STN UsersMeeting CNR Bologna 6 Dicembre 2006. Agenda 09.30 - 10.00 Registrazione 10.00 - 10.30...

STN Users’Meeting

CNR Bologna

6 Dicembre 2006

Agenda09.30 - 10.00 Registrazione 10.00 - 10.30 Novità in STN (CAS Files) 10.00 - 10.30 Novità in STN (CAS Files) Ms. H. Waldhoff Ms. H. Waldhoff CASCAS

10.30 – 11.00 Novità in STN (Altri STN Files) 10.30 – 11.00 Novità in STN (Altri STN Files) Dr. U. KlemmDr. U. Klemm STNSTN

11.00 - 11.30 Le proprietà chimico-fisiche in Registry Dr. G. Rucci STN/CAS

11.30 - 11.45 Coffee Break 11.45 - 12.30 La ricerca delle sostanze polimorfe in STN III° Dr. A. Tarquini Notarbartolo

12.30 - 14.00 Lunch 14.00 - 14.30 Registry-CAPlus-Marpat: un caso reale Dr. P. Gnemmi Moradei

14.30 - 15.15 Una ricerca brevettuale (Registy CAPlus Marpat) Dr. G. Rucci STN/CAS

15.15 - 15.30 Coffee Break 15.30 - 16.00 Seminari 2007, Commenti, Chiusura Dr. G. Rucci STN/CAS

What’s New on STNUrsula Klemm, FIZ Karlsruhe

Heidrun Waldhoff, CASSTN User Meeting Bologna

December 6, 2006

Agenda

• STN System enhancements and changes

• What’s new from FIZ Karlsruhe

• What’s new from CAS

LOGOFF HOLD enhanced

• Frequently requested enhancement• Now 120 minutes

CAS Registry crossover limits increased• New limit is 300,000• Applies to the following databases at present

– ADISCTI, ADISINSIGHT, ADISNEWS, AGRICOLA, AQUIRE, BIOSIS®, CABA, [L]CASREACT®, CHEMCATS, GENBANK, (H)CHEMLIST, IFIPAT/IFIUDB/IFICDB, EMBASE, IMSCOSEARCH, IMSPATENTS, IMSRESEARCH, IPA, JICST E-PLUS, MEDLINE®, MSDS-OHS, PAPERCHEM2, PHAR, PROMT, PROUSDDR, TOXCENTER, TULSA/TULSA2, SYNTHLINE, USPATFULL, USPAT2

• More to come!• Crossover charges remain the same. See HELP COST

in REGISTRY for details.

STN is keeping pace with IPC Reform

• Almost all patent files include IPC8 codes for all new patent publications from 2006 onwards

• Consistent implementation of IPC Reform features across the system

• Backfile reclassification data have been added to- INPADOC, CAPLUS, USPATFULL/USPAT2,

WPINDEX

• IPC 8 thesaurus implemented in numerous STN patent databases

• Planning underway to implement first IPC 8 thesaurus revisions (effective 2007)

E-mail messages alerting you to SDI results availability enhanced

Number of Answers in SDI run, SDI Run Number

and SDI Run Date are new elements

Full-text files now provide KWIC display at no charge

• KWIC-format is free when displaying basic index search results in:EPFULL, PCTFULL, FRFULL, GBFULL, PATDPAFULL, USPATFULL, USPAT2, RDISCLOSURE

• Use TRIAL KWIC for pre-selections– Titles (multiple languages)– Covered publication types– Available fields and images– Language information– KWIC provides a large amount of text information

STN Express®, Version 8.01c, now available

• 8.01c launched on November 10

– Post-processing enhanced to handles changes introduced with the Derwent World Patents Index reload

• Recent STN Express enhancements include:

– Increased security via SSL VPN

– Enhanced structure search results analysis in Variable Group Analysis Tool

– Access to Questel-Orbit’s Merged Markush Service

STN® AnaVist™, Version 1.1, enhances the ability to share visualization projects

• Share copies of visualization projects with others• Create project reports as either .rtf or .pdf documents• No charge for software or upgrades• Subset visualizations are now free• Article in World Patent Information recently published • Case study from MeadWestvaco

Agenda




Derwent World Patents Index® - Reloaded & Enhanced

• New first level content– original titles and abstracts– main claim– USPTO classes– full inventor names

• New value-add content– Documentation Abstract backfile– Derwent Chemistry Resource (DCR) backfile

• IPC Reform (IPC8 / IPC2006) compliance – including the enhanced STN IPC thesaurus

• Many technical improvements– simultaneous left and right truncation in more fields– no stop words– much faster date search

New DWPISM database record structure

• DWPI database records now have a new two part structure - invention and members

• The invention part comprises traditional DWPI content – patent family, enhanced abstract, etc

• The members part provides new additional data from each of the members (publications) listed in the invention (patent family) part of the record

• Invention and members parts are searchable and displayable separately or in combination

New DWPI database record structure

L1 ANSWER 1 OF 1 WPIX COPYRIGHT 2006 THE THOMSON CORP on STN

AN 2003-492242 [46] WPIX

CR 2003-851224

TI Optical fiber cable for use as transmission media has strength component

system comprising dielectric rods surrounded by frictional adhesion

coating which enables movement in response to compressive/flexural stress

DC A17; A28; A89; P81; V07

IN NORRIS R H; SMALL R D; THOMAS P M; WEIMANN P A

PA (FITE-N) FITEL USA CORP; (NORR-I) NORRIS R H; (SMAL-I) SMALL R D; (THOM-I)

THOMAS P M; (WEIM-I) WEIMANN P A

PI US 2003044139 A1 20030306 (200346)* 9 G02B006-44

EP 1403671 A1 20040331 (200424) EN G02B006-44

US 6778744 B2 20040817 (200454) G02B006-44

EP 1403671 B1 20050803 (200551) EN G02B006-44

ADT US 20030044139 A1 CIP of US 1999-415881 19991008

US 20030044139 A1 US 2002-255852 20020925

US 6778744 B2 CIP of US 1999-415881 19991008

US 6778744 B2 US 2002-255852 20020925

EP 1403671 A1 EP 2003-5730 20030313

EP 1403671 B1 EP 2003-5730 20030313

FDT US 6778744 B2 CIP of US 6611646 B

PRAI US 2002-255852 20020925

US 1999-415881 19991008

IC ICM G02B006-44

AB US 20030044139 A1

NOVELTY - An optical fiber cable (10) has plastic tube(s) (120), a jacket

(160), and a strength component system. The system has diametrically

opposed dielectric rods (300-1, 300-2) which extend parallel to

longitudinal axis, at least partially embedded in the jacket. Each rod is

surrounded by frictional adhesion coating which enables local movement

within the jacket in response to compressive/flexural stress.

DETAILED DESCRIPTION - An optical fiber cable (10) having a

longitudinal axis, comprises at least one plastic tube (120), a jacket

(160), and a strength component system. The plastic tube extends parallel

to the longitudinal axis and encloses several optical fibers (101). The

. . . .

MC CPI: A12-L03A

EPI: V07-F01B4

Members (publications)Invention (patent family)Member(0001)PI US 20030044139 A1 20030306 (200346)* EN 9[6] G02B006-44TIEN Dielectric optical fiber cable having reduced preferential bendingAG Michael A. Morra, Fitel USA Corp. Suite F020, 2000 Northeast Expressway, Norcross, GA, USIN NORRIS R H INO: Norris, Richard Hartford INA: Powder Springs, GA, US . . . .PA (NORR-I) NORRIS R H PAO: Norris, Richard Hartford PAA: Powder Springs, GA, US . . . .ADT US20030044139 A1 CIP of US1999-415881 19991008; US20030044139 A1 US2002-255852 20020925APTS US1999-000415881; US2002-000255852IC ICM G02B006-44IIC IICM G02B006-44INCL INCLM 385113

ABEN An optical cable (10) includes one or more tubes (120), each containing a number of optical fibers (101), and a plastic jacket (160) that encloses the tube(s). A pair of diametrically opposed rods (300-1, 300-2) are at least partially embedded in the polyethylene jacket and are made from continuous-filament glass fibers that are embedded in epoxy. Each rod has a compressive stiffness that is effective to inhibit substantial contraction of the cable, and a tensile stiffness that is effective to receive tensile loads without substantial transfer of such loads to the glass fibers. Each dielectric rod . . . .

CLMEN 1. An optical fiber cable having a longitudinal axis, the cable comprising: at least one plastic tube that extends parallel to the longitudinal axis and encloses a plurality of optical fibers; a jacket, which is made of a plastic material and which encloses the plastic tube; a strength member system comprising two diametrically opposed dielectric rods that extend parallel to the longitudinal axis and are at least partially embedded in the jacket, said rods having a compressive stiffness that is effective to inhibit substantial contraction of the cable and a tensile stiffness that is effective to receive a tensile load without substantial transfer of the tensile load to the optical fibers; wherein each rod is surrounded by a frictional adhesion coating that enables it to move locally within the jacket in response to compressive or flexural stress applied to the cable.

Member(0002)PI EP 1403671 A1 20040331 (200424) EN G02B006-44TIDE Dielektrisches faseroptisches Kabel mit reduzierter bevorzugter BiegerichtungTIEN Dielectric optical fiber cable having reduced preferential bendingTIFR Cable a fibers optiques avec une direction de flexion reduite privilegieeAG Schoppe, Fritz, Dipl.-Ing. Patentanwaelte Schoppe, Zimmermann, Stoeckeler & Zinkler, P.O. Box 246, 82043 Pullach bei Muenchen, DEIN NORRIS R H INO: Norris, Richard Hartford INA: 3362 Chatsworth Way, Powder Springs, GA 30127, US . . . .PA (FITE-N) FITEL USA CORP PAO: FITEL USA CORPORATION PAA: 2000 Northeast Expressway, Suite F020, Norcross, Georgia 30071, USADT EP1403671 A1 EP2003-005730 20030313APTS EP2003-000005730PRAI US2002-255852 20020925PRTS US2002-000255852IC ICM G02B006-44IIC IICM G02B006-44ABEN An optical cable (10) includes one or more tubes (120), each containing a number of optical fibers (101), and a plastic jacket (160) that encloses the tube(s). A pair of diametrically opposed rods (300-1, 300-2) are at least partially embedded in the polyethylene jacket and are made from continuous-filament glass fibers that are embedded in epoxy. Each rod has a compressive stiffness that is effective to inhibit substantial contraction of the cable, and a tensile stiffness that is effective to receive tensile loads without substantial transfer of such loads to the glass fibers. Each dielectric rod . . . .

CLMEN An optical fiber cable (10) having a longitudinal axis (105-105), the cable comprising: at least one plastic tube (120) that extends parallel to the longitudinal axis and encloses a plurality of optical fibers (101); a jacket (160), which is made of a plastic material and which encloses the plastic tube; a strength member system comprising two diametrically opposed dielectric rods (300-1, 300-2) that extend parallel to the longitudinal axis and are at least partially embedded in the jacket, said rods having a compressive stiffness that is effective to inhibit substantial contraction of the cable and a tensile stiffness that is effective to receive a tensile load without substantial transfer of the tensile load to the optical fibers; X2003X2003X2003wherein each rod is surrounded by a frictional adhesion coating (330) that enables it to move locally within the jacket in response to compressive or flexural stress applied to the cable.

Member(0003)PI US 6778744 B2 20040817 (200454) EN G02B006-44TIEN Dielectric optical fiber cable having reduced preferential bendingIN NORRIS R H INO: Norris, Richard Hartford INA: Powder Springs, GA, US . . . .PA (FITE-N) FITEL USA CORP PAO: Fitel USA Corp. PAA: Norcross, GA, USADT US6778744 B2 CIP of US1999-415881 19991008; US6778744 B2 US2002-255852 20020925APTS US1999-000415881; US2002-000255852FDT US6778744 B2 CIP of US6611646 BIC ICM G02B006-44IIC IICM G02B006-44INCL INCLM 385113 INCLS 385111; 385112ABEN An optical cable (10) includes one or more tubes (120), each containing a number of optical fibers (101), and a plastic jacket (160) that encloses the tube(s). A pair of diametrically opposed rods (300-1, 300-2) are at least partially embedded in the polyethylene jacket and are made from continuous-filament glass fibers that are embedded in epoxy. Each rod has a compressive stiffness that is effective to inhibit substantial contraction of the cable, and a tensile stiffness that is effective to receive tensile loads without substantial transfer of such loads to the glass fibers. Each dielectric rod includes . . . .

CLMEN What is claimed is: 1. An optical fiber cable having a longitudinal axis, the cable comprising: at least one plastic tube that extends parallel to the longitudinal axis and encloses a plurality of optical fibers; a jacket, which is made of a plastic material and which encloses the plastic tube; a strength member system comprising two diametrically opposed dielectric rods that extend parallel to the longitudinal axis and are at least partially embedded in the jacket, said rods having a compressive stiffness that is effective to inhibit substantial contraction of the cable and a tensile stiffness that is effective to receive a tensile load without substantial transfer of the tensile load to the optical fibers; wherein each rod is surrounded by a frictional adhesion coating that enables it to move locally within the jacket in response to compressive or flexural stress applied to the cable.

Member(0004)PI EP 1403671 B1 20050803 (200551) EN G02B006-44TIDE Dielektrisches faseroptisches Kabel mit reduzierter bevorzugter BiegerichtungTIEN Dielectric optical fiber cable having reduced preferential bendingTIFR Cable a fibres optiques ayant une direction de flexion reduite privilegieeAG Schoppe, Fritz, Dipl.-Ing. Patentanwaelte, Schoppe, Zimmermann, Stoeckeler & Zinkler, P.O. Box 246, 82043 Pullach bei Muenchen, DEIN NORRIS R H INO: Norris, Richard Hartford INA: 3362 Chatsworth Way, Powder Springs, GA 30127, US . . . .PA (FITE-N) FITEL USA CORP PAO: FITEL USA CORPORATION PAA: 2000 Northeast Expressway, Suite F020, Norcross, Georgia 30071, USADT EP1403671 B1 EP2003-005730 20030313APTS EP2003-000005730PRAI US2002-255852 20020925PRTS US2002-000255852IC ICM G02B006-44IIC IICM G02B006-44

CLMEN An optical fiber cable (10) having a longitudinal axis (105-105), the cable comprising: at least one plastic tube (120) that extends parallel to the longitudinal axis and encloses a plurality of optical fibers (101); a jacket (160), which is made of a plastic material and which encloses the plastic tube; a strength member system comprising two diametrically opposed dielectric rods (300-1, 300-2) that extend parallel to the longitudinal axis and are at least partially embedded in the jacket, said rods having a compressive stiffness that is effective to inhibit substantial contraction of the cable and a tensile stiffness that is effective to receive a tensile load without substantial transfer of the tensile load to the optical fibers; X2003X2003X2003wherein each rod is surrounded by a frictional adhesion coating (330) that enables it to move locally within the jacket in response to compressive or flexural stress applied to the cable characterized in that the frictional adhesion coating material (330) is selected from the group consisting of: (i) thermoplastic elastomers; (ii) thermally crosslinkable rubbers; and (iii) UV-curable crosslinkable rubbers.

New !

