- chemweb - imperial.ac.uk

TIAP99 (extended dates)
by Osvaldo Goza Leon 08 Jan '99

08 Jan '99

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 Feb 1999 Author Notification 28 Feb 1999 Submission of Final Manuscript 15 March 1999 Notification of Final Acceptance 20 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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Additional Trust bursaries available
by Janet Ash 05 Jan '99

05 Jan '99

Apologies for multiple postings of this second message regarding further Trust bursaries ADDITIONAL BURSARIES AVAILABLE FROM THE CHEMICAL STRUCTURE ASSOCIATION TRUST In addition to the bursaries specifically for the Chemical Structures conference in Noordwijkerhout, the Chemical Structure Association Trust is offering £1000 for bursaries to assist with conference fees and/or travel for ANY conference in 1999 which is related to the aims of the Trust. The Trust is an internationally recognised registered Charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds. Eligible conferences include, but are not limited to: - Chemistry and the Internet conference to be held in Georgetown in September 1999 (http://www.chemint.org) - the annual International Chemical Information Conference to be held in Annecy in October 1999 (http://www.infonortics.com/chemical/index.html) - the ACS CINF and COMP Spring meeting in Anaheim or the Fall meeting in New Orleans (http://www.lib.uchicago.edu/~atbrooks/CINF/acs_upcoming.html and http://hackberry.chem.niu.edu:80/COMP/) Bursaries will be awarded on merit. Preference will be given to people who wish to submit a paper or poster at a conference and who are unable to meet their own conference expenses. To apply for a bursary, please send the following to Janet Ash <ash(a)euronet.nl> by 1st March 1999: 1. a brief biography 2. details of your current research work 3. details of which conference you wish to attend, giving the relevance to your current work 4. the title of any paper or poster that you wish to present 5. a letter of recommendation from a supervisor or colleague. ========================= Janet Ash Secretary to the Board of Trustees The Roundel, Frittenden Cranbrook, Kent TN17 2EP, UK Tel/Fax: +44(0)1580 852270 e-mail: ash(a)euronet.nl ========================= 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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Chemical Structure Association Trust Bursaries for Noordwijkerhout conference
by Janet Ash 05 Jan '99

05 Jan '99

Apologies for multiple postings BURSARIES for the 5th INTERNATIONAL CHEMICAL STRUCTURES CONFERENCE: The Chemical Structure Association Trust is offering £1000 for bursaries to assist with conference and accommodation fees for the 5th International Conference on Chemical Structures to be held in Noordwijkerhout, the Netherlands, 6th-10th June 1999. Bursaries will be awarded on merit, and preference will be given to people who wish to submit a paper or poster at the conference and who are unable to meet their own conference expenses. To apply for a bursary, please send a brief biography, details of your current research work, including the title of any paper or poster you wish to present, and a letter of recommendation from a supervisor or colleague to: Janet Ash <ash(a)euronet.nl> by 1st March 1999. The deadline for submission of abstracts for the conference is 15th January 1999 via the conference website at http://chemweb.com/conference/5ICCS/5ICCS.html The Chemical Structure Association Trust is an internationally recognised registered Charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds. Further information about the Trust is available at http://www.chemistry.de/CSA-TRUST/ ========================= Janet Ash Secretary to the Board of Trustees The Roundel, Frittenden Cranbrook, Kent TN17 2EP, UK Tel/Fax: +44(0)1580 852270 e-mail: ash(a)euronet.nl ========================= 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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Molecule (Reaction) of the Month: Reactions in Cavities
by Rzepa, Henry 04 Jan '99

