidine salt, alkyl
dimethylbenzyl ammonium halide, dialkyl dimethylammonium halide, and
acid)
29
6. Examples - Nonionic Surfactants
Example: Ethoxylated Fatty Alcohols
Full Registration
Fully defined and fully structurable polyethylene glycol
ethers with fatty alcohols are indexed at their CAS Registry
Number.
Partial Registration
Partially defined or partially structurable polyethylene glycol
ethers with fatty alcohols can be searched as derivative
information at Registry Number for only the polyethylene
glycol portion. The undefined or unstructurable portion
(fatty alcohol) entire molecule must be searched as text
30
terms in CAplus.
6. Examples - Nonionic Surfactants
Nonionic Surfactants - Full Registration
Polyethylene glycol monodecyl ether
RN
ED
CN
9002-92-0 REGISTRY
Entered STN: 16 Nov 1984
Poly(oxy-1,2-ethanediyl), .alpha.-dodecyl-.omega.hydroxy- (CA INDEX NAME)
Post treated polymers, like esters or salts will be indexed in Registry
31
6. Examples - Nonionic Surfactants
Nonionic Surfactants - Full Registration
Two index entries are made:
1. Polyethylene glycol [25322-68-3] linked with text term
“alkyl ethers”
2. Alcohols (Controlled term) linked with “ethoxylated”
As not always both entries are made in one record, search with both
queries. Refine with the number of the Alkyl-Carbon atoms
=> s (POLYETHYLENE GLYCOL (L) C11-15(W)ALKYL
ETHERS) OR (ALCOHOLS/CT (L) C11-15(W)ETHOXYLATED)
L16
62 (POLYETHYLENE GLYCOL (L) C11-15 (W)ALKYL
ETHERS) OR (ALCOHOLS/CT (L) C11-15 (W)
ETHOXYLATED)
32
L10
AN
DN
TI
AU
CS
SO
IT
IT
IT
ANSWER CAPLUS COPYRIGHT 2011 ACS on STN
2003:590042 CAPLUS
140:129966
Fundamental insight into the mechanism of oxygen delignification
Chen, Sheng-Li; Lucia, Lucian A.
Institute of Paper Science and Technology..
Cellulose Chemistry and Technology . . .
Alcohols, uses
RL: TEM (Technical or engineered material use); USES (Uses)
(C11-15, ethoxylated, surfactant;
application of polyethylene glycol ether surfactants in
oxygen bleaching of kraft pulps)
Polyoxyalkylenes, uses
RL: TEM (Technical or engineered material use); USES (Uses)
(C11-15-alkyl ethers,
surfactant; application of polyethylene glycol
ether surfactants in oxygen bleaching of kraft pulps)
25322-68-3D, Polyethylene glycol, C1115-alkyl ethers
60828-78-6
RL: TEM (Technical or engineered material use); USES (Uses)
(surfactant; application of polyethylene glycol
ether surfactants in oxygen bleaching of kraft pulps)
33
6. Examples - Amphoteric Surfactants
Example - Betaines
Full Registration
Fully defined and fully structurable betaines are indexed at
their CAS Registry Number.
No Registration
Partially defined or partially structurable betaines are
indexed at controlled terms: “Betaines” or “Onium
compounds”, or on the compound class heading.
34
6. Examples - Amphoteric Surfactants
Betaines – No Registration
Imidazolium surfactants
=> FIL CAP
=> E BETAINES+ALL
E13
E14
E15
14007
56497
8494
E16
5697
E17
E18
E19
E20
E21
E22
E23
E24
E25
E26
BT3 Chemical compounds/CT
BT2 Organic compounds/CT
BT1 Onium compounds/CT
-->
0
0
0
0
0
0
835
0
********** END **********
Betaines/CT
HNTE Valid heading during volume 1 (1907) to present.
UF
Trialkyl(carboxyalkyl) betaines/CT
UF
Trialkyl(carboxyalkyl)ammonium inner salts/CT
NT1 Acetyl-L-carnitine/CT
NT1 Carnitine/CT
NT1 Cocoamidopropyl betaine/CT
NT2 Lauramidopropylbetaine/CT
NT1 Glycine betaine/CT
NT1 Lauryldimethylaminoacetic acid betaine/CT
NT1 Sulfobetaines/CT
NT2 3-((3-Cholamidopropyl)dimethylammonio)-1-propan
esulfonate/CT
35
Slide continous on the next page
=> E IMIDAZOLIUM COMPOUNDS/CT
E#
-E27
E28
E29
FREQUENCY
--------0
0
535
AT
-2
2
2 -->
TERM
---IMIDAZOLIUM COMPOUND RECEPTORS (L) I1/CT
IMIDAZOLIUM COMPOUND RECEPTORS (L) I2/CT
IMIDAZOLIUM COMPOUNDS/CT
=> E E29+ALL
E39
E40
535
--> Imidazolium compounds/CT
HNTE Valid heading during volumes 31-125 (1937-1996) only.