=> D BIB MEMBL1 ANSWER 1 OF 1 WPINDEX COPYRIGHT 2006 THE THOMSON CORP on STN AN 2005-657672 [67] WPIXMLTI New nucleic acid molecule comprising at least one junction nucleotide sequence of corn event MIR604, useful for producing a corn plant that is resistant to at least corn rootworm (en)DC C06; D16; P13IN CHEN E; MEGHIJI M; MEGHJI M; STEINER HPA (SYGN-C) SYNGENTA PARTICIPATIONS AGPI US 20050216970 A1 20050929 (200567)* EN 37[2] WO 2005103301 A2 20051103 (200572) ENADT US20050216970 A1 Provisional US2004-556260P 20040325; US20050216970 A1 US2005-059262 20050216; WO2005103301 A2 WO2005-US004790 20050216PRAI US2005-059262 20050216; US2004-556260P 20040325

Member(0001)PI US 20050216970 A1 20050929 (200567)* EN 37[2] C12Q-1/68 TIEN Corn event MIR604AG SYNGENTA BIOTECHNOLOGY, INC., PATENT DEPARTMENT 3054 CORNWALLIS ROAD, P.O. BOX 12257, RESEARCH TRIANGLE PARK, NC, USIN STEINER H INO: Steiner, Henry-Yorkd INA: Durham, NC, US.....PA (SYGN-C) SYNGENTA PARTICIPATIONS AG ..... INCL INCLM 800279 INCLS 800320.1; 4356ABEN A novel transgenic corn event designated MIR604, is disclosed. The invention relates to DNA sequences of the recombinant constructs inserted into the corn genome and ... CLMEN 1. An isolated nucleic acid molecule comprising at least one junction nucleotide sequence of corn event MIR604 selected ….

invention level

publication level

display format: MEMB

DWPI - Sample Record

New EPO Legal Status in EPFULL

• EPFULL is the European Patent Office (EPO) full-text patent database on STN

• EPFULL has been enhanced with all new EPO Patent Register Legal Status data, incl. history

• Data includes up-to-date detail unavailable in the INPADOC Legal Status (PRS) service

• Data is fully searchable - including details of "intention to grant", opposition, licence & reassignment

• Allows for precision Legal Status Alerts/SDIs!

EPO Legal Status including historyLEGAL STATUS INCLUDING HISTORY

AN 1996:66709 EPFULL 19980909 EPB241 Request for examination 1998061519980909 EPB430 Unexamined document without grant, (first publication) 1998090919980909 WOB870 PCT publication data 1997052219980909 EPB840 Designated contracting states AT BE CH DE DK ES FI FR GB GR IE IT LI LU MC NL PT SE EP 862831 A1 1998090919981021 EPB840R Designated contracting states (correction) BE DE ES FR GB IT19981202 EPB300R Priority data (correction) OLD: US 1995-662P P 19951113 NEW: US 1995-6629P P 1995111319991020 EPB565EP Drawing up and dispatch of supplementary search report (EPA4) 1999090220000112 EPB840R Designated contracting states (correction) AT BE CH DE DK ES FI FR GB GR IE IT LI LU MC NL PT SE20030102 EPB242 Dispatch of the first examination report 2002112020040616 EPB452EP Intention to grant 2003120920040616 EPB840R Designated contracting states (correction) BE DE ES FR GB IT20040616 EPB450 Document with grant, second publication 20040616 . . .

D BIB.M LSEP.M format (cont.).

Details in RED are not available in INPADOC.

Historical data, e.g. old priority numbers.

Use (P) proximity to combine terms within single Legal Status events, e.g. code (LSC) and date (LSD).

Monitor „Intention to Grant“ in EPFULL=> FILE EPFULL

=> S HITACHI/PA L1 13824 HITACHI/PA

=> E EPB452EP/LSCE276 662702 EPB451EP ANNOUNCEMENT OF INTENTION TO GRANT/LSC

E277 317928 --> EPB452EP/LSC

E278 317928 EPB452EP INTENTION TO GRANT/LSC

E279 478 EPB452EPD/LSC

E280 478 EPB452EPD INTENTION TO GRANT (DELETED)/LSC

E281 1754 EPB452EPR/LSC

E282 1754 EPB452EPR INTENTION TO GRANT (CORRECTION)/LSC

E283 377978 EPB475/LSC

E284 377978 EPB475 LAPSE OF PATENT/LSC

E285 192 EPB475D/LSC

E286 192 EPB475D LAPSE OF PATENT (DELETED)/LSC

=> S L1 AND EPB452EP/LSC(P)UPLS=20061108L2 8 L1 AND EPB452EP/LSC(P)UPLS=20061108

Unique to STN: searchable EPO Legal Status Codes.

Identify the relevant Legal Status Codes.

Use (P)-operator to combine LSC with LSUP

New: Complete list of Legal Status Codes:http://www.stn-international.de/training_center/patents/LSCs.pdf

=> D BIB.M HIT

L2 ANSWER 1 OF 8 EPFULL COPYRIGHT 2006 EPO/FIZ KA on STN

AN 2004:150498 EPFULL EDP 20050928 ED 20050928 UP 20061108

DUPD 20061108 DUPW 200645

TIEN Storage apparatus for asynchronous remote copying.

TIFR Dispositif de stockage de donnees permettant le miroitage asynchrone de

donnees a distance.

TIDE Speichervorrichtung fuer asynchrone entfernte Datenspiegelung.

IN Muto, Yoshiakic/o Hitachi Ltd, Intel Prop Group6-1, Marunouchi 1-chome,

Chiyoda-kuTokyo 100-8220, JP; . . .

PA Hitachi, Ltd., 6-6, Marunouchi 1-chome Chiyoda-ku, Tokyo, JP

PIT EPA1 Application published with search report

PI EP 1580662 A1 20050928

DS DE FR GB

AI EP 2004-256190 A 20041006

PRAI JP 2004-85032 A 20040323

PA Hitachi, Ltd., 6-6, Marunouchi 1-chome Chiyoda-ku, Tokyo, JP

Monitor Intention to Grant in EPFULL

LEGAL STATUS

AN 2004:150498 EPFULL

20061108 EPB452EP Intention to grant

20061011

...........................................20061108

=> QUE L1 AND EPB452EP/LSC(P)UPLS/LAST L3 QUE L1 AND EPB452EP/LSC(P)UPLS/LAST

=> SDI L3ENTER UPDATE FIELD CODE (UP) OR ?:UPLSENTER SDI REQUEST NAME, (AA006/S), OR END:HITACHI/S. . .ENTER PRINT FORMAT (STD.M) OR ?:MAXHIGHLIGHT HIT TERMS? (Y)/N:yARCHIVE ANSWERS? Y/(N):.REDISTRIBUTE ANSWERS? Y/(N):.ENTER MAXIMUM NUMBER OF HITS TO BE PRINTED PER RUN (100):.SORT SDI ANSWER SET (N)/Y?:.SEND SDI WITH NO ANSWERS? (Y)/N:.ENTER SDI EXPIRATION DATE 'YYYYMMDD' OR (NONE):.QUERY L9 HAS BEEN SAVED AS SDI REQUEST ‘HITACHI/S'

Combine data within one legal status entry with (P)

Use UPLS as update code

MAX= ALL.M + LSEP.M

Monitor Intention to Grant in EPFULL

coming soon…!

• USGENE is The USPTO Genetic Sequence Database – a completely new resource for comprehensive patent sequence searches

• Producer: SequenceBase Corporation• Coverage: USPTO published application & issued

patent sequences, 1982 to present• Text: original title, abstract & claims• Includes: SEQ ID NOs, full patent assignee &

inventor names, numbers and dates

A typical record from USGENE on STNL1 ANSWER 1 OF 347 USGENE COPYRIGHT 2006 SEQUENCEBASE CORP on STNACCESSION NUMBER: 6825322.1 cDNA USGENE TITLE: Human N-methyl-D-aspartate receptor subunits, nucleic acids encoding same and uses therefor (Patent)INVENTOR: Daggett Lorrie P. (San Diego, CA); Lu Chin-Chun (San Diego, CA)PATENT ASSIGNEE: Merck & Co Inc (Rahway NJ)PATENT INFO: US6825322 B2 20041130APPLICATION INFO: US 2002-038937 20020104DOCUMENT TYPE: PatentORGANISM: Not providedABSTRACT: In accordance with the present invention, there are provided nucleic acids

encoding human NMDA receptor protein subunits and . . . CLAIMS: US6825322 B2: What is claimed: 1. An isolated and substantially pure N-methyl-D-aspartate receptor subunit

comprising an amino acid sequence as set forth in SEQ ID NO:56, . . .BLASTALIGN Query = 4298 letters Length = 4298 Score = 8520 bits (4298), Expect = 0.0 Identities = 4298/4298 (100%) Strand = Plus / PlusQuery: 1 caagccgggcgttcggagctgtgcccggccccgcttcagcaccgcggacagcgccggccg ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||Sbjct: 1 caagccgggcgttcggagctgtgcccggccccgcttcagcaccgcggacagcgccggccg

USGENE features original title, abstract and claims.

DGENE and PCTGEN have been enhanced

• Two new features have been provided with the release of STN Express, Version 8.0+

– Query Upload Wizard for uploading sequence query text files for use with the RUN BLAST or RUN GETSIM commands

– Post-processing tools now work with the BLAST and GETSIM SCORE field, e.g., for inclusion into tables using the Table Tool

INSPEC has been reloaded• All former stop words have been eliminated• Simultaneous left and right truncation (SLART) is

now available in TI, AB, and BI• New search and display fields:

– Abstract (/AB)

– Availability (/AV) – original documents, mainly for reports, dissertations, and conference proceedings

– Controlled Word (/CW) – additional to the bound phrase index Controlled Term (/CT)

– Specific source information search fields additional to Source field (/SO), such as ISSN, Publisher, URL

INSPEC Archive

• The Inspec Archive has been digitised from the Science Abstracts journal series, in particular:

• Science Abstracts (1898 - 1902) • Science Abstracts: A - Physics Abstracts (1903 - 1968) • Science Abstracts: B - Electrical Engineering (1903 - 1965) • Science Abstracts: B - Electrical & Electronics Abstracts

(1966 - 1968) • Science Abstracts: C - Control Abstracts (1966 - 1968)

• The archive comprises 873,699 records• INSPEC now contains more than 9.8 million

records in total

WTEXTILES (World Textiles)

• Enhanced with new coverage on the use of textiles in medical field.

• Over 9800 records added from 2003 to the present). They relate to subjects such as protective materials, dressings, medical equipment, textiles finishing and washing, etc.

• WTEXTILES now contains 338,746 records from 1970 to date. (9/2006)

FSTA - JAPANESE PATENTS NOW INCLUDED

• Covers all scientific and technological aspects of the processing and manufacturing of human food products

• Up to one hundred Japanese Patent records are being added each week.

• The target is to achieve some 2500 records by the end of the year

• Approx. 730.000 records in total (10/2006)

FIZ AutoDoc – Release 11/2006 The FIZ AutoDoc Standard version is now available for STN

users as well Highlights:

Optimized user interaction Order capabilities for all types of literature (> 120.000 Journals) … Checking and verification of entered data ISSN identification by journal title Various delivery formats and speeds Automatic supplier selection according to selected options Extended history function Detailed cost display during the order process Billing via STN account

FIZ AutoDoc – Release 11/2006What does it mean for STN Users ?

OLDNEW

FIZ AutoDoc – The new Order Form

1. Navigation Bar 2. Order Form3. Address Data4. Last three Orders5. Notification e-mail

2

4

3

51

FIZ AutoDoc – More Delivery Formats

DRM Formats !

< 48 hours

< 24 hours

< 3 hours

Confirmation / Access to Order

History

The “Order Details“ page sumarizes your order:

Document Details

Format / Speed

Automatically selected Supplier

Pocessing Mode

Estimated Costs

Additional Information

Use the Submit Order button to submit your order

Use the „Edit“ to return to the order form and make new selections

FIZ AutoDoc – New Order Details Page

FIZ AutoDoc Document Suppliers (11/2006)

Document suppliers - Journal Full-text: Technische Informationsbibliothek (TIB) Deutsche Zentralbibliothek für Medizin (ZBMED) Deutsche Zentralbibliothek für Medizin Bereichsbibliothek für Ernährung, Umwelt und

Agrarwissenschaften Bayerische Staatsbibliothek (BSB) Senckenbergische Bibliothek (SeB) / Universitätsbibliothek Frankfurt British Library Document Supply Centre (BLDSC) Canada Institute for Scientific and Technical Information (CISTI), Ottawa Institut d'Information Scientifique et Technique (INIST) Rapra Technology Ltd. (RAPRA)

Document suppliers - Patents: Thomson Patent Store

Pay-per-View Option - Journal Articles: Karger Thieme Springer (in preparation)

Agenda




CASM/CAplusSM continue to be significantly enhanced

• CAplus now contains over 166 million citations• Power of the Company Name Thesaurus increased

with a reload including almost 90,000 unique names and over 36,000 name families

• More pre-1907 records added to CA/CAplus– Data from the 1878-1906 issues of the Journal of the

Chemical Society-Transactions (over 2,600 records)

– U.S. patent records from 1890 to 1906 (over 8,700 records)

Enhanced patent information in CASM/CAplusSM continues to be a focus

• CAS sets new timeliness standard by making Chinese patent records available by approximately 120 days before competitive services

• F-Term Thesaurus (Japanese patent classification codes) enhanced with hierarchical displays and more searching options

• Korean patent data for 2004-2006 added to CA/CAplus

Pre-1967 chemical substance information in CA/CAplus enhanced with preparation

role

• Simplifies retrieval of information on preparations and syntheses

• Applies to references from 1907-1966

• Almost 4 million index entries enhanced

Patent Kind Code data updated in CA/CAplus

• Effective late 2006, patent kind codes will now always match the kind code data published on the patent document

• New patent kind codes will be used beginning in December 2006

• Backfile will be updated, starting in December 2006, to ensure searching consistency across the files

• Old patent kind code data will now appear in the PK.OLD and PK.B.OLD fields

• SDIs and saved search queries should be updated• List of kind code changes available on the www.cas.org

web site

http://www.cas.org/

The number of substances added to CAS REGISTRYSM is projected to

reach record level in 2006

• Continued growth of new substances from patents• Additional substances from Chemical Catalogs• Other substance collections such as NCI Cancer

Screened databases

• REGISTRY has been updated to include the amino acid

code for pyrrolysine. By the end of 2006, REGISTRY will have over 30 million small molecules, with over 3 million new small molecule registrations in 2006

CAS REGISTRY property data enhanced and growing

• Over 1.4 billion predicted and experimental properties, tags, and spectra in REGISTRY for over 22 million CAS Registry Numbers®

• Enhanced with the addition of experimental NMR and IR spectra

CASREACT® now contains over 11 million reactions

• Includes over 4.6 million single-step reactions and more than 6.6 million multi-step reactions

• Additional reactions from 1992-1998 to be loaded later this year

CASREACT–answers your chemical reaction questions

Processing efficiencies and new data added to MARPAT®

• Daily updates coming soon• Improved highlighting in display formats

– A new SET option in MARPAT, SET MARHIGHLIGHT ON/OFF, allows you to turn highlighting improvements introduced in 2005 ON and OFF

• Coverage in MARPAT extended back to 1961 with addition of more Markush structures

Several databases on STN have been enhanced recently

• TULSA/TULSA2 (Petroleum Abstracts) – Reloaded and enhanced with new search and

display fields. IPC thesauri added.• ADISCTI (ADIS Clinical Trials Insight)

– Reloaded and enhanced

IFI database enhancements are on the way

• Reload of IFIPAT/IFIUDB/IFICDB– IPC 8-compliant – IPC 8 Thesaurus to be added

Questions?Ursula Klemm, FIZ Karlsruhe

Heidrun Waldhoff, CASSTN User Meeting Bologna

December 6, 2006

Agenda09.30 - 10.00 Registrazione 10.00 - 10.30 Novità in STN (CAS Files) Ms. H. Waldhoff CAS

10.30 – 11.00 Novità in STN (Altri STN Files) Dr. U. Klemm STN

11.00 - 11.30 Le proprietà chimico-fisiche in Registry Dr. G. Rucci 11.00 - 11.30 Le proprietà chimico-fisiche in Registry Dr. G. Rucci STN/CASSTN/CAS





Le proprietà chimico-fisiche in RegistryLe proprietà chimico-fisiche in Registry

Guglielmo Rucci

Structure CAS Registry Number

CAS Index Name

Molecular Formula

Calculated Properties

Experimental Properties

Properties in Registry

UNITS in Registry=> help unit The following are the default search units for the property search fields in the REGISTRY File: Property Search Field Default Unit ---------- ------------- ------------ Bioconcentration Factor /BCF none Bioconcentration Factor pH /BCF.PH none Boiling Point /BP deg C Boiling Point Pressure /BP.P deg C Density /DEN g/cm**3 Density Pressure /DEN.P Torr Density Temperature /DEN.T deg C Electric Conductance /ECON Siemens Electric Conductance Temperature /ECON.T deg C Electric Conductivity /ECND S/cm Electric Conductivity Temperature /ECND.T deg C Electric Resistance /ERES ohm Electric Resistance Temperature /ERES.T deg C Electric Resistivity /EREST ohm*cm. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .

UNITS in Registry=> help set unitThe unit systems available are: SI, MKS, CGS, STN (commonly usedmetric units), FPS, and ENG (commonly used U.S. Engineering units). The default units for numeric fields in a file are the units in which the file was loaded. You may change the unit for a numeric field byentering "SET UNIT" at an arrow prompt (=>). You will be prompted forthe field codes and units that you want to change. The equal sign(=) is required and unit designations may have no intervening spaces. Examples: => SET UNIT ENTER FIELD CODES AND UNITS OR (END):BP=K => SET UNIT ENTER FIELD CODES AND UNITS OR (END):BP=F DEN=LB/FT**3 => SET UNIT BP=F DEN=LB/FT**3 => set unit all=cgsSET COMMAND COMPLETED => set unit all=stnSET COMMAND COMPLETED


=> e property data/faE1 1278 PR/FAE2 1278 PREFERRED REGISTRY NUMBER/FAE3 22.110832 --> PROPERTY DATA/FAE3 22.110832 --> PROPERTY DATA/FAE4 1.854687 PROPERTY TAGS/FAE4 1.854687 PROPERTY TAGS/FAE5 21508929 PSA/FAE6 52711311 REF.CA/FAE7 646085 REF.CAD/FAE8 1448140 REF.CAOLD/FAE9 52755909 REF.CAPLUS/FAE10 65579 REFRACTIVE INDEX/FAE11 162710 RELATED POLYMERS/FAE12 522144 REPLACED REGISTRY NUMBER/FA

Calculated data

Experimental data


Calculated data

Values for the calculated physical properties in the REGISTRY file were determined using CAS connection tables and software developed byAdvanced Chemistry Development, Inc.


Calculated data

pKa for the most acidic and most basic centers in the molecule

Number of Hydrogen Donors / Acceptors

Number of Rotatable Bonds

Molecular Weight

Molar Solubility in water at various pHs

logP/logD (water-octanol partition coefficients)


The LipinskiLipinski, calculated properties, are the important characteristics for successful drug candidates.

<=5 Hydrogen-bond donors <=10 Hydrogen-bond acceptors <=500 Molecular weight <=5 Calculated logP


Calculated data

Bioconcentration factor

Boiling point

Enthalpy of Vaporization

Flash point

Organic Carbon Adsorption Coefficient (Koc)

Vapor pressure


* Bioconcentration Factor - provides an indication of how readily a substance accumulates in organisms, living in an environment polluted by that substance (applies primarily, but is not limited to, aquatic environments)

* Boiling Point - provides an indication of the temperature at which a compound goes from the liquid to gaseous state

* Enthalpy of Vaporization - provides an indication of the volatilization characteristics of a compound and is useful in remediation studies involving organic compounds

* Flash Point - provides an indication of the temperature at which a substance ignites and is useful in predicting explosive atmospheres in chemical manufacturing and processing applications

* Organic Carbon Adsorption Coefficient (Koc) - provides an indication of how readily a substance accumulates in the organic component of soils and other particulate matter vs. migrating with the aqueous environment surrounding soil particles and is especially important in remediation and bioavailability studies

* Vapor pressure - provides an indication of a compound's tendency to evaporate


Calculated data

Property Search Example Units ---------- ----------------- ------- Freely Rotatable Bonds S 2-5/FRB --- Hydrogen Donors S HD<=5 --- Hydrogen Acceptors S 1-3/HAC --- LogD S 2.21/LOGD --- LogP S LOGP<=3 --- Molar Solubility S SLB.MOL>=1 MOL/L Molecular Weight S MW<200 --- pKa S PKA<=-0.62 ---


Experimental data

The source of experimental property data in the REGISTRY file is the SPRESI database produced by ZIC/VINITI and offered by Infochem. The data added to the REGISTRY file are from the journal and patent literature in the time period 1975-.


Experimental data

Definitions: Boiling Point - the temperature at which . . . . Density - mass per unit volume of . . . . Melting Point - the temperature at which . . . . Some melting point temperatures may be flagged . . . Polymorph - indicates the melting point . . . Sublm - indicates the temperature . . . . Decomp - indicates the temperature . . . . Optical Rotatory Power - the degree of rotation . . . . Refractive Index - the ratio of the . . . .


Experimental data

Experimental Properties (EPROP) PROPERTY (CODE) | VALUE | CONDITION | NOTE =====================+===================+=================+==========Boiling Point (BP) |110.63 deg C | | (1) CAS

(1) Broholm, Mette M.; Environmental Science and Technology 2005

V39(21) P8251-8263 CAPLUS



Spectra

Properties in Registry=> e a/spec

**** START OF FIELD ****

E2 125424 13/SPEC125424 13/SPEC

E4 16351 ABSORPTION/SPEC16351 ABSORPTION/SPEC

E5 125424 CARBON/SPEC125424 CARBON/SPEC

E6 125424 CARBON-13 NMR SPECTRA/SPEC125424 CARBON-13 NMR SPECTRA/SPEC

E7 16351 IR/SPEC16351 IR/SPEC

E8 16351 IR ABSORPTION SPECTRA/SPEC16351 IR ABSORPTION SPECTRA/SPEC

E9 16351 IR SPECTRA/SPEC16351 IR SPECTRA/SPEC

E10 31139 MASS/SPEC31139 MASS/SPEC

E11 31139 MASS SPECTRA/SPEC31139 MASS SPECTRA/SPEC

E12 125424 NMR/SPEC125424 NMR/SPEC

E13 125424 NMR SPECTRA/SPEC125424 NMR SPECTRA/SPEC

E14 159420 SPECTRA/SPEC159420 SPECTRA/SPEC

**** END OF FIELD ****


=> e6L1 125424 "CARBON-13 NMR SPECTRA"/SPEC => help dfields . . . . . . . . . . . . . . . . . SPEC Spectra SPEC.C13NMR Carbon-13 NMR Spectra SPEC.IR IR Absorption Spectra => d spec

=> d eprops L1 ANSWER 1 OF 80227 REGISTRY COPYRIGHT 2006 ACS on STN Experimental Properties (EPROP) PROPERTY (CODE) | VALUE | NOTE =====================+========+==========Carbon-13 NMR Spectra|Spectrum|(1) WSS (1) Spectral data were obtained from Wiley Subscription Services, Inc. (US) Experimental Property Tags (ETAG) PROPERTY | NOTE ==================+=======Proton NMR Spectra|(1) CAS (1) Yu, Jiangbo; Inorganic Chemistry 2005 V44(5) P1611-1618 CAPLUS



=> e8L2 16351 "IR ABSORPTION SPECTRA"/SPEC => d spec

Strategies for searching property Strategies for searching property informationinformation

Strategies for searching property information

• Basic strategies search a property directly

• 173/BP

• Advanced strategies offer search precision• Property note (PNT), • Property source (PSO), • Property type (PTYP)• Uncertainty range (UR)

• Use (P)-operator to combine property values with property conditions

(P)-operator (P)-operator



Search Question:

Find the boiling point for sec-butylbenzene.


=> fil reg=> e sec-butylbenzene/cn 5E1 1 SEC-BUTYLASTATINE/CNE2 1 SEC-BUTYLAZINE/CNE3 1 --> SEC-BUTYLBENZENE/CN. . . . . . . . . . . . . . . . . . . .

=> e3 and bp/faL1 1 SEC-BUTYLBENZENE/CN AND BP/FA


=> d qrd L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2006 ACS on STN RN 135-98-8 REGISTRYED Entered STN: 16 Nov 1984CN Benzene, (1-methylpropyl)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Benzene, sec-butyl- (8CI)OTHER NAMES:CN (+-)-sec-Butylbenzene. . . . . . . . . . . . .CN sec-Butylbenzene

EtMe

Ph

CH


Search Question:

Find compounds with Boiling Point at 100 °C exactly .


Search Question:

Find compounds with LD50 value, for the mouse, between 741-745 mg/kg exactly .

Search Question: Identify compounds isolated from the gardenia flower with the following properties:

•Density 0.94–1.05 gr/cc at 20 °C (Experimental)•bp = 218–287 °C at 1 atm.•mp = 17–18 °C


=> fil reg=> set unit den=g/cm**3SET COMMAND COMPLETED

=> set unit den.t=CSET COMMAND COMPLETED

=> set unit mp=cSET COMMAND COMPLETED

=> 218-287 C/bp(p)760 torr/bp.p and 0.94-1.05/den(p)20/den.t (p)exp?/ptyp and 17-18/mp L1 20 218-287 C/BP(P)760 TORR/BP.P AND


=> fil caplus => l1 and gardeniaL2 13 L1 AND GARDENIA => sel l2 hit rn SmartSELECT INITIATED New TRANSFER and ANALYZE Commands Now AvailableSee HELP TRANSFER and HELP ANALYZE for Details L3 SEL L2 1- RN HIT : 8 TERMS



Me

Me

Me

Me

EE

E

Me

Me

OHC

C

CH2

EtPh CH2 CH2 O C

O

Search Question: Find compounds containing the followingsubstructure, which are biologically active:


= > F I L E R E G I S T R Y

= >L 1 S T R U C T U R E U P L O A D E D

= > D L 1

L 1 S T RN

N

N

O

C H 2C H 2

C H 2N

N

= > S L 1 S S S S A ML 2 5 S E A S S S S A M L 1

= > S L 1 S S S F U L LL 3 9 0 S E A S S S F U L L 1

Side groups were eliminated to makethe structure more general. The triazole ring was isolated.


=> S L3 AND LIPINSKI/CALC

13637444 0-5/HD 13042269 0-10/HAC 10767381 LOGP <= 5 11517767 0-500/MW 9280086 LIPINSKI/CALC (0-5/HD AND 0-10/HAC AND LOGP <= 5 AND 0-

500/MW)L4 25 L3 AND LIPINSKI/CALC


= > D Q R D

L 4 A N S W E R 1 O F 2 5 R E G I S T R Y C O P Y R I G H T 2 0 0 3 A C S o n S T NR N 5 4 4 4 3 6 - 1 9 - 3 R E G I S T R Y

( C H 2 ) 3

E t

A c

C lO H

NNN

N

ON

H y d r o g e n D o n o r s ( H D ) H y d r o g e n A c c e p t o r s ( H A C )

C O D E | V A L U E | N O T E C O D E | V A L U E | N O T E= = = = + = = = = = + = = = = = = = = = = = + = = = = = + = = = = = = =H A C | 8 | ( 1 ) A C D H D | 1 | ( 1 ) A C D

···


Experimental property data tags (/ETAG)

Properties in Registry/CAPlus

Beginning March 20th, 2005, over 2 million substances in REGISTRY will be

• enriched with “tags” pointing to additional experimental data.

186 CAS data tags (includes 13 existing) 38 InfoChem data tags

Tags point to CA references Many charts, spectra, & tables are referenced Experimental property tags allow you to navigate from REGISTRY to the

document where the property was reported



=> e property data/faE1 1278 PR/FAE2 1278 PREFERRED REGISTRY NUMBER/FAE3 22.110832 --> PROPERTY DATA/FAE3 22.110832 --> PROPERTY DATA/FAE4 1.854687 PROPERTY TAGS/FAE4 1.854687 PROPERTY TAGS/FAE5 21508929 PSA/FAE6 52711311 REF.CA/FAE7 646085 REF.CAD/FAE8 1448140 REF.CAOLD/FAE9 52755909 REF.CAPLUS/FAE10 65579 REFRACTIVE INDEX/FAE11 162710 RELATED POLYMERS/FAE12 522144 REPLACED REGISTRY NUMBER/FA

Experimental property data tags


=> e a/etag**** START OF FIELD ****. . . . . . . . . . . . . .E5 2961 ACID/BASE DISSOCIATION CONSTANT (KA/KB)/ETAG. . . . . . . . . . . . . . E18 2952 BORON-11 NMR SPECTRA/ETAG. . . . . . . . . . . . . .E33 65766 CRYSTAL STRUCTURE/ETAG. . . . . . . . . . . . . .E57 10340 ESR SPECTRA/ETAG. . . . . . . . . . . . . .E88 588673 IR ABSORPTION SPECTRA/ETAG. . . . . . . . . . . . . . E110 561130 MASS SPECTRA/ETAG. . . . . . . . . . . . . . => s e5L1 2961 "ACID/BASE DISSOCIATION CONSTANT (KA/KB)"/ETAG



=> d prop

Experimental Property Tags (ETAG) PROPERTY | NOTE =======================================+=======Acid/Base Dissociation Constant (Ka/Kb)|(1) CASCarbon-13 NMR Spectra |(1) CASProton NMR Spectra |(1) CAS (1) Jaszberenyi, Z.; Dalton Transactions 2005(4) P694-701 CAPLUSJaszberenyi, Z.; Dalton Transactions 2005(4) P694-701 CAPLUS Predicted Properties (PPROP) PROPERTY (CODE) | VALUE | CONDITION | NOTE ============================+===================+===========+=======Bioconc. Factor (BCF) |1.03 |pH 1 |(1) ACD. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .



ANSWER 1 CAPLUS COPYRIGHT 2006 ACS on STN ACCESSION NUMBER: 2005:38254 CAPLUS Full-textDOCUMENT NUMBER: 143:306245TITLE: Synthesis and determination of acid dissociation constants of some new 4,5-dihydro-1H-1,2,4-triazol-5- one derivativesAUTHOR(S): Yueksek, Haydar; Bahceci, Sule; Ocak, Zafer; Oezdemir, Mustafa; Ocak, Mirac; Ermis, Burhan; Mutlu, TolgaCORPORATE SOURCE: Department of Chemistry, Kafkas University, Kars, 36100, Turk.SOURCE: Asian Journal of Chemistry (2005), 17(1), 195-201 CODEN: AJCHEW; ISSN: 0970-7077PUBLISHER: Asian Journal of ChemistryDOCUMENT TYPE: JournalLANGUAGE: English

http://chemport.cas.org/cgi-bin/ex_sdcgi?E97b3WxikWd6BwE@LHmqTzhSPDQMYd86HlIda3YFmUzBPl7u067ZsShYWDVJaTSLaI60qAzTZa93OUhgCm1pyz__a5yVQD4DAUA_aVlFxdz3qMi8LpsWHcA7CMy9cOm59@AkaVl5@Mz6RNWjCtmykpj3dBH_3EmogCe2XHzYW0tyZa6T1F78bH_2P5S8Do4

Search Question: Find the Young’s modulus of alumina.


