March 2000 - chemweb - imperial.ac.uk

April MOTM
by Paul May 31 Mar '00

31 Mar '00

Hi, April's Molecule of the Month is Melatonin, and has been written by Salinthip Thipayang, a student at Imperial College London who wrote the page as part of a Chemical IT course. Only a Chime version is available for now, but the Chime structure only appears on the first page so the rest of it can be read without Chime, as normal. It is quite timely, as it serves as an example of the sort of web-based student project that would make a good entry in the RSC ExemplarChem competition (http://www.chemsoc.org/exemplarchem/home.htm) that Henry mentioned last week. Molecule of the Month: 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> Home URL: <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> Molecule of the Month: <http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm> ------------------------------------------------------------------------------ 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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theses project needs your help
by Michael Engel 29 Mar '00

29 Mar '00

Hello This message is cross-posted to 4 lists (PIUG-L, Chemweb, CHMINF and CHEM-HIST), please use the delete key to avoid reading this message several times. Hopefully, the results of this request may later help you too. I often find that doctoral theses are a huge source of good ideas, already done work, well-done literature overview, etc. For which reasons I don't know, a lot of such work is unpublished. I would like to read more often in theses, so I need to search theses and later need to get a copy. For some countries, I know how to do this, for others I don't. But there are many of you who have a lot of knowledge. My idea is now to combine this knowledge and to make (searching) life easier. But for this idea, I would need your help - please share your knowledge and your links with me and the world. Thank you very much for your contribution. You will find the project on the following page http://www.mkengel.de/thesis/thesis.htm Please don't expect miracles, I'll do this in my spare time. Best regards Michael 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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MDPI news release: Int. J. Mol. Sci. (http://www.mdpi.org/ijms/) Vol. 1, 2000 Issue 1 Released
by Shu-Kun Lin 29 Mar '00

29 Mar '00

(Exculse me for sending to many mailing lists) MDPI launched one more new journal International Journal of Molecular Sciences (ISSN 1422-0067) at the http://www.mdpi.org/ijms website. The background regarding IJMS is at http://www.mdpi.org/ijms/htm/i1010003.htm. Access to the IJMS online edition is FREE. Please obtain your free and unique userID and password from ijms_request(a)mdpi.org (put "free subscription" as the subject title and your name and address in the text of your e-mail). A "Call for Papers to the IJMS" message as a pdf can be downloaded at http://www.mdpi.org/ijms/ijmsadvert.pdf. Shu-Kun -- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland Tel. +41 79 322 3379, Fax +41 61 302 8918 E-mail: lin(a)mdpi.org http://www.mdpi.org/lin/ 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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Internet orbital art
by Rzepa, Henry 28 Mar '00

28 Mar '00

On a light note, we recently generated lots of unusually shaped molecular orbital images, some of which we thought we would share with the community! The start of our collection is at http://www.ch.ic.ac.uk/photomo/ I challenge people to identify the molecules (1 is a figment of my fevered imagination, although it may exist in outer space, 2 was recently proposed in the literature). If anyone knows of other interesting orbitals out there, do pass the information on. If I find the time, I may work this lot up into a "orbital of the month" contribution to the "Molecules of the Month" pages edited by Paul May. -- Henry Rzepa. +44 (0)20 7594 5774 (Office) +44 (0)20 7594 5804 (Fax) Dept. Chemistry, Imperial College, London, SW7 2AY, UK. http://www.ch.ic.ac.uk/rzepa/ 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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MOLECULES and other online-only chemistry journals are promising
by Shu-Kun Lin 27 Mar '00