NEW
Onium compounds (L) imidazolium compds./CT
********** END **********
The Linked term is in the text
modification
IT
Onium compounds
RL: MOA (Modifier or additive use); USES (Uses)
(imidazolium compds.; water permeability modifiers
for fibers for nonwoven fabrics)
Slide continous on the next page
36
=> S E16,E39,E40
L1
7772 (BETAINES/CT OR "IMIDAZOLIUM COMPOUNDS"/CT OR "ONIUM
COMPOUNDS (L) IMIDAZOLIUM COMPDS."/CT)
(Set plurals on)
=> S L1 AND (SURFACTANT OR DETERGENT)
L2
3581 L1 AND (SURFACTANT OR DETERGENT)
Done: 07/2011
L3
3203 L2 AND BETAINES/CT
L4
211 L2 AND "ONIUM COMPOUNDS (L) IMIDAZOLIUM
COMPDS."/CT
L5
279 L2 AND "IMIDAZOLIUM COMPOUNDS"/CT
37
7. Summary
• Use the CA thesaurus to find out the right
terminology. The analysts have to index as precise
as possible
• Use linking terms together with the controlled term to
specify your surfactant
• Search for the Registry Number when the substance
is fully defined
• Use the CAS RN for structurable portion of
incompletely described compounds.
• Use controlled terms for incompletely described
compounds, like betaines, alcohols, fatty acids
• Search in MARPAT for generic substances
38
DWPI Chemistry Resource (DCR)
• DCR is a chemical structure database covering
specific chemical structures indexed in DWPI
bibliographic patent records
• An integral part of DWPI on STN since 1999
• Available to all users of DWPI
DCR
20,000,000+
patent records
1,800,000+
substance
records
39
DCR coverage
• Specific chemical compounds indexed by
Thomson Reuters from basic patents in DWPI
• DWPI patents classified in Pharmaceutical (B),
agrochemical (C) and/or general chemical (E)
• Comprehensive coverage began in 4/1999
• Selective coverage for approximately
– 20,000 substances from 1/1987 to date
– 2,100 substances from 7/1981 to date
40
CAS and DWPI search example
Search Question:
Find patents describing the use of sodium alkyl
benzene sulfonate(s) of formula (I), as
surfactants, detergents, or emulsifiers:
(I)
Ak= Alkyl
No further substitution is allowed.
41
CAS and DWPI search example
Note: The phenyl ring
is set to “Isolated”.
42
Upload and search the query in REGISTRY
The structure query (previous slide)
is uploaded via STN Express (L1).
=> FILE REGISTRY
=>
Uploading C:\ . . . . \Queries\alkyl benzene sulfonic acid 4.str
L1
STRUCTURE UPLOADED
=> S L1 CSS SAM
=> D SCAN
It’s a good idea to conduct a free-of-charge
preview sample search, and review answers
using the free-of-charge format SCAN.
A closed substructure search (CSS) is
FULL SEARCH INITIATED 16:34:24 FILE
used'REGISTRY'
to limit further substitution (L2).
=> S L1 CSS FUL
. . . .
L2
32728 L1 CSS FUL
=> S L2 AND NA/ELS NOT PMS/CI
L3
Limit to sodium salts and
non-polymeric answers (L3).
290 S L2 AND NA/ELS NOT PMS/CI
43
Review the answers retrieved using D SCAN
=> D SCAN L3
L3
IN
MF
290 ANSWERS
REGISTRY COPYRIGHT 2011 ACS on STN
Benzenesulfonic acid, 2-tridecyl-, sodium salt (1:1)
C19 H32 O3 S . Na
The search retrieves a
precisely defined group
of compounds (L3).
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1): 3
L3
290 ANSWERS
REGISTRY COPYRIGHT 2011 ACS on STN
IN
Benzenesulfonic acid, 3-propyl-, sodium salt (1:1)
MF
C9 H12 O3 S . Na
. . . .
44
Search for incompletely defined structures (IDS)
=> S BENZENESULFONIC ACID (P) SODIUM (P) SALT
L4
17804 S BENZENESULFONIC ACID (P) SODIUM (P) SALT
=> S L4 AND C H O S/ELF AND 3/O AND 1/S AND 2/NC AND
NA/ELS AND IDS/CI NOT PMS/CI
L5
251 S L4 AND C H O S/ELF AND 3/O AND 1/S AND 2/NC AND
NA/ELS AND IDS/CI NOT PMS/CI
=> S L3 OR L5
L6
539 S L3 OR L5
Incompletely defined (IDS/CI) sodium alky
benzene sulfonates may be included for a
more comprehensive search (L6).