=> fil reg => e young/etagE1 698 X-RAY SCATTERING/ETAGE2 2310 X-RAY SPECTRA/ETAGE3 0 --> YOUNG/ETAGE4 3260 YOUNG'S MODULUS/ETAG**** END OF FIELD **** => alumina/cnL1 1 ALUMINA/CN => l1 and e4 3260 "YOUNG'S MODULUS"/ETAGL2 1 L1 AND "YOUNG'S MODULUS"/ETAG


=> d qrd L2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2006 ACS on STN RN 1344-28-1 REGISTRYED Entered STN: 16 Nov 1984CN Aluminum oxide (Al2O3) (8CI, 9CI) (CA INDEX NAME). . . . . . . . . . . . . . . . . . . . . . .Experimental Property Tags (ETAG) PROPERTY | NOTE ===============+========Young's Modulus| (1) CASYoung's Modulus| (2) CAS. . . . . . . . . . . . . . . (1) Neagu, R.; Key Engineering Materials 2004 V264-268(Pt. 2, Euro Ceramics VIII) P1087-1090 CAPLUS


=> FIL CAPLUS => D ACC 2004:653081 IBIB ANSWER 1 CAPLUS COPYRIGHT 2006 ACS on STN ACCESSION NUMBER: 2004:653081 CAPLUS Full-textDOCUMENT NUMBER: 141:247149TITLE: Non-destructive method for impact resisting alumina composites characterizationAUTHOR(S): Neagu, R.; Motoc, S.; Volceanov, E.; Gurban, A. M.; Motoc, A. M.CORPORATE SOURCE: Dept. of Refractory Materials, Metallurgical Research Institute ICEM SA, Bucharest, Rom.SOURCE: Key Engineering Materials (2004), 264-268(Pt. 2, Euro Ceramics VIII), 1087-1090 CODEN: KEMAEY; ISSN: 1013-9826PUBLISHER: Trans Tech Publications Ltd.DOCUMENT TYPE: JournalLANGUAGE: English


http://chemport.cas.org/cgi-bin/ex_sdcgi?H9SbDShi7MSqPVx9huV8riZWfRIJrDZ6fRmSMSVO2YIQDnlo1XmrDSwvfG37rZlcVIW6qfvE@PwSjnKEYzqQOiN7ePy7Kdbs9mefWijKrAI3ZYl2uVnr8cvJlR6Kl@h5_9@fJPmxD9WinDKbVh7I8RSY3IYmjYMajphIA3cA5wr7yrZJMxEH7DHW_vYIJajz

Find pka of Camphorsulfonic acid (3144-16-9)


=> fil reg=> 3144-16-9L1 1 3144-16-9 (3144-16-9/RN) => d prop


Experimental Property Tags (ETAG) PROPERTY | NOTE ====================================================+=======Dielectric Constant |(1) CASElectric Current-Potential Curve |(2) CASIR Reflectance Spectra |(1) CAS 1 more tag shown in the MAX or ETAGFULL formats|Optical Rotatory Power |(3) CAS 1 more tag shown in the MAX or ETAGFULL formats|Partition Coefficient |(4) ICUV and Visible Absorption Spectra |(2) CASX-Ray Reflectance Spectra

=> fil caplus => l1(l)prp/rl L2 213 L1(L)PRP/RL => l2 and pka L3 2 L2 AND PKA


AN 1981:36188 CAPLUS Full-textDN 94:36188TI Therapeutic doses and physicochemical constants of bases and acidsAU Volpi, A.; Toffoli, F.CS Farm. "Al Moro", Mantua, ItalySO Bollettino Chimico Farmaceutico (1979), 118(10), 594-609 CODEN: BCFAAI; ISSN: 0006-6648DT JournalLA Italian


http://chemport.cas.org/cgi-bin/ex_sdcgi?geRf@qYCUynSOaow1v3xnPL6e_hUQyJov9P02mxdJtPyjEXwaAx7LZLx@r9f5ZWq3LSaxOVxQ2QmBMHenJ57aPNEu4jUY4zcrGOh2UvQTcPbGzT41FOGMJeXB3jK_@QNe2OP25vs29PPtApTil7alqhbKOLNMoujyn@XvQLQXKsj7Jg5LpxnqLN_eaZJrvz

AB A study of .apprx.100 acidic and basic drugs showed the following relation: log1/D is a function of (log 1/Ka)(log1/S), where D is the av. max. dose for adults (expressed in moles), Ka is the dissocn. const. of the protonated form of the compd., whether acid or base, and S is a soly. parameter inversely proportional to the thermodn. activity coeff., , of the undissocd. mol. in dil. aq. soln. More commonly expressed, with p being the neg. logarithm, pD is a function of ( pKa )(pS). A plot of pD vs. (pKa )(pS) gave a hyperbola, the 2 arms of which were nearly straight lines.





11.30 - 11.45 Coffee Break11.30 - 11.45 Coffee Break 11.45 - 12.30 La ricerca delle sostanze polimorfe in STN III° Dr. A. Tarquini Notarbartolo







11.30 - 11.45 Coffee Break 11.45 - 12.30 11.45 - 12.30 La ricerca delle sostanze polimorfe in STN III° La ricerca delle sostanze polimorfe in STN III° Dr. A. Tarquini NotarbartoloDr. A. Tarquini Notarbartolo




Ricerca del polimorfismo di composti organici in STN

Terza Parte

Simona Casolla Dipharma S.p.A

Barbara RivaAntonio Tarquini

Notarbartolo&Gervasi S.p.A.

2006

Polimorfismo

• Esistenza di forme cristalline diverse per una stessa sostanza

• Polimorfismo dei composti organici solidi

• Polimorfismo dei composti organici solidi ad attività farmacologica (API)

Problema scientifico e brevettuale

• I polimorfi degli APIs diventano oggetto di interesse scientifico e brevettuale, perché 1. sono dotati di caratteristiche chimico fisiche che ne consentono un isolamento favorevole (solubilità,condizioni di cristallizzazione,ecc…).2. caratterizzate da particolari proprietà reologiche (igroscopicità, scorrevolezza, caricabilità elettrostatica, ecc…)3. sono dotati di diversa biodisponibilità e quindi di peculiari attività farmacologiche.

• I polimorfi degli APIs, oggetto di interesse brevettuale, ne condizionano fortemente produzione e/o commercializzazione.

Polimorfismo

User's Days

2004-2005

Marpat(Prev.)

Registry

Ifiudb

USPat.(it,ti,st,clm,ab)

Ifiref

HCAPlus(PATIPC)

Wpindex(DCR)

Others

Wpids(FC-MC)

DUP. IDE.FSORT

Citations

Patents search flow-sheet

(only subscribers)

Ricerca documentale non brevettuale

Marpat(Prev.)

Registry

Ifiudb


Ifiref

HCAPlus(PATIPC)

Wpindex(DCR)

Others

Wpids(FC-MC)

DUP. IDE.FSORT

Citations


(only subscribers)

Ricerca documentale brevettuale

Marpat(Prev.)

Registry

Ifiudb


Ifiref

HCAPlus(PATIPC)

Wpindex(DCR)

Others

Wpids(FC-MC)

DUP. IDE.FSORT

Citations


(only subscribers)

Creazione di un profilo di ricerca (Qdef)

applicabile nel B.I. di altri files

User's Days 2004-2005 • => act Qdef/q• QUE ABB=ON PLU=ON HYDRATES+UF,RT/CT OR HYDRATED SALTS OR SALT HYDRATES OR• "SOLID SOLUTIONS"+UF/CT OR "SOLUTIONS, SOLID"/CT OR MIXED CRYSTALS OR "SOLID SOLNS." OR "SUBSTITUTIONAL SOLID

SOLNS." OR MICROSTRUCTURE/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) IR SPECTRA"+UF/CT OR IR SPECTRA-CRYSTAL STRUCTURE RELATIONSHIP OR "CRYSTAL MORPHOLOGY"+ALL/CT OR CRYSTAL FACETS OR CRYSTAL HABIT OR CRYSTAL SHAPE OR CRYSTAL SYMMETRY OR MORPHOTROPY OR "SINGLE-CRYSTAL MORPHOL." OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) RAMAN SPECTRA"+ALL/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) NMR"+ALL/CT OR NMR-CRYSTAL STRUCTURE RELATIONSHIP "THERMOGRAVIMETRIC ANALYSIS"+UF,RT/CT

• OR "TG (THERMOGRAVIMETRY)" OR "TGA (THERMOGRAVIMETRIC ANALYSIS)" OR "THERMOGRAVIMETRY (TG)" OR "THERMAL ANALYSIS"+UF/CT OR THERMOMETRIC ANALYSIS OR CALORIMETRY+OLD,UF/CT OR "BATCH CALORIMETRY" OR "DIFFERENTIAL SCANNING CALORIMETRY"+OLD,UF,RT/CT OR "DSC (DIFFERENTIAL SCANNING CALORIMETRY)" OR "DIFFERENTIAL SCANNING CALORIMETRY (DSC)" OR "POLYMORPHISM (CRYSTAL)"+OLD,UF,NT,RT/CT OR POLYMORPHIC TRANSITION OR POLYSTRUCTURE/CT OR "AMORPHOUS STRUCTURE"+UF/CT OR CRYSTALLINITY+UF/CT OR CRYSTALLIZATION/CT OR CRYSTALS/CT OR CRYSTAL STRUCTURE/CT OR "CRYSTALLINITY (L) TRANSCRYSTALLINITY"+OLD,UF/CT OR TRANSCRYSTALLINITY/CT OR CRYST. TEXTURE OR CRYSTALLOG. TEXTURE OR CRYSTALLOGRAPHIC TEXTURE OR GRANULARITY OR POLE FIGURES OR TEXTURE/CT OR X-RAY DIFFRACTION/CT OR X-RAY DIFFRACTOMETRY/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) RAMAN SPECTRA"/CT OR "POLYMORPHISM (CRYSTAL) (L) DIMORPHISM"+OLD/CT OR "POLYMORPHISM (CRYSTAL) (L) ENANTIOTROPY"+ OLD/CT OR POLYMORPHISM (CRYSTAL) (L) ISODIMORPHISM"/CT OR "POLYMORPHISM (CRYSTAL) (L)MONOTROPY"+OLD/CT OR "POLYMORPHISM (CRYSTAL) (L) PSEUDOPOLYMORPHISM"+OLD,UF/CT

• OR "POLYMORPHISM(L)DIMORPHISM"/CT OR "POLYMORPHISM (CRYSTAL) (L) PSEUDOPOLYMORPHISM"/CT OR "STRUCTURAL PHASE TRANSITION"+OLD,UF/CT OR "POLYMORPHISM (CRYSTAL)"/CT OR CRYSTAL STRUCTURE TRANSITIONS OR CRYSTAL TRANSITIONS OR PHASE TRANSFORMATION OR POLYMORPHIC TRANSITION OR SOLID STATE PHASE TRANSITION OR SOLID-SOLID PHASE TRANSITION OR SOLID-STATE PHASE TRANSITION OR STRUCTURAL PHASE TRANSFORMATION OR STRUCTURAL TRANSITIONS OR POLYMORPHISM/CT OR "POLYMORPHISM (CRYSTAL)"/CT OR "POLYMORPHISM (CRYSTAL)"+OLD,UF,NT,RT/CT OR POLYMORPH? OR "CRYSTAL STRUCTURE"/CT OR CRYSTALLINITY+UF,RT/CT OR "CRYSTALLINITY (L) TRANSCRYSTALLINITY"/CT OR CRYSTALL? OR ALLOTROPY/CT OR "POLYMORPHISM (CRYSTAL)(L) ALLOTROPY"/CT OR ALLOTROP? OR AMORPHO? OR PSEUDOMORPHISM? OR SOLID(W)STATE? OR ?CRYSTALL? OR "X-RAY ANALYSIS" OR PARAMORPHISM OR CRYSTAL(W)MORPHOL? OR SOLVATES+NT1,RT/CT OR HYDRATE? OR SOLVAT? OR SOLVATION+NT1,UF/CT OR SOLVOPHOBIC EFFECT OR SPECIFIC SOLVATION OR ?SOLVENT?(W)ADDUCT? OR ?SOLVENT?(A)ADDUCT? OR ?SOLVENT?(A)COMPOUND? OR ?SOLVENT?(1A)COMPOUND? OR SOLIDIFICATION+OLD,UF/CT OR "COCRYSTN." OR COCRYSTALLIZATION OR COCRYSTALL? OR SOLID(W)FORM? OR "SOLID-STATE"(W)FORM? OR SOLID(W)FORM? OR "POWDER X-RAY DIFFRACTOMETRY"+OLD,UF/CT OR POWDER X-RAY DIFFRACTION OR X-RAY POWDER DIFFRACTOMETRY OR X-RAY SPECTRA OR X-RAY SPECTRA/CT OR NOVEL(XA)FORM? OR (POLYMORPH? OR CRYSTALL? OR SOLID?(XA)MODIFICATION? OR SINGLE(W)CRYSTAL? OR CRYSTALS+UF/CT OR CRYSTALLOGRAPHY/CT OR SINGLE CRYSTAL? OR X-RAY SCATTERING/CT OR X-RAY SCATTERING OR ELECTRON? DIFFRACTION

User's Day 2004-2005

ricerca di records sul polimorfismo di un particolare API

=> s Lsel chem /prp (L) / and Qdef

and p/dt

User's Day 2004-2005ricerca di records anche orientati allo studio cristallografico di composti organici (es.APIs)

=> [Qdef and (organic or applied)/cc and (22 or 23 or 24 or 25 or 26 or 27 or 28 or 29 or 33 or 46 or

50 or 63 or 64 or 70 or 75)/cc] or [Qdef and (org or pia or 1 or 2)/cc and (75 or

63)/sx]and p/dt

User's Day 2004-2005

=> Qpoly

Marpat(Prev.)

Registry

Ifiudb


Ifiref

HCAPlus(PATIPC)

Wpindex(DCR)

Others

Wpids(FC-MC)

DUP. IDE.FSORT

Citations


(only subscribers)

La ricerca documentale diventa

specificatamente brevettuale

Ricerca dei codici

UN, NCL, ICC

User's Day 2004-2005(IFI)

• ricerca di records sul polimorfismo di un particolare API

=> fil Ifiudb

=> s (RN/urn,bi or Lname )(L) Qdef or (RN/urn,bi or Lname ) and [LCTsdef/BI or (00224

or 01402 or 04239)/un]

• ricerca di records sul polimorfismo di composti organici (es. APIs)

=> s (00224 or 01402 or 04239)/un and [(532?-570?)/ncl or (424? or 514?)/ncl] not (520? or 525? or 528?)/ncl

=> LIFI polycomposti organici e composti bioattivi

esclusi i polimeriPolimeri e resine

User's Day 2004-2005(Beilstein)

• ricerca di informazioni riguardanti la natura cristallina di un composto organico (per es. un API)

=> s BRN (o RN o “nome”/CN) and (CRYPH or CPT or CPD or CSYS or CSG)/FA => LCRY

• ricerca di una particolare informazione riguardante la natura cristallina di un particolare composto organico (per es. un API)

=> s BRN (o RN o nome/CN) and crystal structure determination/KW

=> LCRY

• ricerca del riferimento che ha originato l'indexing

=> sel LCRY 1- BABSAN => LSELCRY

=> fil BABS => LSELCRY /AN

User's Day 2006

• Composti inorganici e metallorganici• Potenziamento e razionalizzazione della Query• Miglioramento della modulazione• Superamento dei limiti del Sistema (uso dei Full-

text files dei patents)• Sviluppi della ricerca in IFIREF-IFIUDB• La nuova codifica Internazionale• I Codici giapponesi• Un protocollo di ricerca

User's Day 2006

• I composti inorganici che presentano polimorfismo sono indicizzati (CAS Registry No.) nelle loro forme polimorfiche

User's Day 2006

FeS2

– Pirite 1309-36-0– Marcassite 1317-66-4

TiO2

– Anatase 1317-79-0– Brookite 12188-41-9

CaCO3

– Calcite 13397-26-7– Aragonite 14791-73-2

User's Day 2006

• I composti organometallici che presentano diverse forme cristalline non sono indicizzati con diversi RNs per ciscuna forma

HCAplus

Potenziamento e razionalizzazione

della Query

HCAplus

• Lo studio della Indicizzazione ed il confronto con il Full Text dei Documenti trovati ha generato un potenziamento della Qdef.