27 Mar '00

(Excuse me for sending to several mailing lists) If one checks the online-only chemistry journals monitored by CAS (http://info.cas.org/EO/ejourn2.html) you would find that many of them have been able to publish only a small number of papers every year. Online journal editors, do not give up. MOLECULES now continuously publishes "thick" issues this year. Its vol.5 issue 3 (March 2000, pages 200-636) just released has 437 pages (http://www.mdpi.org/molecules/list00.htm#new) We publish many more papers recently and publish very quickly after peer reviewing procedure. (A long list of referees who helped evaluating manuscripts will be published soon.) Contributions of manuscripts are welcomed. I would like to acknowledge that this is the achievements of the Assistant Editor Dr. Derek J. McPhee (e-mail: mcphee(a)mdpi.org) who carefully and promptly handled many manuscripts, and the Production Editor Dr. Andrey Gutnov (e-mail: gutnov(a)mdpi.org) who did layout and final pdf files generation. Could you please help us by listing our journal MOLECULES (http://www.mdpi.org/molecules/) on your website and recommend it to your colleagues? Shu-Kun Lin Managing Editor, MOLECULES (ISSN 1420-3049) E-mail: lin(a)mdpi.org Dr. Shu-Kun Lin, President of MDPI Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland Tel. +41 79 322 3379, Fax +41 61 302 8918 E-mail: lin(a)mdpi.org http://www.mdpi.org/lin/ 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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your help
by chen zhongping 27 Mar '00

27 Mar '00

Dear friend, I need your help. Recently, I applied for a position. It has some thing to do with waste water treatment. Please read the materail below and give me some your ideas about how to apply this technology to your country. And what do you think of this technology. Because the employer's question is to think how to market this kind of technology into China. You sure are unfamiliar with China. So you just tell me if you are the one who answers this question, then how will you market this technology into your country. Thank you very much in advance. BTW: I will meet the employer this Thursday. So plz give me your comments as soon as possible. Multistage Activated Biological Process Multistage activated biological process (MSABP) is an advanced innovative method of domestic and industrial waste water treatment based on spatial microorganisms successions and trophic hydrobionts chains. A spatially segregated trophic microorganisms chain provides for conditions at which microbes are eaten up by primary microorganisms while the later are eaten by higher organized vulture filtrators of different trophic levels. Such a spatial microorganisms succession implies purification by means of aerobic and anaerobic destructor microorganisms together with conventional copiotrophs and oligotrophs providing for high purification of waste water from organic and inorganic impurities. Fields of Application The MSABP method is designed for high purification of domestic and industrial waste water contaminated by a broad variety of organic and inorganic compounds and can be applied to construction of new purifying facilities and reconstruction of existing ones in order to raise their productivity and level of purification. The main fields of application of the new method are: 1. Cities and settlements 2. Hotels and motels 3. Industries: ・ food ・ chemical ・ pharmaceutical ・ petrochemical ・ cosmetic ・ woodworking -2- Process Description The technological purification process is continuous and comprises the following systems and facilities: 1. Mechanical purification system. 2. Air preparation and feeding unit. 3. Bioreactor for intensive and final purification. 4. Disinfecting unit. Waste water is fed to the mechanical purification system for elimination of sand and coarse mechanical impurities with settling velocity exceeding 20 mm/s

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An Internet-based exhibition of exemplary project work in chemistry
by Rzepa, Henry 24 Mar '00

