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Workshop in Cuba - Call for Papers
by Tito Diaz Bravo 26 Nov '98

26 Nov '98

International Workshop TIAP99 - Call for papers Call for papers Dear Colleague, I have pleasure in announcing the Second International Workshop on Process Analysis in Chemical Engineering, TIAP99, which will be held in Havana, Cuba, from 27 to 30 April 1999. This Workshop is organized by the Chemical Engineering Department of the Higher Polytechnic Institute "Jose Antonio Echeverria" (ISPJAE), Havana, Cuba. We cordially invite you and members of your staff to participate in this Workshop. For further information you can visit our website at http://redquimica.pquim.unam.mx/internacional/cubaenglish.htm or contact me: Dr.Tito Diaz Bravo Facultad de Ingenieria Quimica. ISPJAE. Marianao CP 19390. C. Habana. Cuba. E. Mail: tiap(a)quimica.ispjae.edu.cu Fax: (537) 272964 Tel.: (537) 207220 IMPORTANT DATES Abstract due 15 Jan 1999 Author Notification 30 Jan 1999 Submission of Final Manuscript 20 Feb 1999 Notification of Final Acceptance 1 March 1999 Deadline for registration 27 April 1999 Please pass forward this e-mail to all your staff members and thank you in advance for helping us to publicise this announcement. chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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From my very unfortunate experience with Springer ...
by Shu-Kun Lin 26 Nov '98

26 Nov '98

My dear colleagues: During recent months of suffering from Springer Verlag's lawsuit regarding the journal MOLECULES (http://mdpi.org/molecules/) I thought a lot and concluded that the internet publication and electronic conference really give all of our scientists' unprecedented freedom of press and we all should love it: Now the technical part of publication is extremely easy and cheap. Every scientists can be a publisher himself. I tell you frankly we published 20 issues of MOLECULES (Vol.2, vol. 3) by ourselves with very easy-to-use software. Before that, publication must be done by a publishing company. Now it is not necessary at all. The only remaining part of publication is peer review of the manuscripts, which has been done exclusively by scientists themselves anyway. My MOLECULES vol.2 and 3 was published not by any publishing company. However, I received more supports and I have more manuscripts than I can publish. The quality (layout, etc.) is very good. This is recognized by the fact that all the major abstracting and indexing services covered my two volumes. Therefore, I believe in near future publishing companies will be vanishing. Long live the Internet!! If they want to survive, the only chance might be to become humble database manager, because Internet makes everything related to information nothing but database. >From my very unfortunate experience with Springer Verlag, I would like to tell all of those dear colleagues who plan to launch a new journal, particularly an internet one, think at lest twice before collaborating with a "famous" professional publisher, it might be predatory one! I also want to use this chance to protest openly against Springer Verlag. I am not used to this kind of thing but I will fight against this injustice. As basically only a poor boy from a remote village in China, I have already luckily enjoyed many, including internet, which I never expected before. Springer: you believe me, I have nothing evil to fear. I believe the principles in the world still exist and the basic human rights of free press will be protected. I thank many colleagues who encouraged me. Sincerely, Shu-Kun Lin http://www.mdpi.org/lin/ --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland http://www.mdpi.org/ E-mail lin(a)mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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A java based 3d Molecular viewer
by Paul May 23 Nov '98

23 Nov '98

Hi, You might like to look at: <http://pw1.netcom.com/~gpurvis/Dendron.html> which gives details of another 3D molecular viewer used to see chemical structures on web pages. This one's called ChemApp and is Java based, so doesn't require plug-ins, and is configured to use CAChe chemical sample files (.csf). It's free to download and use so long as appropriate credit is givento the author (John Purvis, Pomona College, Claremont, CA). Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> "Ha! Your superior intelligence is no match for our puny weapons" Simpsons ------------------------------------------------------------------------- chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Report on Chemistry and The Internet
by Dr. Wendy A. Warr 22 Nov '98