• Si è resa necessaria la razionalizzazione e l’ottimizzazione di Qdef.

HCAplus• => act Qdef/q• QUE ABB=ON PLU=ON HYDRATES+UF,RT/CT OR HYDRATED SALTS OR SALT HYDRATES OR• "SOLID SOLUTIONS"+UF/CT OR "SOLUTIONS, SOLID"/CT OR MIXED CRYSTALS OR "SOLID SOLNS." OR "SUBSTITUTIONAL SOLID

SOLNS." OR MICROSTRUCTURE/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) IR SPECTRA"+UF/CT OR IR SPECTRA-CRYSTAL STRUCTURE RELATIONSHIP OR "CRYSTAL MORPHOLOGY"+ALL/CT OR CRYSTAL FACETS OR CRYSTAL HABIT OR CRYSTAL SHAPE OR CRYSTAL SYMMETRY OR MORPHOTROPY OR "SINGLE-CRYSTAL MORPHOL." OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) RAMAN SPECTRA"+ALL/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) NMR"+ALL/CT OR NMR-CRYSTAL STRUCTURE RELATIONSHIP "THERMOGRAVIMETRIC ANALYSIS"+UF,RT/CT

• OR "TG (THERMOGRAVIMETRY)" OR "TGA (THERMOGRAVIMETRIC ANALYSIS)" OR "THERMOGRAVIMETRY (TG)" OR "THERMAL ANALYSIS"+UF/CT OR THERMOMETRIC ANALYSIS OR CALORIMETRY+OLD,UF/CT OR "BATCH CALORIMETRY" OR "DIFFERENTIAL SCANNING CALORIMETRY"+OLD,UF,RT/CT OR "DSC (DIFFERENTIAL SCANNING CALORIMETRY)" OR "DIFFERENTIAL SCANNING CALORIMETRY (DSC)" OR "POLYMORPHISM (CRYSTAL)"+OLD,UF,NT,RT/CT OR POLYMORPHIC TRANSITION OR POLYSTRUCTURE/CT OR "AMORPHOUS STRUCTURE"+UF/CT OR CRYSTALLINITY+UF/CT OR CRYSTALLIZATION/CT OR CRYSTALS/CT OR CRYSTAL STRUCTURE/CT OR "CRYSTALLINITY (L) TRANSCRYSTALLINITY"+OLD,UF/CT OR TRANSCRYSTALLINITY/CT OR CRYST. TEXTURE OR CRYSTALLOG. TEXTURE OR CRYSTALLOGRAPHIC TEXTURE OR GRANULARITY OR POLE FIGURES OR TEXTURE/CT OR X-RAY DIFFRACTION/CT OR X-RAY DIFFRACTOMETRY/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) RAMAN SPECTRA"/CT OR "POLYMORPHISM (CRYSTAL) (L) DIMORPHISM"+OLD/CT OR "POLYMORPHISM (CRYSTAL) (L) ENANTIOTROPY"+ OLD/CT OR POLYMORPHISM (CRYSTAL) (L) ISODIMORPHISM"/CT OR "POLYMORPHISM (CRYSTAL) (L)MONOTROPY"+OLD/CT OR "POLYMORPHISM (CRYSTAL) (L) PSEUDOPOLYMORPHISM"+OLD,UF/CT

• OR "POLYMORPHISM(L)DIMORPHISM"/CT OR "POLYMORPHISM (CRYSTAL) (L) PSEUDOPOLYMORPHISM"/CT OR "STRUCTURAL PHASE TRANSITION"+OLD,UF/CT OR "POLYMORPHISM (CRYSTAL)"/CT OR CRYSTAL STRUCTURE TRANSITIONS OR CRYSTAL TRANSITIONS OR PHASE TRANSFORMATION OR POLYMORPHIC TRANSITION OR SOLID STATE PHASE TRANSITION OR SOLID-SOLID PHASE TRANSITION OR SOLID-STATE PHASE TRANSITION OR STRUCTURAL PHASE TRANSFORMATION OR STRUCTURAL TRANSITIONS OR POLYMORPHISM/CT OR "POLYMORPHISM (CRYSTAL)"/CT OR "POLYMORPHISM (CRYSTAL)"+OLD,UF,NT,RT/CT OR POLYMORPH? OR "CRYSTAL STRUCTURE"/CT OR CRYSTALLINITY+UF,RT/CT OR "CRYSTALLINITY (L) TRANSCRYSTALLINITY"/CT OR CRYSTALL? OR ALLOTROPY/CT OR "POLYMORPHISM (CRYSTAL)(L) ALLOTROPY"/CT OR ALLOTROP? OR AMORPHO? OR PSEUDOMORPHISM? OR SOLID(W)STATE? OR ?CRYSTALL? OR "X-RAY ANALYSIS" OR PARAMORPHISM OR CRYSTAL(W)MORPHOL? OR SOLVATES+NT1,RT/CT OR HYDRATE? OR SOLVAT? OR SOLVATION+NT1,UF/CT OR SOLVOPHOBIC EFFECT OR SPECIFIC SOLVATION OR ?SOLVENT?(W)ADDUCT? OR ?SOLVENT?(A)ADDUCT? OR ?SOLVENT?(A)COMPOUND? OR ?SOLVENT?(1A)COMPOUND? OR SOLIDIFICATION+OLD,UF/CT OR "COCRYSTN." OR COCRYSTALLIZATION OR COCRYSTALL? OR SOLID(W)FORM? OR "SOLID-STATE"(W)FORM? OR SOLID(W)FORM? OR "POWDER X-RAY DIFFRACTOMETRY"+OLD,UF/CT OR POWDER X-RAY DIFFRACTION OR X-RAY POWDER DIFFRACTOMETRY OR X-RAY SPECTRA OR X-RAY SPECTRA/CT OR NOVEL(XA)FORM? OR (POLYMORPH? OR CRYSTALL? OR SOLID?(XA)MODIFICATION? OR SINGLE(W)CRYSTAL? OR CRYSTALS+UF/CT OR CRYSTALLOGRAPHY/CT OR SINGLE CRYSTAL? OR X-RAY SCATTERING/CT OR X-RAY SCATTERING OR ELECTRON? DIFFRACTION

HCAplus

• => act Qdef/q• X-RAY?/CT OR X-RAY DIFFRACT? OR X-IRRADN. OR X-RADIATION OR "X-RAY MICROSCOPY (L) SCANNING"+OLD/CT OR SCANNING(A)X-

RAY(A)MICROSCOPY OR "X-RAY ANALYSIS" OR "POWDER X-RAY DIFFRACTOMETRY"+OLD/CT OR POWDER(A)X-RAY(A)DIFFRACT? OR• X-RAY SPECTRA OR X-RAY SCATTERING OR XRDP OR XRPD OR XPRD OR ELECTRON?(XA)DIFFRACTION? OR NEUTRON SCATTERING (L) SMALL-

ANGLE"+OLD/CT OR NEUTRON SMALL-ANGLE SCATTERING OR SANS OR

• "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) IR SPECTRA"/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) RAMAN SPECTRA"+ALL/CT OR "CRYSTAL STRUCTURE-PROPERTY RELATIONSHIP (L) NMR"+ALL/CT OR NMR-CRYSTAL STRUCTURE RELATIONSHIP OR

• CRYSTAL? (xA)(FORM? OR FACET# OR HABIT OR SHAPE OR SYMMETRY OR STRUCTURE(W)TRANSITION# OR TRANSITION? OR MODIFICATION# OR MORPHOL?) OR MORPHOTROPY OR "SINGLE-CRYSTAL MORPHOL." OR CRYSTALLIZATION OR CRYSTAL# OR CRYSTAL STRUCTURE OR "CRYSTALLINITY (L) TRANSCRYSTALLINITY"+OLD OR CRYSTALLINITY+RT OR "CRYSTAL MORPHOLOGY"+ALL OR CRYSTALLOGRAPHY)/CT OR

• (CRYST. OR CRYSTALLOG. OR CRYSTALLOGRAPHIC)(W)TEXTURE OR TEXTURE/CT OR GRANULARITY OR POLE FIGURES OR SOLIDIFICATION+OLD/CT OR "COCRYSTN." OR COCRYSTALLIZATION OR ?CRYSTALL? OR SINGLE(W)CRYSTAL? OR

• • ("THERMOGRAVIMETRIC ANALYSIS"+RT OR "THERMAL ANALYSIS" OR CALORIMETRY+OLD OR "DIFFERENTIAL SCANNING CALORIMETRY"+OLD,RT

OR "SCANNING PROBE MICROSCOPY (L) THERMAL"+OLD) /CT OR "TG (THERMOGRAVIMETRY)" OR "TGA (THERMOGRAVIMETRIC ANALYSIS)" OR "THERMOGRAVIMETRY (TG)" OR "BATCH CALORIMETRY" OR "DSC (DIFFERENTIAL SCANNING CALORIMETRY)" OR "DIFFERENTIAL SCANNING CALORIMETRY (DSC)" OR DSC OR THERM?(XA)?ANAL? OR THERMOMICROSCOP? OR SCANNING THERMAL MICROSCOPY OR

• "POLYMORPHISM (CRYSTAL)"+OLD,NT,RT OR "AMORPHOUS STRUCTURE" OR "POLYMORPHISM (CRYSTAL) (L) DIMORPHISM"+OLD OR "POLYMORPHISM (CRYSTAL) (L) ENANTIOTROPY"+OLD OR "POLYMORPHISM (CRYSTAL) (L) ISODIMORPHISM" OR "POLYMORPHISM (CRYSTAL) (L) MONOTROPY"+OLD OR "POLYMORPHISM (CRYSTAL) (L) PSEUDOPOLYMORPHISM" OR "POLYMORPHISM (L) DIMORPHISM" OR "POLYMORPHISM (CRYSTAL) (L) PSEUDOPOLYMORPHISM" OR "STRUCTURAL PHASE TRANSITION"+OLD)/CT OR "POLYMORPHISM (CRYSTAL)" OR POLYMORPH? OR POLYSTRUCTUR? OR ALLOTROP? OR ?AMORPH? OR PSEUDOMORPHISM? OR PARAMORPHISM OR PSEUDOPOLYMORPH?

• (SOLVATES+NT1,RT OR SOLVATION+NT1 OR HYDRATES+RT)/CT OR HYDRATE? OR SOLVAT? OR OLVOPHOBIC EFFECT OR ?SOLVENT?(A)(ADDUCT? OR COMPLEX) OR ?SOLVENT?(1A)COMPOUND? OR

• • (SOLID-SOLID OR SOLID-STATE)(XA)PHASE TRANSITION? OR STRUCTURAL PHASE TRANSFORMATION# OR STRUCTURAL TRANSITIONS OR (SOLID OR

"SOLID-STATE")(W)FORM? OR NOVEL(XA)FORM? OR SOLID? OR SOLID(W)STATE? OR "SOLID SOLUTIONS"/CT OR "SOLUTIONS, SOLID"/CT OR MIXED CRYSTAL# OR "SOLID SOLNS." OR "SUBSTITUTIONAL SOLID SOLNS.“ OR MICROSTRUCTURE/CT OR SOLID STATE PHASE TRANSITION? OR

• GLASS?(XA)(STRUCTUR? OR FORM?) OR• • MOLECUL?(XW)STRUCT? OR (MOLECULAR STRUCTURE-BIOLOGICAL ACTIVITY RELATIONSHIP OR STRUCTURE-ACTIVITY RELATIONSHIP OR

STRUCTURE-ACTIVITY RELATIO? OR MOLECULAR STRUCTURE-BIOLOGICAL ACTIVITY RELATIONSHIPS)/CT

HCAPlusricerca di records sul polimorfismo di un particolare API=> fil reg......

=> LAPI

=> sel LAPI RN => Lsel RN

=> sel LAPI name => Lsel Name

=> fil hcaplus

=> s (Lsel RN /prp or Lsel Name )(L)/and Qdef

=> LPoly1 and p/dt

=> LPolypat1

HCAplus

=> (Lsel RN / prp or Lsel name )(L)Qdef => LPoly1

=> (Lsel RN / prp or Lsel name ) and Qdef not LPoly1 => LPoly

2

=> (Lsel RN or Lsel name ) and Qdef not (LPoly

1 or LPoly2) => LPoly

3

HCAplus

Miglioramento della modulazione

HCAplus

• Il potenziamento della Qdef porta ad un incremento del rumore; è quindi necessario un miglioramento della modulazione.

HCAPlus

• Lo studio del potenziamento di Qdef ha permesso l'individuazione di ulteriori cross sections utili alla modulazione della Qdef stessa.

• Le nuove cross sections sono: 1 e 2

HCAplus

ricerca di records anche orientati allo studio cristallografico di composti organici (es.APIs)

=> s [Qdef and (organic or applied)/cc and

(22 or 23 or 24 or 25 or 26 or 27 or 28 or 29 or 33 or 46 or 50 or 63 or 64 or 70 or 75)/cc]

or [Qdef and (org or pia 1 or 2)/cc and (75 or 63 or 1

or 2)/sx]and p/dt

HCAplus

Superamento dei limiti del Sistema

User’s Day 2005

• La policy di indicizzazione di CAS• L'errore nella indicizzazione

Per trovare i records corrispondenti a lavori in cui struttura cristallina e/o polimorfismo non sono indicizzati, bisogna utilizzare

=> Lsel chem and Qdef

=> L2

=> L2 not LPoly1

=> L3

da valutare

HCAplus – Full-text Files

Per il recupero di documenti brevettuali i cui records in HCAplus non contengono alcuna keywords appartenente a Qdef si utilizzano, ove possibile, i Full-Text Patent Files, partendo dalla ricerca condotta in HCAplus.

Il presupposto a tale strategia è che in un testo completo, se viene fatto riferimento al polimorfismo, almeno una keyword riguardante questo “concetto” ci deve essere.


=> Lsel chem and p/dt not (LPoly

1 or LPoly2 or LPoly

3)

=> LPoly4

=> sel LPoly4 pn with “PC” => L sel

PC(PC = WO, EP, US, GB, FR(*))

=> File “Full Text” (**)(PCTFULL, EPFULL, USPATFULL, GBFULL, FRFULL(*))

=> L sel PC and Qfulldef => Lfullpat

=> d 1- kwic=10(*)per FRFULL la ricerca è possibile utilizzando i termini in lingua inglese, nel titolo e nell’abstract dal 1996(**)nei BI è permessa la SLART


• Qfulldef altro non è che Qdef,adattata ad una ricerca efficace nel Basic Index di un file full-text, a cui sono stati tolti termini troppo generici come “solid” o “crystal?” e tutti i controlled terms

HCAplus – Full-text Files• => act Qfulldef

X-RAY SCATTERING OR XRDP OR XRPD OR XPRD OR ELECTRON?(XA)DIFFRACTION? OR NEUTRON SMALL-ANGLE SCATTERING OR SANS OR NMR-CRYSTAL STRUCTURE RELATIONSHIP OR

CRYSTAL? (xA)(FORM? OR FACET# OR HABIT OR SHAPE OR SYMMETRY OR STRUCTURE(W)TRANSITION# OR TRANSITION? OR MODIFICATION# OR MORPHOL?) OR MORPHOTROPY OR "SINGLE-CRYSTAL MORPHOL." OR GRANULARITY OR POLE FIGURES OR "COCRYSTN." OR COCRYSTALLIZATION OR SINGLE(W)CRYSTAL? OR

"TG (THERMOGRAVIMETRY)" OR "TGA (THERMOGRAVIMETRIC ANALYSIS)" OR "THERMOGRAVIMETRY (TG)" OR "BATCH CALORIMETRY" OR "DSC (DIFFERENTIAL SCANNING CALORIMETRY)" OR "DIFFERENTIAL SCANNING CALORIMETRY (DSC)" OR DSC OR THERM?(XA)?ANAL? OR THERMOMICROSCOP? OR SCANNING THERMAL MICROSCOPY OR

"POLYMORPHISM (CRYSTAL)" OR POLYMORPH? OR POLYSTRUCTUR? OR ALLOTROP? OR ?AMORPH? OR PSEUDOMORPHISM? OR PARAMORPHISM OR PSEUDOPOLYMORPH?