24 Mar '00

Dear all, I would like to announce ExemplarChem: An Internet-based exhibition of exemplary project work in chemistry http://www.chemsoc.org/exemplarchem/home.htm It is becoming increasingly common nowadays for University level students to express their course, lab and project work using eg Word, PowerPoint, or indeed Web-based HTML. Some of this student work is truly exemplary, and could form the basis of inspiration for others, and bring edification and joy to many more than would normally get to see such work. The Royal Society of Chemistry and an advisory committee (currently myself, Paul May of Bristol and Karl Harrison of Oxford) invites (for the time being) UK based departments in molecular sciences and chemistry to participate in creating an exhibition of such project work. We would hope that each department could nominate up to five such projects for participation in an Internet-based national "exhibition" during the summer of 2000, culminating an an awards ceremony in late September when prizewinners in various categories will be announced, together with talks given by prominent chemists and an opportunity to "mingle". Specific details of the scheme, the awards ceremony etc will appear at the project Web site, given above. I note here that the first stage is to invite people who whish to act as local organisers/nominators, to contact the RSC to express their interest in participating. I should briefly note some guidelines for the projects. Nominations from all levels of undergraduate chemistry are welcome (ie first year, final year etc). The prime consideration is that the student has prepared some "exemplary" chemistry which is effectively presented and could be mounted on a Web server. All areas of molecular sciences are welcome, although we do expect some specific areas will be sponsored by external sponsors (to be announced). So that people have some idea of what to expect, can I point you to the "Molecules of the month" pages at Bristol; http://www.bris.ac.uk/Depts/Chemistry/MOTM/motm.htm Several of the recent projects there were in fact derived from undergraduate projects (ie December 1999), and are of the sort of quality we hope to attract to Exemplarchem. I emphasize that ExemplarChem is NOT just about molecules, but can be more general, and deal also with the physical sciences, interdisciplinary areas etc. -- Henry Rzepa. +44 (0)20 7594 5774 (Office) +44 (0)20 7594 5804 (Fax) Dept. Chemistry, Imperial College, London, SW7 2AY, UK. http://www.ch.ic.ac.uk/rzepa/ 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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[Fwd: Fujitsu Acquires CAChe® Suite of Molecular Modelling Software from Oxford Molecular Group]
by Dr. Wendy A. Warr 21 Mar '00

21 Mar '00

FYI -- 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

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New Video lecture by Ian Fleming
by Rzepa, Henry 13 Mar '00

13 Mar '00

We are delighted to announce a new chemistry video lecture, by Ian Fleming from the University of Cambridge, on "Stereo Control in Organic Synthesis using Silicon Compounds" Its at http://www.ch.ic.ac.uk/video/ (or directly at http://www.ch.ic.ac.uk/video/fleming/ ) We also introduce the use of SVG graphics, to allow the best possible resolution for the lecture slides. You will need an SVG plugin (and eg Chime/Chem3D) to take full advantage of the lecture. We will also shortly introduce a SMIL (Synchronised Multimedia Integration Langauge) version, once one particularly difficult bug is resolved. -- Henry Rzepa. +44 (0)20 7594 5774 (Office) +44 (0)20 7594 5804 (Fax) Dept. Chemistry, Imperial College, London, SW7 2AY, UK. http://www.ch.ic.ac.uk/rzepa/ 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 and SMIL
by Rzepa, Henry 06 Mar '00