45
Review the answers retrieved using D SCAN
=> D SCAN L6
L6
IN
MF
CI
539 ANSWERS
REGISTRY COPYRIGHT 2011 ACS on STN
Benzenesulfonic acid, (1-methylpentadecyl)-, sodium salt
(7CI, 9CI)
C22 H38 O3 S . Na
IDS
The search now includes some
important, but incompletely
defined structures (IDS) (L6).
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):2
. . . .
46
Retrieve the corresponding CAplus records
=> FILE HCAPLUS
=> S L6
L7
The 539 substance records (L6)
correspond to 19,493 bibliographic
records in HCAplus (L7).
19493 S L6
=> S 98-11-3D (L) ALKYL(W)DERIV? (L) SODIUM(W)SALT?
L8
2481 S 98-11-3D (L) ALKYL(W)DERIV? (L) SODIUM(W)SALT?
=> S L7 OR L8
L9
21701 S L7 OR L8
Add relevant non-specific derivatives of
benzene sulfonic acid (RN 98-11-3) (L9).
=> S L9 (L) (SURFACTANT? OR DETERGENT? OR EMULSIF? OR
CLEAN? OR SOAP?)
L10
8008 S L9(L)(SURFACTANT? OR DETERGENT? OR EMULSIF? OR
CLEAN? OR SOAP?)
=> S L10 AND P/DT
L11
5141 S L10 AND P/DT
Limit the HCAplus search to surfactant
and detergent uses and patents (L11).
47
Example: CAplus answer retrieved
=> D L11 BIB HITIND 3
L11
AN
DN
TI
ANSWER 3 OF 5141 HCAPLUS COPYRIGHT 2011 ACS on STN
2011:936722 HCAPLUS Full-text
155:183088
Polycarbonate resin compositions containing impact modifiers formed
from size-controlled latex particles and their moldings
IN
Imada, Akira
PA
Fuji Xerox Co., Ltd., Japan
HITIND display format,
SO
Jpn. Kokai Tokkyo Koho, 26pp.
CODEN: JKXXAF
shows only the indexing
DT
Patent
with the hit search terms.
LA
Japanese
FAN.CNT 1
PATENT NO.
KIND
DATE
APPLICATION NO.
DATE
--------------------------------------------------PI
JP 2011144247
A
20110728
JP 2010-5292
20100113
PRAI JP 2010-5292
20100113
IPCI C08L0069-00 [I,A]; C08L0055-02 [I,A]; C08L0051-00 [I,A]; . . . .
CC
37-6 (Plastics Manufacture and Processing)
Section cross-reference(s): 38
IT
25155-30-0, Sodium dodecylbenzenesulfonate
26353-67-3,
Formaldehyde-β-naphthalenesulfonic acid copolymer
RL: NUU (Other use, unclassified); USES (Uses)
(emulsifiers; polycarbonate resin compns. containing impact
modifiers formed from size-controlled latex particles and providing
impact-resistant moldings)
48
Repeat the structure search in DCR
=> FILE WPIX
Access the Derwent World
Patents Index (DWPI) (files
WPINDEX, WPIDS or WPIX).
=> S L1 CSS FUL
FULL SEARCH INITIATED 16:44:44 FILE 'WPIX'
. . . .
L12
1855 L1 CSS FUL
Repeat the structure
search (L12) using
the same query (L1).
=> S L12 AND NA/ELS
L13
43 L12 AND NA/ELS
Limit to sodium salts (L13).
49
Review the answers retrieved using D SCAN
=> D SCAN L13
L13
CN.P
CN.S
MF
43 ANSWERS WPIX
COPYRIGHT 2011 THOMSON REUTERS on STN
SODIUM CUMENE SULFONATE
sodium cumene sulfonate
Na . C9 H12 O3 S
CM
1
Na
CM
The search retrieves a
precisely defined group
of compounds (L13).
2
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):2
. . . .
50
Retrieve the corresponding DWPI records
=> S L13/DCR
L14
4488 S L13/DCR
The 43 substance records (L13)
correspond to 4,448 bibliographic
records in DWPI (L14).
=> S L14(P)(Q601 OR Q602 OR Q603 OR Q608 OR Q336 OR Q272
OR Q273 OR Q616)/M0,M2,M3
L15
684 S L14(P)(Q601 OR Q602 OR Q603 OR Q608 OR Q336 OR
Q272 OR Q273 OR Q616)/M0,M2,M3
Limit the DWPI search to surfactant
and detergent uses (below) (L15).
Q616 = Surfactant.
Q272 = Non-soap detergent.
Q273 = Soap compositions.
Q336 = Cleaning compositions.
Q601 = Anticaking.
Q602 = Antifoam.
Q603 = Antistatic.