04 Jan '99

Occasionally, we interject a Molecule of the Month of our own at Imperial College. To start the New year off with some chemistry, have a look at http://www.ch.ic.ac.uk/motm/cavities.html where we present the 3D structure recently determined for the famous Diels-Alderase, the first protein to have been shown to catalyse a pericyclic cycloaddition reaction, and we also include the anthracene-resorcinol cavitand, which forms cavities (by virtue of a H-bonded network) of the right size to catalyse a Diels Alder addition. Please also note the vastly improved analytic features of Chime 2.0, which include inter alia, measurement of bond distances, angles, torsions, and much much more. Finally (since all this comes in fact from a lecture course on Pericyclic reactions) please note the fascinating orbitals for Mobius benzene; http://www.ch.ic.ac.uk/local/organic/pericyclic/mob.3dmf (for which you will need a 3DMF plugin such as Quick3D) which I use to illustrate antarafacial components. 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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Molecule of the Month for January
by Paul May 01 Jan '99

01 Jan '99

Happy New Year! January's Molecule of the Month is cubane, and has been written by Beinn Muir, a student at Imperial College. The direct URL is: http://www.ch.ic.ac.uk/local/projects/b_muir/Enter.html or it can be accessed via the MOTM page at: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm 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> "Who would have thought learning to read & write would come in handy someday" Homer Simpson ------------------------------------------------------------------------- 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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1998 MDPI Prize Announcement
by Shu-Kun Lin 23 Dec '98

23 Dec '98

1998 MDPI Prize Announcement The first recipient of 1998 MDPI Prize is Dr. Jean-Pierre Vigneron from Paris, France. He is rewarded with this prize for his contribution in molecular diversity preservation by depositing a large number of chemical samples, many of them are natural products. The recipient will receive 3000 Swiss Francs and will be invited to visit Basel in 1999. The selection of recipient is carried out by discussions among the MDPI Foundation members. MDPI Prize will be announced every year to recognize the great efforts of chemists who significantly contributed to MDPI activities. Dr. Shu-Kun Lin President of MDPI Basel, 23 December 1998 --------------------------------------------------------- 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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Smart browsing technology
by newingto＠kodak.com 14 Dec '98

14 Dec '98

From: Ian Newington Does anyone know of any smart browsing technology out ther applied to chemistry journals? What I'm thinking about is something which will pick up not just my main interests, for which I can set up a standard search profile to run regularly, but for those other items that one picks up when browsing titles and abstracts. I would then get a result set that was much broader than I get from regular profiles and would still enable those all-important connections to be made which generate novel ideas but without having to trawl through an ever-increasing sea of chemistry journals. In the general field of news items Wisewire (www.wisewire.com) does this and Autonomy (www.agentware.com) have some neat software which is trainable to your interests. Has anyone applied this to chemistry yet? Ian Newington Kodak European R&D Tel: +44-(0)181-424-4451 FAX: +44-(0)181-424-5788 email: ian_newington(a)kodak.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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The disagreement with Springer on Molecules is settled
by Shu-Kun Lin 11 Dec '98

11 Dec '98

Hi, The disagreement with Springer on the journal Molecules (http://www.mdpi.org/molecules/) is settled. Dr. Shu-Kun Lin (MDPI) and Dr. Rainer Stumpe (Springer) met in Basel today, 11 December 1998, and agreed (both signed on a "Memorandum of Understanding") that the two journal "Molecules" and "Molecules Online" have different scope and can co-exist. Neither party will, in future, interfere in any way with the other's rights to publish their respective journal. Afterwards, Dr. Lin has no further claims against Springer-Verlag. MDPI's Molecules immediately resumed publication this afternoon. Thanks! Happy new year of 1999 to all of you! Shu-Kun --------------------------------------------------------- Dr. Shu-Kun Lin Editor-in-Chief, Molecules (ISSN 1420-3049) 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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Report on W3C Meeting, 8 December, London
by Rzepa, Henry 10 Dec '98