06 Mar '00

SMIL is an XML language for Synchronised Multimedia Integration. Put at its simplest, its a very basic HTML (really XHTML) with time codes built in. As with any good markup language, all you really need to write it is a text editor (although custom programs for the purpose do exist). To demonstrate a little of what it can be used for, take a look at http://www.ch.ic.ac.uk/video/barrett/barrett_qt.smil This URL must be entered into a SMIL player. Currently, these are dedicated programs (rather than Web browsers) such as Quicktime Player, RealPlayer or Windows Media player (links for getting these at http://www.ch.ic.ac.uk/video/ ) Using Quicktime 4.1 (earlier versions do not work), enter the above URL. You can also try http://www.ch.ic.ac.uk/video/barrett/barrett_rp.smil in RealPlayer etc. Since the best way of learning is by example, I include the entire source code below. As with any new technology, there are limitations. Thus early in the Web, chemical MIME types were used to transclude chemical content, and chemical plugins and Java components were developed for the purpose. Media players such as those noted above do NOT support such chemical content. It appears that one cannot gain access to the chemical MIME types by invoking SMIL in a browser either (Quicktime plugin does not appear to support the SMIL media type). The solution here is to use the power of XML: watch this space for a demo shortly. ====================================================== <smil> <head> <meta name="Title" content="Novel Polymers, Novel Linkers and Novel Transformations in Parallel Synthesis" /> <meta name="Author" content="AGM Barrett and HS Rzepa" /> <meta name="Description" content="Combinatorial Chemistry" /> <meta name="Copyright" content="(c) AGM Barrett and HS Rzepa" /> <meta name="Base" content=""/> <layout> <root-layout id="1.smil" width="690" height="360" background-color="black" title="Barrett" /> <region id="movie" left="0" top="0" width="128" height="96" z-index="1" background-color="black" fit="fill" /> <region id="slide" left="150" top="0" width="540" height="360" z-index="1" background-color="black" fit="fill" /> <region id="search" left="0" top="160" width="140" height="50" z-index="1" background-color="black" /> <region id="text" left="0" top="210" width="140" height="300" z-index="1" background-color="black" /> </layout> </head> <body> <par> <img src="images/0.gif" region="slide" begin="1:24m" end="3:03m" /> <img src="images/1.gif" region="slide" begin="3:05m" end="6:10m" /> <img src="images/2.gif" region="slide" begin="6:12m" end="7:52m" /> <img src="images/3.gif" region="slide" begin="7:53m" end="9:35m" /> <img src="images/4.gif" region="slide" begin="9:36m" end="11:12m" /> <img src="images/5.gif" region="slide" begin="11:13m" end="13:46" /> <img src="images/6.gif" region="slide" begin="13:47m" end="17:50m" /> <img src="images/7.gif" region="slide" begin="17:51m" end="18:21m" /> <img src="images/8.gif" region="slide" begin="18:23m" end="19:54m" /> <img src="images/9.gif" region="slide" begin="19:55m" end="20:20m" /> <img src="images/10.gif" region="slide" begin="20:21m" end="20:59m" /> <img src="images/11.gif" region="slide" begin="21:00m" end="21:23m" /> <img src="images/12.gif" region="slide" begin="21:24m" end="21:57m" /> <img src="images/13.gif" region="slide" begin="21:58m" end="22:38m" /> <img src="images/14.gif" region="slide" begin="22:39m" end="23:02m" /> <img src="images/15.gif" region="slide" begin="23:03m" end="23:45m" /> <img src="images/16.gif" region="slide" begin="23:46m" end="25:56m" /> <img src="images/17.gif" region="slide" begin="25:57m" end="27:20m" /> <img src="images/18.gif" region="slide" begin="27:21m" end="29:41m" /> <img src="images/19.gif" region="slide" begin="27:42m" end="30:19m" /> <img src="images/20.gif" region="slide" begin="30:20m" end="32:48m" /> <img src="images/21.gif" region="slide" begin="32:49m" end="34:14m" /> <img src="images/22.gif" region="slide" begin="34:15m" end="35:20m" /> <img src="images/23.gif" region="slide" begin="35:21m" end="36:26m" /> <img src="images/24.gif" region="slide" begin="36:27m" end="37:18m" /> <img src="images/25.gif" region="slide" begin="37:19m" end="38:26m" /> <img src="images/26.gif" region="slide" begin="38:27m" end="38:47m" /> <img src="images/27.gif" region="slide" begin="38:48m" end="39:25m" /> <img src="images/28.gif" region="slide" begin="39:26m" end="40:12m" /> <img src="images/29.gif" region="slide" begin="40:13m" end="42:10m" /> <img src="images/30.gif" region="slide" begin="42:11m" end="42:59m" /> <img src="images/31.gif" region="slide" begin="43:00m" end="44:07m" /> <img src="images/32.gif" region="slide" begin="44:08m" end="45:20m" /> <img src="images/33.gif" region="slide" begin="45:21m" end="45:51m" /> <img src="images/34.gif" region="slide" begin="45:52m" /> <animation src="barrett.mov" region="movie" begin="0:00m" /> <a href="http://www.ch.ic.ac.uk/video/barrett/jobjects/qascript.htm" ><text src="2.txt" type="text/plain" region="search" begin="0:00m" /></a> <text src="date.txt" type="text/plain" region="text" begin="0:00m" /> </par> </body> </smil> -- Henry Rzepa. Imperial College, Chemistry Dept. +44 171 594 5774 (Office) +44 171 594 5804 (Fax) 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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