HYDRATE? OR SOLVAT? OR SOLVOPHOBIC EFFECT OR ?SOLVENT?(A)ADDUCT? OR ?SOLVENT?(1A)COMPOUND? OR

(SOLID-SOLID OR SOLID-STATE)(XA)PHASE TRANSITION? OR STRUCTURAL PHASE TRANSFORMATION# OR STRUCTURAL TRANSITIONS OR (SOLID OR "SOLID-STATE")(W)FORM? OR NOVEL(XA)FORM? OR SOLID(W)STATE? OR

MIXED CRYSTAL# OR "SOLID SOLNS." OR "SUBSTITUTIONAL SOLID SOLNS."OR SOLID STATE PHASE TRANSITION? OR GLASS?(XA)(STRUCTUR? OR FORM?) OR

MOLECUL?(XW)STRUCT?

IFIREF – IFIUDB

Sviluppi della ricerca in IFIREF-IFIUDB

IFIREF – IFIUDB

• Rispetto al preliminare lavoro del 2004, il potenziamento della Qdef, con la introduzione di nuove keywords, ha imposto una revisione ed un aggiornamento della strategia di ricerca in IFIREF-IFIUDB

IFIREF – IFIUDB

• IFIREF è la Banca Dati contenente i Codici di Classificazione dell’ USPTO

IFIREF – IFIUDBIFIREF e costituito da quattro File Segments:

• Classification Records contenenti i codici NCL ed un “Dictionary Index” del Manuale di Classificazione USPTO, delle materie e tecnologie classificate.

• Compound Records contenenti i codici Uniterms (UNcmp) identificativi di specifiche sostanze chimiche strutturabili.

• Fragment Records contenenti i codici Uniterms (“Fragments” corrispondenti ad atomi, gruppi funzionali e anelli) in grado di rappresentare strutture Markush, composti generici e composti specifici a cui non corrisponde un UNcmp.

• General Records contenenti i codici Uniterms (UNprp) descrittori di proprietà, usi, processi, reazioni, polimeri, classi di polimeri, sostanze naturali, miscele commerciali, classi di composti e composti non strutturabili.

IFIREF – IFIUDB

• Classification Record

AN 203982 IFIREFNCL 378073000 LV 5CT Crystalography

378000000 1 (IPC G01N, A61B, H05G, G21K, H01J) X-RAY OR GAMMA RAY SYSTEMS OR DEVICES

378001000 2 SPECIFIC APPLICATION378070000 3 Diffraction, reflection, or scattering analysis378071000 4 Diffractometry378073000 5 Crystalography

IFIREF – IFIUDB

• General Record

AN 224 IFIREFUN 00224CT AMORPHOUSUF NONCRYSTALLINEBT PHYSICAL PROPERTIES 04044RT CRYSTAL STRUCTURE 01402; DIAMOND-LIKE CARBON

10439-R; DOSAGE 01773; GLASS TRANSITION TEMPERATURE 02456; GLASSY ALLOYS 07934-R; ISOMORPHISM 02977;

MORPHOLOGY 03469; PHASE CHANGE/RECORDING/ 09980; POLYMORPHISM 04239

IFIREF – IFIUDB

• Indagine più approfondita del contributo degli Uniterms già utilizzati

(00224; 01402; 04239)

• Individuazione di Uniterms e di NCLs legati all’utilizzo di nuovi “Controlled Terms” da HCAplus

IFIREF – IFIUDB• Indagine più approfondita del contributo degli

Uniterms già utilizzati• Il Basic Index di IFIREF contiene i BT, CT, NT, RT

ed UF corrispondenti agli Uniterm => fil ifiref

=> “uniterm” not “uniterm”/un

“Uniterm” = 00224; 01402; 04239 => L => d allpermette di trovare i records di IFIREF dove esso è BT,NT,RT o UF di altri UNs

IFIREF – IFIUDB• 09980 PHASE CHANGE/RECORDING/• 04239 POLYMORPHISM• 04044 PHYSICAL PROPERTIES• 03469 MORPHOLOGY• 02977 ISOMORPHISM• 02456 GLASS TRANSITION TEMPERATURE• 01402 CRYSTAL STRUCTURE• 09253 POLYALLOMERS• 07700 INTERCALATION COMPOUNDS• 05345 STRUCTURES• 05139 SOLVATES• 04188 POLYCRYSTALLINE• 03366 MICROCRYSTALS• 03094 LATTICES• 02935 INTERSTITIAL COMPOUNDS• 02845 INCLUSION COMPOUNDS• 01406 CRYSTALS/SINGLE/• 01405 CRYSTALS• 01403 CRYSTAL, CRYSTALLINE, CRYSTALLINITY/STO/• 01095 CLATHRATES• 00224 AMORPHOUS• 09191 RESTRICTION FRAGMENT LENGTH POLYMORPHISM• 02312 FORMS

IFIREF – IFIUDB

• Individuazione di UNs e di NCLs legati all’utilizzo di nuovi Controlled Terms da HCAplus

IFIREF – IFIUDB

X- R

ay spe

ctra

0

10

20

30

40

50

60

%

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18

Controlled term

Polym

orph

ism

(Cry

stal)

Cryst

al M

orph

ology

Cryst

al Stru

ctur

eSolv

ates

X-Ray

Diff

ract

omet

ry

Mol

ecula

r stru

ctur

e

Pseu

dom

orph

ism

Amor

phou

s Stru

ctur

e

X-Ray

Diff

ract

ion

Powde

r X-R

ay D

iffra

ctom

etry

Polym

orph

ism

Differe

ntial

Sca

nning

Cal

orim

etry

Isom

orph

ism

Diffrac

tom

etry

Cryst

als

Cryst

allin

ity

X-Ray

Spe

ctra

Hydra

tes

IFIREF – IFIUDBIl Basic Index di IFIREF contiene controlled words e controlled terms relativo agli UNs ed ai NCLs=> fil ifiref=> “controlled term”HCAplus/BI and Class,General/FS

“controlled terms” : solvates, hydrate(s), crystallinity, crystal morphology, X-Ray diffractometry, X-ray diffraction, Differential scanning calorimetry, Powder X-Ray diffractometry, Crystals, Isomorphism, Pseudomorphism

=> L=> sel L ncl,un

=> d

IFIREF – IFIUDB

• Gli Uniterms corrispondenti ad alcuni CTsHCAplus (crystallinity, solvates, isomorphism, crystals) sono già stati trovati con l’approfondimento della ricerca condotto su gli UNs già conosciuti.

• La ricerca ha preso in considerazione i NCLs ed gli UNs corrispondenti agli altri CTsHCAplus.

IFIREF – IFIUDB• UNs selezionati utilizzando i nuovi CTsHCAplus

00087 adduct02721 hydrates08956 differential scanning calorimetry

• NCLs selezionati utilizzando i nuovi CTsHCAplus

423329100(*) x-ray diffraction pattern423718000(*) structure defined x-ray diffraction pattern((*)principalmente utilizzati per i composti inorganici, nella petrolchimica e combustibili)

378071000 diffraction378073000 crystallography378075000 powder technique

IFIREF – IFIUDB

Anche per i nuovi UNs si conduce l’analisi in Basic Index

=> fil ifiref => “uniterm” not “uniterm”/un

“Uniterm” = 00087; 02721; 08956 => L => d all

Non si evidenziano ulteriori codici

IFIREF – IFIUDBLa stringa di ricerca di records sul polimorfismo di un particolare API diventa quindi

=> fil Ifiudb

=> (RN/urn,bi or Lname )(L) Qdef or (RN/urn,bi or Lname ) and [LCTsdef/BI or (00224 or

01402 or 01403 or 01405 or 01406 or 02312 or 02721 or 05139 or 03094 or 04239 or 02977 or 02845)/un or (423329100 or 423718000 or 378071000 or 378073000 or 378075000)/ncl ]

La ricerca di records sul polimorfismo di composti organici (es. APIs)

=> [(00224 or 01402 or 01403 or 01405 or 01406 or 02312 or 02721 or 05139 or 03094 or 04239 or 02977 or 02845)/un or (423329100 or 423718000 or 378071000 or 378073000 or 378075000)/ncl ] and

[(532? or 534? or 536? or 540? or 544? or 546? or 548? or 552? or 554? or 556? or 558? or 560? or 562? or 564? or 568? or 570?)/ncl or (424? or 514?)/ncl] not (520? or 525? or 528?)/ncl

=> LIFI poly23500

records

IFI - HCAplus

• Lo studio dei codici US proiettato su Chemical Abstracts ha permesso di individuare ulteriori sezioni precedentemente trascurate:

• 17 FOOD AND FEED CHEMISTRY, 1982 TO PRESENT• 21 GENERAL ORGANIC CHEMISTRY, 1967 TO

PRESENT• 45 INDUSTRIAL ORGANIC CHEMICALS, LEATHER,

FATS, AND WAXES, 1982 TO PRESENT• 48 UNIT OPERATIONS AND PROCESSES, 1967 TO

PRESENT• 80 ORGANIC ANALYTICAL CHEMISTRY, 1967 TO

PRESENT

HCAplusricerca di records anche orientati allo studio cristallografico di

composti organici (es.APIs) aggiornata è

=> s [Qdef and (organic or applied)/cc

and

(17 or 21 or 22 or 23 or 24 or 25 or 26 or 27 or 28 or 29 or 33 or 45 or 46 or 48 or 50 or 63 or 64 or 70 or 75 or 80)/cc]

or

[Qdef and (org or pia or 1 or 2)/cc and (75 or 63 or 1 or 2)/sx]

=> Qpoly

and p/dt

=> Qpolypat

La nuova codifica Internazionale

User’s Day 2006

User’s Day 2006

• Non essendo più utilizzabile PATIPC, che non verrà aggiornato con la Versione 8 della Classificazione Internazionale, l’indagine è stata condotta via Web ed i risultati verificati in STN verso un campione di 11 multirecord Patent Families e 91 records individuali (853 brevetti in HCAplus) riguardanti il polimorfismo dei composti organici.

• Non sono stati introdotti codici direttamente collegabili al polimorfismo o ai concetti ad esso connessi.

User’s Day 2006

• Il potenziamento della Qdef ed il miglioramento della modulazione, rispetto a quanto riportato nel 2004, hanno messo in evidenza un uso limitato ma preciso dei seguenti ICs

• G01N023-20 Investigating or analysing materials by using diffraction of the radiation, e.g. for investigating crystal structure

• C30B SINGLE-CRYSTAL GROWTH UNIDIRECTIONAL SOLIDIFICATIONSINGLE CRYSTALS OR HOMOGENEOUS POLYCRYSTALLINE MATERIAL WITH DEFINED STRUCTURE

HCAplus

I Codici giapponesi

HCAplus

• Dal 2004 è presente in CAplus un thesaurus dei codici brevettuali giapponesi (FTERM)

HCAplus

=> sel LPolypat pn with "jp”

=> Lsel SEL L14 1- PN WITH "JP" : 62 TERMS

=> s Lsel 51 L jp pat

HCAplus• => e 4C086/GA15/fterm• E# FREQUENCY AT TERM• -- --------- -- ----• E252 363 3 4C086/GA13/FTERM• E253 125 2 4C086/GA14/FTERM• E254 195 2 --> 4C086/GA15/FTERM• E255 1039 2 4C086/GA16/FTERM• E256 299 2 4C086/GA17/FTERM• E257 24 2 4C086/GA20/FTERM• E258 2 21 4C086/HA00/FTERM• E259 148 3 4C086/HA01/FTERM• E260 149 2 4C086/HA02/FTERM• E261 164 3 4C086/HA03/FTERM• E262 230 2 4C086/HA04/FTERM• E263 86 2 4C086/HA05/FTERM

• => e e254+all• E264 0 BT5 FTCLA/FTERM• FTERM CLASSIFICATION OF THE JAPANESE PATENT OFFICE• E265 0 BT4 4/FTERM• . Chemistry• E266 55727 BT3 4C/FTERM• . . Medical Science• E267 17202 BT2 4C086/FTERM• . . . Medicines that contain other organic and • inorganic compounds• E268 0 BT1 4C086/GA00/FTERM• . . . . CHARACTERISTIC CHEMICAL STRUCTURE OF ORGANIC • ACTIVE COMPONENTS• E269 195 --> 4C086/GA15/FTERM• . . . . . Crystal system

HCAplus

=> s L jp pat and 4C086/GA15/FTERM

=> L Poly jp code jp pat 12 L’ poly jp code

=> s (polymorph? or crystal(w)(structure? or morpholog?) or solvate? or hydrate?) and 4!!!!/GA15/FTERM

=> L Poly jp code 152 L

HCAplus

0

10

20

30

40

50

60

70

80

cotrolled terms

4c086/ga15 FTERM

HCAplus

• ricerca per trovare i records contenenti patents giapponesi relativi al polimorfismo di composti organici (dopo il 2004)

=> s Qpolypat and 4C086/GA15/FTERM

User’s Day 2006

Un protocollo di ricerca

User’s Day 2006

• Strategia di ricerca completa in STN per il recupero di “prior art” sul polimorfismo di un composto o una famiglia di composti organici

User’s Day 2006• => File Registry Ricerca del composto, suoi Sali, solvati e idrati => LRN

• => sel LRN RN => Lsel RN

• => sel LRN name => Lsel Name

• => File HCAplus• => act Qdef

• => s (Lsel RN /prp or Lsel Name )(L)Qdef => L1• => s (Lsel RN or Lsel ) and Qdef not L1 => L2• => s Lsel RN and Beilstein/LC => L3 (se L3 > 0)• => File Beilstein• => s L3 (o BRN o “nome”/CN) and (CRYPH or CPT or CPD or CSYS or CSG)/FA• => d (biblio) => File HCAplus • => ricerca dei dati bibliografici => LBei

Caplus • => File Rdisclosure• => s Lsel Name and (polymorph? or crystal(w)(structure? or morpholog?) or DSC or

differential scanning calorimetry or thermal analysis => LRdisc

• => File IFIUDB• => s (RN/urn,bi or Lname )(L) Qdef or (RN/urn,bi or Lname ) and [LCTs

def/BI or (00224 or 01402 or 01403 or 01405 or 01406 or 02312 or 02721 or 05139 or 03094 or 04239 or 02977 or 02845)/un or (423329100 or 423718000 or 378071000 or 378073000 or 378075000)/ncl ] => LIFI

User’s Day 2006• => sel LIFI pn => Lsel

IFI

• => File HCAplus => L5

• => s (Lsel RN or Lsel Name ) not (L1 or L2 or LBeiCaplus or L5 ) => L6

• => sel L6 pn with “WO” => LWO

• => sel L6 pn with “EP” => LEP

• => sel L6 pn with “US” => LUS

• => File PCTFULL => LWO and Qfulldef => L7 => d kwic=10 => …L7’ => sel L7’ pn =>L8

• => File EPFULL => LEP and Qfulldef => L8 => d kwic=10 => …L8’ => sel L8’ pn

• =>L9

• => File USPATFULL => LUS and Qfulldef => L10 => d kwic=10 => …L10’ => sel L7’ pn =>L10

• => File HCAplus

• => s L6 not (L8 or L9 or L10) => L11 (patent and scientific literature)

• => s L11 and review/dt => L12 (da valutare) (Analytical Profiles of Drug Substances)

• => s L11 not L12 => L13

• => s L13 and (?cyclodextr? or (inclusion or insertion)(xw)(adduct? or complex?))=> L14

• => L13 not L14 =>L15

User’s Day 2006• Se L15 contiene ancora un numero troppo grande di risposte può essere modulato con le sezioni

=> s [L15 and (organic or applied)/cc

and

(17 or 21 or 22 or 23 or 24 or 25 or 26 or 27 or 28 or 29 or 33 or 45 or 46 or 48 or 50 or 63 or 64 or 70 or 75

or 80)/cc]

or

[L15 and (org or pia or 1 or 2)/cc and (75 or 63 or 1 or 2)/sx] => L16 (da valutare)

User’s Day 2006• Una buona ricerca sul polimorfismo non può prescindere da una altrettanto buona ricerca sul prodotto (API) e sulle sue preparazioni.