10 Dec '98

W3C, in case you did not know, is the World Wide Web Consortium, the body which manages Web standards. It has a UK office (one of 7 world wide) and this year, this office (at RAL) organised an open meeting to disseminate future developments. Lest you are wondering what the relevance to chemistry is, let me emphasize that as "small players", its essential we re-use generic technologies and methods in developing our own subject. What follows is a brief personal report of this meeting. 1) Jon Bosak on XML. XML is a data centric model (compared to HTML which might be described as a text-centric model). Jon emphasised that XML comes into its own with complex datasets, where data can be used in different ways, data with long life cycles, and data intended to drive scripts, Java, etc. All of which suits chemistry particularly well. He re-iterated the separation between data content, its structure and its presentation and how XML has been designed from the outset to achieve this separation. With this combination, Jon showed how online formatting of information will shortly be regarded as a superset of the print format. This will set the cat amongst the pigeons, since much of the chemistry community still regards "print" as the ultimate definer of "chemical knowledge". Jon concluded by describing how an association might be achieved between XML "elements" and application components, ie expressed as JavaBeans. He strongly recommended OASIS (Organisation for advancement of structured information standards; http://www.oasis-open.org/cover/ ). 2) Subsequent speakers developed the theme of the "document" as an application, and Reuters in particular showed how XML could play a vital role in their kind of business. Several presenters showed how a newspaper front page could be created from structured documents and applied styles. My thoughts turned to how an electronic journal article might be presented to the user in the context of how they might want to use it, as an alternative to the "house style". 3) Stu Weibel of OCLC (Mr metadata) empahasised the three "S" components, semantics, structure and syntax. Semantics is achieved via definitions such as the Dublin Core, structure via formalisms such as the RDF (Resource description framework) and Syntax using XML. RDF could eg be used to support XML conversions from one element set to another as a process for supporting inter-operability. Everything is pretty abstract at this level, and RDF is not in the "intuitive" category. 4) Other presenters showed how style sheets are evolving from 1st gen (CSS1) to second (CSS2) and how XSL (Extensible style sheets) used with XML could also be used to transform XML from one application to another. It was also noted that work on expressing HTML as an XML element set was well under way, ie HTML (5?) would in future be an implementation of XML. Mention was made of Internet Explorer 5.0, Netscape "GECKO" and Opera 3.5, the first two at least supporting XML. 5) There was an interesting presentation about Scalable Vector Graphics, and its intended role in replacing GIF images! SMIL is a multimdedia format with timelines etc for use in presentations; its more declarative than eg Macromedia director (ie relies less on use of scripts), although Microsoft have decided to go a different way with HTML-TIME. 6) Finally the BBC gave a presentation on the integration of digital broadcasting with the Web. The interesting concept of a URI (Uniform resource identifier) describing a time-dependent broadcast resource (ie a program) is something it seems we will have to get used to. 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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Call for bids: software for Molbank journal and/or lab notebook
by Shu-Kun Lin 10 Dec '98

10 Dec '98

Dear colleagues: Individual scientists or companies are invited to bid for supplying supporting software for MDPI electronic journals, particularly Molbank (ISSN 1422-8599, Vol. 1, 1999). Structure and spectrum display software developers are invited. The accepted supplier must have a demonstrated, working software based on Internet website browser. It will enable authors, manuscript referees and readers to upload (if permitted), download and view structural and spectroscopic as well as any other graphic numerical data and manipulate it on the internet comfortably. Visit http://www.ch.ic.ac.uk/ectoc/echet98/ for a perhaps the best example! For sample papers of Molbank, please visit the http://www.mdpi.org/molbank/indextemp.htm website. Molbank is the first chemistry journal preserving experimental data of individual compounds. It is evolved from the MolBank section of the journal Molecules. Structure and spectrum display software for Molbank journal must be a very promising product for electronic lab notebook. Therefore, Molbank will be regarded as an exhibition place for promoting your products. We will therefore not pay for any charge and will not collect any advertisement fee. The accepted provider will have the exclusive right of using its software within a period of 1 year. However, in order to promote fare competition and encourage innovation on software development, Molbank keeps its right to freely choose another software provider and switch to another software. Molbank will also publish the related software reviews, also free of charge. Please submit your proposal by e-mail to Dr. Shu-Kun Lin, Managing Editor, Molbank before the end of 1998. --------------------------------------------------------- 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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