Q608 = Foaming agent; Foam stabilizer.
51
Retrieve the unique DWPI records
=> TRANSFER L11 1- PNK
L16
L17
TRA L11 1- PNK
4768 SEA L16/PNK
:
Transfer PNK from CAplus (L11)
toxxxx
retrieve
the corresponding
TERMS
records in DWPI (L17).
=> S L15 NOT L17
L18
449 S L15 NOT L17
Retrieve the unique
DWPI records (L18).
52
Example: unique DWPI answer retrieved
=> D L18 BIB HITCMC FRAGHITSTR 2
L18
AN
TI
ANSWER 2 OF 449 WPIX COPYRIGHT 2011
THOMSON REUTERS on STN
2011-H44227 [201145]
WPIX Full-text
Servicing wellbore involves placing composition comprising surfactant,
brine, and oleaginous fluid in annular space of wellbore, where
composition forms microemulsion under low shear conditions
DC
E19; H01
IN
HARRISON D J; VAN ZANTEN R
HITCMCCURTIS
displayP format,
PA
(HALL-C) HALLIBURTON ENERGY SERVICES INC; (CURT-I)
A
CYC 113
shows only the indexing
PIA US 20110160103 A1 20110630 (201145)* EN 11[4]
with the hit search terms.
WO 2011080506
A1 20110707 (201145) EN
ADT US 20110160103 A1 US 2009-649819 20091230; WO 2011080506 A1
WO 2010- GB2342 20101229
PRAI US 2009-649819
20091230
CMC UPB
20110718
M3 *19*
A111 A960 C710 G011 G100 K0 K4 K431 K432 M225 M231 M240 M281
M320 M411 M510 M520 M531 M540 M782 Q412 Q616 R023 M905 M904
DCN: RACZ8F-K RACZ8F-M RAVIYP-K RAVIYP-M
DCR: 840197-K 840197-M
M3 *20*
A111 A960 C710 G012 G100 K0 K4 K431 K432 M225 M231 M240 M281
M320 M411 M510 M520 M531 M540 M630 M782 Q412 Q616 R023 M905
M904
DCN: RAXA2T-K RAXA2T-M
Q616 = Surfactant.
DCR: 1814674-K 1814674-M
M3 *21*
A111 A960 C710 G013 G100 K0 K4 K431 M225 M231 M240 . . . .
53
Example: unique DWPI answer retrieved (cont.)
AN.S DCR-840197
CN.S Sodium; 2-dodecyl-benzenesulfonate
SDCN RACZ8F; RAVIYP
CM
1
Na
CM
The fragmentation code hit
structure (FRAGHITSTR)
display shows the hit DCR
structure from the HITCMC
paragraphs (previous slide).
2
AN.S DCR-1814674
SDCN RAXA2T
CM
1
Na
CM
2
. . . .
54
DWPI Classifications (/DC) and Manual Codes
(/MC) for detergents and surfactants
• D24 /DC – Soap
– Metal salts of fatty acids used for cleaning
• D25 /DC – Detergents
– Other than soap (D24) and used for cleaning
• D11+NT /MC
– Detergents, soaps, glycerol
• D08-B13 /MC
– Surfactants in cosmetics
• A08-S+NT /MC
– Surfactant additives in polymer science
• B12-M09 /MC
– Surfactants in pharmaceutical formulations
55
Summary
• Surfactant subject indexing CAplus
• Surfactant substance indexing in REGISTRY
• Extending searches to include DWPI
56
Acknowledgement
The CAS database related
slides were prepared by:
Dr Hanka Haber
FIZ Karlsruhe
hanka.haber@fiz-karlsruhe.de
57
DWPI resources
• DWPI on STN User Documentation
http://www.stn-international.com/stn_dwpi.html
– DWPI on STN Reference Manual
– DWPI on STN Workshop Manual
– DWPI Classification (DC) guide
– Summary table of member level data coverage
– Global Patent Sources – DWPI coverage in detail
– Chemistry, Engineering and Polymer User Guides
• DWPI on STN database summary sheet
http://www.stn-international.com/wpindex.html
58
Recorded STN e-Seminars are available to
watch at your own pace….
• FIZ Karlsruhe recorded e-Seminars:
http://www.stn-international.com/recorded_events.html
– Introduction to Derwent World Patents Index (DWPI)
– Searching DWPI Chemistry Resource (DCR)
• CAS recorded e-Seminars:
http://www.cas.org/support/stngen/stntraining/recorded.html
– Revisiting the basics of structure searching
– STN: Advanced Structure Searching
– Structure drawing in STN
59
For more information …
CAS
E-mail: help@cas.org
Support and Training:
www.cas.org
FIZ Karlsruhe
helpdesk@fiz-karlsruhe.de
Support and Training:
www.stn-international.de

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