22 Nov '98

Some of you may have seen my FREE report about the Chemistry and the Internet conference held in Irvine in September. If you haven't, do visit http://www.warr.com/chemint.html You may want to print the report for reading later - it runs to about 40 pages - but there are no graphics and access should be fast. Apologies for duplicate messaging. Wendy -- Dr Wendy A Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy(a)warr.com http://www.warr.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Springer-Verlag acquired
by Dr. Wendy A. Warr 22 Nov '98

22 Nov '98

The following is a preview of part of my Warr Zone page for November 27 (in The Alchemist at http://ChemWeb.com) Bertelsmann A.G. signed a 1 billion German mark ($597 million) deal on November 20, to buy an 82 percent stake in Springer-Verlag G.m.b.H., Germanys largest publisher of scientific journals and technical books. The acquisition will allow Bertelsmann to make new inroads into the United States market. Almost 25 percent of Springers annual revenues of 615 million marks comes from the United States. More than 60 percent of the company's publications are in English. The acquisition, which is subject to approval by European regulators, is part of an aggressive push by Bertelsmann to become a dominant player in science and technical publishing - a market that is expected to grow faster than consumer or popular books in the next few years. Bertelsmann took over Random House earlier this year and in October struck a deal with Barnes & Noble to participate in a joint venture in the chains online bookstore. Part of the appeal of Springer was Springer LINK, the electronic network, which offers more than 400 technical and medical journals. Bertelsmann has an expanding infrastructure of Internet investments, from its electronic bookstores in the United States and Europe to its interest in the search engine Lycos and the on-line service, America Online. It believes that its own strength on the Internet can add something important to Springer. The latter is expected to increase its sales of scientific and technical books through Barnes & Nobles electronic bookstore, placing additional pressures on Amazon.com. It is claimed that, using the information highway, which is built for mass consumer markets, Bertelsmann can deliver scientific, technical and medical contents for incremental costs. The professional and scientific publishing market is being consolidated: to compete requires a lot of capital and resources. Springer, a privately owned, independent company, had a profit margin of about 10 percent. The new majority owners expect a future return on sales of 15 percent to 20 percent. The new chairman to head the supervisory board of Springer, Jürgen Richter, is the former chairman of Axel Springer, a Berlin-based newspaper conglomerate which has no connection with Springer-Verlag. -- Dr Wendy A Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy(a)warr.com http://www.warr.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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E-Journals, Databases small and large, and Copyright
by Rzepa, Henry 21 Nov '98

21 Nov '98

My recent posting to this forum addressed the interesting trend that publishers are starting to create and distribute tools to assist authors in creating and validating "database" entries to be associated with electronic versions of articles they are preparing. Given that such "Added value" or "enhanced" articles might contain up to 100 or so molecules, perhaps with a great deal of associated property and spectral information and perhaps expressed in eg XML/CML, this must constitute by recent rules a copyrightable database. Created by the author, the initial copyright at least must presumably reside with the author. Of course, a publisher would wish to use such individual microdatabases to aggregate into much larger databases, this being part of their own "added value" contribution to the publishing process. Presumably then, the publisher will wish the copyright owners to transfer that copyright to them, the publisher. This of course many (not all) publishers already do with the text and images associated with more conventional articles. It will be interesting to see how this process might evolve. For example, in recognition that each microdatabase will add value to the publishers larger database, should the author charge the publisher for the transfer of the database? Presumably, in turn the publisher will charge the e-journal reader for the right to access and use any larger database. If its accepted that authors might be able to "sell" their microdatabase to the publisher, then what might the going rate be? Per molecule? Is a sensible formula even possible? Perhaps of course the publisher might instead ask that if the author wants to gain from the database accretion process, they should hand over the microdatabase free of charge to the publisher. I wonder if these issues have been resolved anywhere, by any publisher, of chemical or indeed non chemical journals. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ If my digital email signature is invalid, download a new root at http://www.belsign.be/en/services/receive/install-ca.html chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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CIC Workshop/Germany.
by h.rzepa＠ic.ac.uk 17 Nov '98