• Nella parte sperimentale di molti brevetti sono riportate le condizioni di cristallizzazione del prodotto stesso senza che ne venga caratterizzata la forma cristallina.

• In molti casi queste informazioni “anticipano” “inconsapevolmente” le forme cristalline, quindi i polimorfi, nonché la loro preparazione.

User’s Day 2006• Una buona ricerca sul polimorfismo non può

prescindere da una altrettanto buona ricerca sulle formulazioni del prodotto (API).

• Spesso in diversi lavori di formulazione sono riportate informazioni sul cambiamento di cristallinità in seguito alla formulazione.





12.30 - 14.00 Lunch12.30 - 14.00 Lunch 14.00 - 14.30 Registry-CAPlus-Marpat: un caso reale Dr. P. Gnemmi Moradei







12.30 - 14.00 Lunch 14.00 - 14.30 14.00 - 14.30 Registry-CAPlus-Marpat: un caso realeRegistry-CAPlus-Marpat: un caso reale Dr. P. Gnemmi MoradeiDr. P. Gnemmi Moradei



STN Users’ DayBologna, 6 Dicembre 2006

Idee per impostare e gestire una ricerca in Registry-CAPlus-Marpat

Un caso reale

QUESITO:

stabilire se è noto il derivato dell’acido idrossammicouso terapeutico: agente antitumorale

Altre informazioni:sono già noti alcuni derivati bifenilici dell’acido idrossammico con attività antitumorale.

In particolare è già noto:

N-idrossi-5-[1,1’-bifenile]-2,4-Pentadienammide

2-Propenamide, 3-[1,1'-biphenyl]-4-yl-N-hydroxy-, (2E)-

Ph

NH

O

OHE

RN=191228-41-8

Un caso reale

ACCESSION NUMBER: 1998:430728 HCAPLUS Full-textDOCUMENT NUMBER: 129:148826TITLE: Preparation of hydroxamic acids and their use as antitumor agents

PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- -------- JP--10182583 A2 19980707 1996JP-0345797 19961225GRAPHIC IMAGE:

Z2 ACONHOH

1

R

R I

ABSTRACT: Hydroxamic acids I [A = CH2CH2, CH:CH, C.tplbond.C; R1, R2 = H, NH2, NO2, OH, halo, C1-4 alkyl, C1-4 alkoxy, C1-4 (di)alkylamino, C1-4 alkylthio; Z = bond, CO, NHCO, CH2; the bond A is at meta or para position against the terminal benzene ring] and their pharmacol. acceptable salts are prepared.Amidation of 3-[4-(N,N-dimethyl)amino]benzoylcinnamic acid with H2NOH.HCl gave the corresponding hydroxamic acid with 14% yield, which at 1 M induced differentiation of A2780 cell.

http://chemport.fiz-karlsruhe.de/cgi-bin/ex_sdcgi?wwu1SNfg@S7KNTyOimo6Z7IBOgjQwpaTCuzNfGqv53mSfSHj0vtfQjC3vwjCEbav4Y2GhdgkJk5GJgrsRHbML7oiPdLs2RaheaMVSj2efGUzs9q_0fTx_Ncc7NrvClxJew8kpd3ku8j6p7JNSyo14NlMQHzxEMkTsZzfIjmw2cdBPiZfgk1aOB9BYouksNLdYZ

CC

CC

C

C

CC

CC

C

C

CH CH

C

O

NH O

2-4

Un caso reale

Altre informazioni:

- è importante che ci siano almeno due doppi legami coniugati (da 2 a 4, in particolare due)- non sono ammesse sostituzioni sulla catena insatura con doppi legami coniugati- il sostituente bifenilico deve essere necessariamente presente e può anche essere sostituito- oltre all’acido sono di interesse anche eventuali sali o esteri

Sono di interesse solo le strutture che contengano il bifenile e una catena coniugata contenente almeno due doppi legami.

Una ricerca preliminare effettuata in Registry non ha consentito di individuare alcuna struttura con le caratteristiche descritte.La richiesta è per una ricerca più approfondita, soprattutto tra le strutture Markush

Considerazioni preliminari

SCOPO: elaborare una strategia di ricerca in MARPAT

stabilire se la struttura di interesse rientra tra le sostanze profetiche descritte da una struttura Markush

[non indicizzate tramite RNs in CAPlus e non indicizzate in Registry (se non già presenti)]

nei brevetti contenenti strutture Markush deve essere presente almeno un esempio relativo ad uno specifico

composto descritto dalla struttura generica

[indicizzato in CAPlus tramite RN]

IDEA BASE:

cercare di stabilire il miglior compromesso tra la necessità di impostare una buona strategia, la più completa possibile,

e contemporaneamente contenere il numero dei risultati che si ottengono

OBIETTIVO:

Considerazioni preliminari

Schema generale della ricerca REGISTRY-HCAPLUS-MARPAT

Selezionare una ampia classe di composti contenenti gli ASPETTI STRUTTURALI PRINCIPALI del composto di

interesse

REGISTRY:

Cercare il set di strutture, eventualmente limitandolo introducendo anche il concetto dell’uso terapeutico, e

isolare il set di brevetti presenti in Marpat

HCAPLUS:

Il set di brevetti isolato in HCAPlus costituisce l’insieme nel quale effettuare, in subset, la ricerca per struttura in

Marpat

MARPAT:

REGISTRY

Selezionare una ampia classe di composti contenenti gli ASPETTI STRUTTURALI PRINCIPALI del composto di interesse

CC

CC

C

C

CC

CC

C

C

CH CH

C

O

NH O

2-4

- almeno due doppi legami coniugati (da 2 a 4, in particolare due)- non sono ammesse sostituzioni sulla catena insatura- il sostituente bifenilico può anche essere sostituito- oltre all’acido sono di interesse anche eventuali sali o esteri

REGISTRY

Ricerca preliminare ampia per decidere come selezionare la famiglia degli analoghi strutturali in Registry

Cb

Ak C

O

NO

- Ak, che congiunge Cb alla funzione idrossammica, è una catena da 4 a 8 C, lineare, insatura e con connettività esatta uguale a 2 (per non consentire né ramificazioni né altro tipo di sostituzione sulla catena insatura)

- tutti i legami della funzione idrossammica sono ring/chain

Si sceglie di incominciare da una struttura di questo tipo per indagare in Registry anche un altro aspetto:

i composti di interesse potrebbero essere indicizzati come

sali ciclici

[la funzione idrossammica ha note proprietà chelanti]

REGISTRY

Uploading C:\Programmi\STN\Queries\str1.str

chain nodes :1 2 ring/chain nodes :3 4 5 6 chain bonds :1-2 2-3 ring/chain bonds :3-4 3-5 5-6 exact/norm bonds :1-2 2-3 3-4 3-5 5-6

Connectivity :2:2 E exact RC ring/chain Generic attributes :2: Type of chain : Linear Saturation : Unsaturated Element Count :Node 2: Unlimited C,C4-8s L14 ful

L17 409176 SEA SSS FUL L14 EXTENDCANDIDATE STRUCTURE SEARCH COMPLETED - 409176 TO ITERATE100.0% PROCESSED 409176 ITERATIONS ( 1293 INCOMPLETE) 1405 ANSWERSSEARCH TIME: 00.00.09L18 1405 SEA SSS FUL L14

REGISTRY

=> d scan

Me PhCHCHCHCHCH2CN

OHOPhN

H

O

HOEE

(CH2)8Me C NH

O

OH

Ak saturo

Me

Me

ClNH

O

N

N

HO

NH

O

HO

HO

HS

S

R

Ak saturo, ramificato, sostituito da eteroatomi

=> s L18/completeL19 112 L18/COMPLETE=> s L19 and m/rel 1699155 M/RELL20 1 L19 AND M/REL

ITERATION INCOMPLETE ITERATION INCOMPLETE

REGISTRY

Ph

Ph

Ph

Ph CH CH CHO

N

CH

Cu

OO

O

N

CHCHCHCH

2+

--

=> d scan

in Marpat non si possono cercare i legami ring/chain

la eventuale ricerca dei Sali Ciclici va trattata separatamente

REGISTRY

Uploading C:\Programmi\STN\Queries\str2.str

chain nodes :1 2 3 4 5 6 chain bonds :1-2 2-3 3-4 3-5 5-6 exact/norm bonds :1-2 2-3 3-4 3-5 exact bonds :5-6

Connectivity :2:2 E exact RC ring/chain Generic attributes :2: Type of chain : Linear Saturation : Unsaturated Element Count :Node 2: Limited C,C4-8

=> s L29 ful L30 122814 SEA SSS FUL L29 EXTENDCANDIDATE STRUCTURE SEARCH COMPLETED - 122814 TO ITERATE100.0% PROCESSED 122814 ITERATIONS ( 1245 INCOMPLETE) 1312 ANSWERSL31 1312 SEA SSS FUL L29 (contro 1405)=> s L31/completeL32 67 L31/COMPLETE (contro 122)

REGISTRY

=> s L29 ful L30 122814 SEA SSS FUL L29 EXTENDCANDIDATE STRUCTURE SEARCH COMPLETED - 122814 TO ITERATE100.0% PROCESSED 122814 ITERATIONS ( 1245 INCOMPLETE) 1312 ANSWERSL31 1312 SEA SSS FUL L29 (contro 1405 L18)=> s L31/completeL32 67 L31/COMPLETE (contro 122 L19)

=> s L19 not L32L33 45 L19 NOT L32

Me

OMeBr

N

O

Z

MeMe

Me

OMe

OH

N

O

H

H

ER RR

R

S

=> d scan

C’è qualcosa che non va con Ak anche tra le strutture /COMPLETE !!

REGISTRY

Nell’ambito della famiglia degli analoghi strutturali in Registry tentiamo di isolare quelli

strutturalmente più vicini al composto di interesse

Set base di strutture in Registry:

Cb

Ak

O

NH OL30 122814 S L29 FUL EXTEND

L31 1312 S L29 FUL

=> s L31 and BIPHENYL 451935 BIPHENYLL34 10 L31 AND BIPHENYL

=> D SCAN NESSUNA STRUTTURA INTERESSANTE

=> S L31 AND PENTADIENAMIDE 2539 PENTADIENAMIDEL35 18 L31 AND PENTADIENAMIDE

=> D SCAN ALCUNE STRUTTURE INTERESSANTI

REGISTRY

PhCHCHCHCHCNH

O

HOPhNH

O

HOEE

Me2N

CH CH CH CH C NH

O

OH

Me2N

NH

O

OHE E

Cl

NH

O

OHE E

Ad es.:

=> S L31 and C H N O/ELF 8064414 C H N O/ELFL36 908 L31 AND C H N O/ELF=> S L36 AND 2/O(P)1/N 5884777 2/O 5286019 1/N 1043485 2/O(P)1/NL37 19 L36 AND 2/O(P)1/N

=> D SCAN ALCUNE STRUTTURE INTERESSANTI

REGISTRY

Ad es.:

PhCCNH

O

HOE

PhCHCHCHCHCHCHCNH

O

HO

PhNH

O

HOEEE

PhCCCHCHCNH

O

HO

L35 18 (L31 AND PENTADIENAMIDE)

e

L37 19 (L31 AND C H N O/ELF AND 2/O(P)1/N)

Set di composti strutturalmente più vicini alla sostanza di interesse

HCAPLUS

Cercare il set di strutture isolate in Registry, eventualmente limitandolo introducendo anche il concetto dell’uso terapeutico, e isolare il set di

brevetti presenti in Marpat

=> d hisFILE 'REGISTRY'SET EXTEND ON PERML30 122814 S L29 FUL EXTENDL31 1312 S L29 FULL34 10 S L31 AND BIPHENYLL35 18 S L31 AND PENTADIENAMIDEL36 908 S L31 AND C H N O/ELFL37 19 S L36 AND 2/O(P)1/N

SI CREANO TRE DIVERSI SET DA PORTARE IN MARPAT

=> s L30L38 46124 L30=> s L38 and marpat/osL78 7572 L38 AND MARPAT/OS

L78: BREVETTI MARPAT DA STRUTTURE ISOLATE IN REGISTRY

HCAPLUS

=> s (?TUMOR? OR ?NEOPLAS? OR ?CANCER? OR ?CARCINO? OR ?ONCOL? OR((HISTONE DEACETYLASE) (2A) INHIB?))L42 860819=> s L42 and marpat/osL43 21073 L42 AND MARPAT/OS

L43: BREVETTI MARPAT RELATIVI ALL’USO TERAPEUTICO

=> s L35L39 15 L35=> s L37L40 43 L37=> s L39 or L40L41 48 L39 OR L40=> s L41 and L42L44 28 L41 AND L42=> s L44 and marpat/osL45 15 L44 AND MARPAT/OS

L45: BREVETTI MARPAT DA COMPOSTI “PIU’ SIMILI”+USO TERAPEUTICO

=> s L44 not p/dtL46 13 L44 NOT P/DT L46: NON PATENT LITERATURE DA COMPOSTI

“PIU’ SIMILI”+USO TERAPEUTICO

HCAPLUS → MARPAT

SI TRASPORTANO IN MARPAT I TRE DIVERSI SET ISOLATI IN HCAPLUS

=> d L43 an 9500 L43 ANSWER 9500 OF 21073 HCAPLUS COPYRIGHT 2006 ACS on STN AN 2002:51976 HCAPLUSDN 136:123640=> S L43 RANGE=(2002:51976, ) 68016 MARPAT/OSL72 9500 L42 AND MARPAT/OS=> d L43 an 18000 L43 ANSWER 18000 OF 21073 HCAPLUS COPYRIGHT 2006 ACS on STN AN 1991:680483 HCAPLUSDN 115:280483=> S L43 RANGE=(1991:680483, ) 195084 MARPAT/OSL73 18000 L42 AND MARPAT/OS=> s L43 not L73L74 3073 L43 NOT L73=> s L73 not L72L75 8500 L73 NOT L72

MARPAT

=> s L78L79 7572 L78

L79: BREVETTI MARPAT DA STRUTTURE ISOLATE IN REGISTRY (7572)

=> s L72L80 9500 L72=> s L74L81 3073 L74=> s L75L82 8500 L75=> s L80 or L81 or L82L83 21073 L80 OR L81 OR L82

L83: BREVETTI MARPAT RELATIVI ALL’USO TERAPEUTICO (21073)

=> s L45L84 15 L45

L84: BREVETTI MARPAT DA COMPOSTI “PIU’ SIMILI”+USO TERAPEUTICO (15)

=> fil marpat

MARPAT

Il set di brevetti isolato in Registry-HCAPlus costituisce l’insieme nel quale effettuare, in subset, la ricerca per struttura in Marpat

Uploading C:\Programmi\STN\Queries\marpat.str

Match Level :1:CLASS 2:CLASS 3:CLASS 4:CLASS 5:CLASS 6:CLASS 7:CLASS 8:CLASS 9:CLASS 10:CLASS 11:CLASS 12:CLASS 13:CLASS 14:CLASS 15:CLASS 16:CLASS 17:CLASS 18:CLASS 19:CLASS 20:CLASS

La struttura viene cercata a liveLLo CLASS, UNLIMITED

MARPAT

=> s L85 ful sub=L79L87 3556 SEA SUB=L79 SSS FUL L85 EXTENDCANDIDATE STRUCTURE SEARCH COMPLETED - 3556 TO ITERATE100.0% PROCESSED 3556 ITERATIONS 41 ANSWERSSEARCH TIME: 00.00.04L88 41 SEA SUB=L79 SSS FUL L85

L79: BREVETTI MARPAT DA STRUTTURE ISOLATE IN REGISTRY (7572)

ANALISI DEI RISULTATI

1. Si cercheranno per primi eventuali documenti relativi alla sostanza impiegata per l’uso terapeutico indicato

2. Si cercheranno poi eventuali altri riferimenti alla sostanza di interesse


=> s L88 and L84L89 2 L88 AND L84

L84: BREVETTI MARPAT DA COMPOSTI “PIU’ SIMILI”+USO TERAPEUTICO (15)

=> d fhit

MSTR 1

25

G1011

G1G1

G1

G1G1

G1G1

G1G1

G20

G1 = H / alkyl <containing 2-10 C> /......

