Newsletter #3 | October 2008
The German National Library of Science and Technology (TIB Hannover) and Elsevier are pleased to announce the integration of CrossFire Gmelin into www.chem.de - the information and knowledge platform. Chem.de is a joint project of the Chemistry Information Centre (FIZ CHEMIE) Berlin, the German Chemical Society (GDCh) and TIB Hannover. Chem.de supports a detailed supply of chemical information and provides a valuable base for discussion, cooperation and education.
Chem.de's search engine now offers a free initial search by keywords, chemical names or formulas in the CrossFire Gmelin database. The short hit list allows all users a clear overview in terms of available results in Gmelin - showing information on facts or bibliographic data. This provides researchers with an insight into what is possible within their research. Gmelin users with a Gmelin licence can directly access the full range of information available from the hit list of links provided.
Gmelin being available on chem.de has the added advantage of it being located alongside the respected and comprehensive resources offered by the aforementioned German societies. For more information check out chem.de.
Catalysts in CrossFire Gmelin - searching for Ruthenium (Grubbs') catalysts
CrossFire Gmelin is an accurate source of information for catalysts and catalyst property data. Taking a popular example - how the success of olefin metathesis has spurred the intense investigation of new catalysts for this transformation - we see how Gmelin shows its value. Gmelin is a highly useful tool to get a reliable overview of synthesis, reactions and physical properties of this catalyst class. Taking olefin metathesis it is simple to learn how to search for Ruthenium (Grubbs') catalysts in Gmelin.
For a general overview you can search the ruthenium structure scaffold with variable atoms (see below). Combine the generic structure with a field search "Behavior as Catalyst" and select from the field group "Chemical Behavior" in the left search field.
The hit set covers many Grubbs catalysts of all generations, such as:
- Grubbs' catalyst of first generation
- Grubbs' catalyst of second generation
Or modified catalysts like:
- Hoveyda-Grubbs' catalyst of first generation
- Hoveyda-Grubbs' catalyst of second generation
This opens up detailed views on synthesis, reactions and properties of these compounds:
As shown here, for those searching for information on catalysis and catalyst property data Gmelin can be of immense value.
More Free CrossFire webinars now available
Following the success of the first run of free CrossFire webinars, new dates have been added running through until Christmas, ensuring that CrossFire users have the time and support they need to maximise their CrossFire usage - whether for just one of the databases or the entire suite. These free webinars take no longer than one hour and participants come away with a greater insight into CrossFire and an enhanced ability to manipulate the databases to ensure the best possible results.
Users have the chance for interactive contact with a dedicated CrossFire expert; whether they need a basic introduction to the database suite, or whether they need to drill down into the details of using Beilstein, Gmelin or Patent Chemistry Database. Register for the free online CrossFire training webinars here.
What you think - let us know
CrossFire is a valuable tool for research chemists and feedback from the webinars has shown just how useful the database suite can be. With the right training, users are able to work more effectively and efficiently. It isn't only feedback from the webinars, following recent end-user interviews conducted, it emerged that organometallic chemistry and catalysts are not only valuable for inorganic chemists, but organic too. Let us know what you think, contact us.
Tips and Tricks - using variable atoms
Do you know how to use variable atoms in a structure search in CrossFire Gmelin? Learn how this simple task is carried out in three easy steps.
In the generic diphenyl-phosphor-compound shown below, a variable group "A0=Rh, Ir" is included.
To use variable atoms in a structure query:
- use a substitute atom A0, A1, A2, ... A(n) in the structure (see step 1)
- choose the atom list number from the tool bar (see step 2)
- assign related elements from the periodic table to this substitute atom A0, A1, A2, ... A(n) (see step 3)
Spectral peaks in Patent Chemistry Database
Patent Chemistry Database is not a patent database in the common sense. It is a factual and reaction database which indexes experimental substance and reaction data from english-language world, US and European patents since 1976.
PCD offers the single spectral peaks of substances, ensuring that researchers can swiftly identify what the compound is. When the complete peak information appears at the end of a reaction procedure text, these data are displaxed in the database field "Original String" (see below).
The database field "Location in Patent" shows on which page the spectral data appears in the patent full text.
Peaks for all kinds of spectra - NMR, UV, MS, IR etc are all available in PCD. The above example shows NMR-peaks for a 1H- and a 13C-NMR. The Field Availability on the left hand side of the screen shows which other spectra are indexed for the given substance - here UV and MS.
To see the Field Availability box use "View - Field Availability in separate window.. (F5)." To see the structure shown as above use "View - Structure in separate window (F2)."
Where to find us
Mark the dates for 19th - 22nd October - CrossFire will be present at the ICIC in Nice. Not only will product experts be on hand to answer and assist with any database queries, but also attendees will have an exclusive chance to see Reaxys - the new workflow tool for synthetic chemists. Join our after dinner drinks reception on Sunday 19th at the hotel Boscolo, Niceand speak to members of the development team and product experts in an informal and relaxed setting.
Beyond that, we will be attending PharmaBioMed in Dubrovnik, Croatia and also 4th German Conference on Chemoinformatics in Goslar, Germany. Keep an eye on future events here.
Reaxys - innovation from CrossFire Beilstein
Reaxys - the brand new workflow tool for chemists is now live as an evaluation product. Existing CrossFire customers and newcomers have the possibility to evaluate Reaxys, to learn about the new functionality, valuable synthesis planner and access the broad range of information available - sourced from CrossFire Beilstein, Gmelin and the Patent Chemistry Database and presented as a highly intuitive web-based system. Reaxys is designed to support the optimization of synthetic processes and is a valuable resource for accurate and validated experimental reaction and substance data.
Learn more about Reaxys and sign up for the Reaxys newsletter to stay up-to-date with future developments.