17 Nov '98

Following on from the Chemint98 conference, the 13th CIC (Chemical Information with Computers) Workshop was held in Germany. The "Internet" theme was fairly strong with many interesting presentations. I note below some of the URLs associated with the talks. 1) Wolf-Dietrich Ihlenfeldt showed the new Web-based interface to the NCI database. With some 250,000 entries, it constitutes the largest freely accessible database of compounds available. http://www2.ccc.uni-rerlangen.de/ncidb or http://cactvs.cit.nih.gov/ncidb/ 2) Another theme is the emergence of smaller specialised databases, which the Internet has made viable to mount. An excellent example is the glycostructures database. Amazingly, some 49,000 such compounds have been characterised; http://www.dkfz-heidelberg.de/spec/ 3) Some interesting work in developing "progressive" 3D image viewing comes from Erlangen. We all have seen progressive GIF or JPEG images (where a low res picture comes first). Now see it n 3D using VRML or Java3D http://www9.informatik.uni-erlangen.de/eng/research/prolet/ 4) Another storng theme was the emergence of a new generation of tools to assist authors to contribute active informatrion to electronic journals. Thus in conjunction with the scientific publisher Wiley and Chemical Concepts, LabControl have made available a freely downloadable analytical data viewer and processor. Viewpoint is a JCAMP viewer which allows analytical data to be viewed and saved. TransSpec NT is a simple tool for transferring primary data to a publisher site using a factual database (SpecInfo) as an intermediate container; http://www.labcontrol.com/ This "synergy" between information software developer and publisher was reinforced by the presentation by MDL of Mentor, a "bundle" of tools to allow users to create local databases associated with electronic journal articles, with a veiw to fullscale integratation of database handling techniques with the electronic article. >From these last two presentations, we were left in no doubt that the tight intergratoin of the e-journal with the database was very much the way the commercial publishers view the future of electronic journals. If I can add a personal comment here; it is most welcome to see publishers thinging how the e-journal can be "enhanced" beyond simply delivering electronic versions of paper. Of course, one must remember that al these extra features are likely to cost. I can see the era of "light" and "pro" versions of e-journals just around the corner. The light version perhaps for students (and impoverished academics), the pro versoin for industry. Finally, I note that chemistry "portals" continue to be developed. A German portal http://www.chemie.de/ is an excellent and probably definitive collection of German sites. It also has an International section, via collaboration with Liverpool University (aks the ChemDex UK Site at Sheffield). There are other presentations, but I have to leave early, so apologies to not quoting those speakers! Henry Rzepa (Bad Duerkheim, Weinstrasse, Germany) chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Re: Chemistry teaching
by Lachlan Cranswick 13 Nov '98

13 Nov '98

You might like to look at Jeremy Cockcroft's page at Berbeck College London where they give Crystallography courses over the internet. http://gordon.cryst.bbk.ac.uk/www/msc-mcc/mcc_homepage.html -- MSc in Materials & Chemical Crystallography http://gordon.cryst.bbk.ac.uk/www/msc-mcc/mcc_homepage.html Advanced Certificate in Powder Diffraction on the Web http://pd.cryst.bbk.ac.uk/www/pd/welcome.htm Author of Symmetry on the WWW course (limited to fee-paying students) http://gordon.cryst.bbk.ac.uk/www/cockcroft/course/p1.htm Lachlan. At 13:01 13/11/98 +0100, you wrote: >Can any of you give me your ideas on the use of any of the available >information (or resources: e-mail, FTP, web, chats...) from Internet for >Chemistry teaching (Science, in general)? >-How to teach Chemistry with Internet for a class of 10, each with a >computer >-Self-learning Chemistry from Internet distance learning > > > >chemweb: A list for Chemical Applications of the Internet. >To post to list: mailto:chemweb@ic.ac.uk >Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ >To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; >(un)subscribe chemweb >List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk) > > Lachlan M. D. Cranswick Collaborative Computational Project No 14 (CCP14) for Single Crystal and Powder Diffraction Daresbury Laboratory, Warrington, WA4 4AD U.K Tel: +44 (0)1925-603703 Fax: +44 (0)1925-603124 Room C14 E-mail: l.cranswick(a)dl.ac.uk CCP14 Webpage (Under heavy construction): http://www.ccp14.ac.uk chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Chemistry teaching
by Jos� Mar�a Gavira Vallejo 13 Nov '98