G10 = bond / C(O) / S(O) / SO2 / S /........

G20 = 95 / 40

40G9 9G16 C(O)G17

95G26 94G27 C(O)C G25

G25

F

G9 = 35-2 8-9 / 41-2 43-9 / 45-2 46-9

8CHG22

35G64143G5

45C 46C

G22 G4 G4 = H / ...

G22 = H / R

G16 = G19 / carbon chain <containing 2 or more C, 0 or more double bonds> (opt. substd.) / CH=CH / CH=CHCH=CH

G17 = OH / SH / alkylthio <containing 1-6 C> / alkoxy <containing 1-6 C> / 75

75G28 G29

G28 = NH / 112

G29 = NH2 / alkylamino <containing 1-6 C> / dialkylamino <each alkyl containing 1-6 C> / OH / alkoxy <containing 1-6 C>


Patent Location: claim 1Note: and pharmaceutically acceptable salts

W

MeNHSO2

Cl

Y-CO-XR5

R4

R1

R3

R2R6

R7 R8

CONHOH

I

II

ACCESSION NUMBER: 2005:120719 HCAPLUS DOCUMENT NUMBER: 142:197670TITLE: Preparation of phenylalkyl acid derivatives as histone deacetylase inhibitorsINVENTOR(S): Marson, CharlesPATENT ASSIGNEE(S): University College London, UKPATENT INFORMATION: PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- -------- WO 2005011661 A1 20050210 WO 2004-GB3155 20040719

ABCompds. of formula I [R1-R5 = H, alkyl, alkoxy, OH, halo, amino, nitro, CN, etc.; R6 = H, alkyl, etc; R7, R8 = H, halo, alkyl, aryl, heterocyclyl, (substituted) OH, etc.; R6R8 = CH2; X = (substituted) OH, SH, NHOH, etc.; Y = (substituted) alkenylene, alkylene; W = CONH, SO2NH, etc.] are prepared for use in treating a disorder mediated by histone deacetylase. The compds. are useful in the treatment of cancers. They may be utilized in combination therapies with DNA methylation inhibitors and other anti cancer agents. Thus, II was prepared, and had IC50 of 49 nM against histone deacetylase.


HITSTR

MeO

NH

S

O O NH

O

OHE E

Titolo: PHARMACEUTICAL AGENTSRiassunto: Use of compounds of formula (I) in the manufacture of a medicament for use in treating a disorder mediated by histone deacetylase: wherein the symbol ---- represents a single bond or a double bond or the symbol ---- R6 and R8 together represent cyclopropyl and R1 to R8 W, X and Y are as defined herein; and pharmaceutically acceptable salts thereof. Also disclosed are compounds for such uses. The compounds are useful in the treatment of cancers. They may be utilised in combination therapies with DNA methylation inhibitors and other anti cancer agents.


Estratto dalla descrizione: A preferred class of compounds according to the invention have the formula (II) : wherein R1, R2, R6, R18, W and X are as defined above and m is 1, 2 or 3; and pharmaceutically acceptable salts thereof. More especially, R1 and R2 each independently represent hydrogen, C1-C6 alkyl, C1-C6 alkxoy, halo or (C1-C6 alkoxy) carbonyl; R6 and R18 are each independently selected from hydrogen, C1-C4 alkyl or C1-C4 alkoxy ; W represents a single bond,-CH=N-,-N=CH-,-CONH-,-NHCO-, -SO2NH-,-NHSO2-,-OCH2-,-CH2O-,-CH2S-or-SCH2-; and X represents-NHOH, CF3 or-OR14 wherein R14 is hydrogen or Cl-C4 alkyl.Rivendicazione 9: Use according to claim 1, wherein the compound is of formula (II): wherein R1, R2, R6, R18, W and X are as defined above and m is 1,2 or 3; and pharmaceutically acceptable salts thereof

CommentiL’invenzione è relativa all’uso di una classe di composti nel trattamento dei disordini mediati da histone deacetylase. Tali composti sono utili nel trattamento del cancro.Una classe preferita di composti è quella descritta dalla formula (II). La struttura (II) dove in particolare R1, R2, R6,R18 = idrogeno; W = legame singolo; X = -NHOH corrisponde al composto N-idrossi-5-[1,1’-bifenile]-2,4-Pentadienammide che pertanto è descritto dalla formula Markush (II).


=> s L88 and L83L97 24 L88 AND L83

L83: BREVETTI MARPAT RELATIVI ALL’USO TERAPEUTICO (21073)

=> s L88 not L97L101 17 L88 NOT L97

SOLO STRUTTURE

AN 106:175956 MARPAT Full-textTI Preparation of aryl hydroxamic acid derivatives, compositions containing them, and their use in medicine and other applications.

EP----196184 A2 19861001

Me

Ph

C CH2

O

CH2 C N

O

OH

Me

Me

CH CH C N

O OH

Me

Ph

CH CH C N

O OH

Alcune HITSTR:

http://chemport.fiz-karlsruhe.de/cgi-bin/ex_sdcgi?Cwz1UNpgTSAKETsLimo6Z7tBZguQdpLTdu2NkG3vH37SpScoGv_fDjt3YwpCbbUvOYKG6dHkakqGugk9IHCMl7kiDdZsSRjh4adVkj8eUG7zz9myifTx7N1cyNZvmlSJwkd3ku8A6p7JNSyoI42lPQqzqEMkfshzRIjmh2qdAPUZgg1EYOt9XYpursjLwYj


Titolo: ARYL DERIVATIVES

Novel compounds of formula (I) Ar-(L-Ar')q-(X)k-(Y)p-Qwherein:......

CommentiL’invenzione è relativa ad una classe di composti inibitori della lipossigenasi e/o della ciclossigenasi che possiedono utili proprietà mediche sia terapeutiche che profilattiche.Tra i composti descritti dalla formula Markush (I) segnaliamo la classe di composti che si ottiene quando:q, k = 0p = 1Ar = Ph-PhY = C1-10 alkenyleneQ = -C(O)-NH-OH

tale famiglia di composti contiene anche l’ N-idrossi-5-[1,1’-bifenile]-2,4-Pentadienammide

ALTRE IDEE PER SFRUTTARE IL SET DEI COMPOSTI STRUTTURALMENTE

PIU’ SIMILI Da tentare soprattutto se il set ha già dato buoni risultati e si è quindi dimostrato “ben rappresentativo” del composto di interesse

=> s L44 not p/dtL46 13 L44 NOT P/DT

L46: NON PATENT LITERATURE DA COMPOSTI “PIU’ SIMILI”+USO TERAPEUTICO

ACCESSION NUMBER: 2004:346246 HCAPLUS DOCUMENT NUMBER: 141:71333TITLE: Stereodefined and polyunsaturated inhibitors of histone deacetylase based on (2E,4E)-5-arylpenta-2,4- dienoic acid hydroxyamides

AB Syntheses of (2E,4E)-5-arylpenta-2,4-dienoic acid hydroxyamides are described, some of which are potent inhibitors of histone deacetylase, a double bond conferring more than a 10-fold increase in potency compared with the triple bond analog oxamflatin. Variation of substituents on the aromatic ring has a marked effect on potency, in vitro IC50 values down to 50 nM being obtained

Cl

NH

O

OHE E

Me2N

NH

O

OHE E

RICERCA DELLA NON PATENT LITERATURE

TITLE: Preparation of phenylalkyl acid derivatives as histone deacetylase inhibitorsINVENTOR(S): Marson, CharlesPATENT ASSIGNEE(S): University College London, UKPATENT INFORMATION: PATENT NO. KIND DATE APPLICATION NO. DATE --------------- ---- -------- -------------------- -------- WO 2005011661 A1 20050210 WO 2004-GB3155 20040719

AUTHOR(S): Marson, Charles M.; Serradji, Nawal; Rioja, Alphonso S.; Gastaud, Sebastien P.; Alao, John P.; Coombes, R. Charles; Vigushin, David M.CORPORATE SOURCE: University College London, Department of Chemistry, Christopher Ingold Laboratories, London, WC1H OAJ, UKSOURCE: Bioorganic & Medicinal Chemistry Letters (2004), 14(10), 2477-2481 CODEN: BMCLE8; ISSN: 0960-894X

in un altro “contesto temporale” poteva essere un documento molto significativo……

©Petra Gnemmi Quaestio® by Studio MoradeiPatent Information Partners via Sanvito, 43 21100 Varese e-mail: [email protected]






14.30 - 15.15 Una ricerca brevettuale (Registy CAPlus Marpat) Dr. G. Rucci STN/CAS14.30 - 15.15 Una ricerca brevettuale (Registy CAPlus Marpat) Dr. G. Rucci STN/CAS


A Patent Search(Registry, CAPLus, Marpat)

Guglielmo Rucci

Question:You need to know the prior art, patents and articles, about complexes containing at least two Platinum atoms, as specified in the following structure.

Pt

N Pt

NH3

NH3

Anything between N and PtAnything between N and Pt

Registry-CAPLus

=> fil reg STRUCTURE UPLOADED => dL1 STR

M

N

N

M

N

chain nodes :2 3 5 ring/chain nodes :1 4 chain bonds :1-2 1-3 4-5 exact bonds :1-2 1-3 4-5

Hydrogen count :2:= exact 3 5:= exact 3 Connectivity :3:2 M minimum RC ring/chain

Match level :1:CLASS 2:CLASS 3:CLASS 4:CLASS 5:CLASS

UNLIMITED

=> l1 FULL FILE PROJECTIONS: ONLINE **INCOMPLETE** BATCH **INCOMPLETE**PROJECTED ITERATIONS: 11467631 TO 11552569PROJECTED ANSWERS: 0 TO 0 L2 0 SEA SSS SAM L1

=> fil reg => b8/pg (Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt)L1 1864947 B8/PG => L2 STRUCTURE UPLOADED => l2 full subset=l1L4 1347 SEA SUB=L1 SSS FUL L2

=> l4 and pt=>2L5 521 L4 AND PT=>2

=> fil caplus => l5L6 207 L5 => l6 and p/dtL7 38 L6 AND P/DT

(CH2)4(CH2)3 NH2 Pt Cl

NH3

NH3

NHNH2PtCl

NH3

NH32+ -2+-

(CH2)6(CH2)6 NH2PtNH2

NH3

NH3

NH2 PtNH2 Cl

NH3

NH3

PtCl

NH3

NH3

2+ 2+ -2+-

Cl-4

Bu-tt-Bu

NO2

NO O

Pt

NH3H3N

Pt

OO

OH3N

NH3

NH NH

-

3+3+

-

- -

(CH2)5Pr-n

Pr-n

Pr-nn-Pr

O CPt

OO

NH2

NH3

O

O

C

O

O

O

NH2 Pt

OO

H3N O

O

CC

OO

O

O

-4+

-

-

-

4+

--

-

-

(CH2)6Pd NH2

NH3

NH

O

NH2 Pt Cl

NH3

NH3R

2+ 2+ -

(CH2)6NH2 NH2 Pt Cl

H3N

NH3

R2+ -

Cl-4

t-Bu Bu-t

Bu-t

Bu-t

O

C

Ag

O

Pt

O O

NHNH

C O

O

Ag Pt

NH

NH

NH3

H3N

C

C

O

O

-

04+ --

0 -

PAGE 1-A

H3N NH3

H2O2

PAGE 2-A

Registry-Caplus-MARPAT

=> fil marpat => L1 STRUCTURE UPLOADED => l1 FULL FILE PROJECTIONS: ONLINE **INCOMPLETE** BATCH **INCOMPLETE**PROJECTED ITERATIONS: 183296 TO 189904PROJECTED ANSWERS: 0 TO 0 L2 0 SEA SSS SAM L1

> fil reg => pt/elsL1 141409 PT/ELS => fil caplus => l1 and marpat/osL2 3380 L1 AND MARPAT/OS

=> fil marpat => l2L3 3380 L2 => L4 STRUCTURE UPLOADED => l4 full subset=l3L6 24 SEA SUB=L3 SSS FUL L4

(Eight patents original from Marpat)

G7

-O

-O

O

O

-NO

G1

G7 -O H G11G7= 50

50+2M

G8

G853+2M54

N

55NG10

H

H

H

H

68+2M

N

NH H

H

80+2M

NN HH

G8= NH3 / alkylamine

G11= Pt

-OP-O

P-O-O

O

O

+2M +2M

G1 G3 G4 G5

G17G8

G19

G1= NH3

G3, G5= 23H2N G2

26HN

G2

G2

G4= NH3

G19= Pt

1+2M

G4

G5 O

-O+2M-N

G6

G6

H

N G2H G1 G3

G4, G6= NH3

G5=24

24H2N G8

26HNG9

G9 29N

G1= Pt

-O P

17C

P-O

O

O

G7 G10+2M

NG1

NG1

HH

HH -O

-O

+2M

N G1

N G1

HH

HH

G3

G3= Pt

G1= H / carbon chain

2-O G8G1 34

-O G1

G1= 1

1+4Pt

-O

G2

G2

G3

G3

G4 19+4M

-O

N

N

G3

G3

G4

G7G6

HH

HH

G2= NH3 (opt. substd.) G3= halogen anion







15.15 - 15.30 Coffee Break15.15 - 15.30 Coffee Break 15.30 - 16.00 Seminari 2007, Commenti, Chiusura Dr. G. Rucci STN/CAS







15.15 - 15.30 Coffee Break 15.30 - 16.00 Seminari 2007, Commenti, Chiusura Dr. G. Rucci 15.30 - 16.00 Seminari 2007, Commenti, Chiusura Dr. G. Rucci STN/CASSTN/CAS

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