13 Nov '98

Can any of you give me your ideas on the use of any of the available information (or resources: e-mail, FTP, web, chats...) from Internet for Chemistry teaching (Science, in general)? -How to teach Chemistry with Internet for a class of 10, each with a computer -Self-learning Chemistry from Internet distance learning chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Additions to Web Nomenclature Database
by G.P.Moss 12 Nov '98

12 Nov '98

The following documents have recently been added to my Nomenclature Database Medicinal Chemistry ~~~~~~~~~~~~~~~~~~~ IUPAC Glossary of Terms in Medicinal Chemistry (Recommendations 1998) (Pure Appl. Chem., 1998, 70, 1129-1143) which includes nearly 120 terms. The URL is: http://www.chem.qmw.ac.uk/iupac/medchem/ ____________________ Cyclitols ~~~~~~~~~ IUPAC-IUB Nomenclature of cyclitols (1973), Biochem. J., 1976, 153, 23-31; Eur. J. Biochem., 1975, 57, 1-7; Pure Appl. Chem., 1974, 37, 283-297; Biochemical Nomenclature and Related Documents, 2nd edition, Portland Press, 1992, pages 149-155. The URL is: http://www.chem.qmw.ac.uk/iupac/cyclitol/ ____________________ Tocopherols ~~~~~~~~~~~ IUPAC-IUB Nomenclature of tocopherols and related compounds. Recommendations 1981, Arch. Biochem. Biophys., 1982, 218, 347-348; Eur. J. Biochem., 1982, 123, 473-475; Mol. Cell. Biochem., 1982, 49, 183-185; Pure Appl. Chem., 1982, 54, 1507-1510; Biochemical Nomenclature and Related Documents, 2nd edition, Portland Press, 1992, pages 239-241. This document is concerned with Vitamin E active compounds. The URL is: http://www.chem.qmw.ac.uk/iupac/misc/toc.html ____________________ Other Biochemical Nomenclature ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ A number of much more biochemical documents have also been added. The full details of where they were published will be found with the document. IUB Nomenclature of Multiple Forms of Enzymes. Recommendations 1976 http://www.chem.qmw.ac.uk/iubmb/misc/isoen.html IUB Numbering of atoms in myo-inositol. Recommendations 1988 http://www.chem.qmw.ac.uk/iupac/cyclitol/myo.html IUPAC-IUBMB Recommendations for nomenclature and tables in biochemical thermodynamics. Recommendations 1994 http://www.chem.qmw.ac.uk/iubmb/thermod/ IUPAC-IUBMB Symbolism and terminology in enzyme kinetics. Recommendations 1981. http://www.chem.qmw.ac.uk/iubmb/kinetics/ The Nomenclature Committee of IUBMB propose to make changes to 'Enzyme Nomenclature, Recommendations 1992' by listing newly discovered enzymes and correcting some entries. It invites public comments on these proposals, which may be viewed at http://www.chem.qmw.ac.uk/iubmb/enzyme/ Such comments should be made by 31st December 1998 to Professor Keith Tipton (ktipton(a)tcd.ie) If you want to be informed when new documents are added to this database e-mail g.p.moss(a)qmw.ac.uk Gerry Moss _________________________________________________________________________ Dr GP Moss Telephone: +44 171 775 3262 Department of Chemistry Queen Mary & Westfield College Facsimile: +44 181 981 8745 Mile End Road London E1 4NS, United Kingdom E-mail: g.p.moss(a)qmw.ac.uk World Wide Web server: http://www.chem.qmw.ac.uk/ IUPAC chemical nomenclature data base: http://www.chem.qmw.ac.uk/iupac/ IUBMB biochemical nomenclature data base: http://www.chem.qmw.ac.uk/iubmb/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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