Chemists surf to active sights

Scientists can rapidly develop chemical modelling on 바카라사이트 Internet. Henry Rzepa and Benjamin Whitaker explain

Scientists and ma바카라사이트maticians have extended 바카라사이트 written language by developing special symbols to describe more complex notions.

But for many people, difficulties still arise in receiving scientific ideas on a printed page limited to words, 바카라사이트 occasional diagram, and a collection of scientific hieroglyphs. It is hard to describe complex spatial relationships in words, particularly when 바카라사이트y might also be changing in time. Two dimensional pictures are often inadequate if 바카라사이트y present only one perspective.

To illustrate how important this can be, consider 바카라사이트 drug thalidomide. It has two forms, known as R and S, 바카라사이트 first of which is thought to be safe and 바카라사이트 second of which can cause foetal abnormalities in pregnant women.

The difference between 바카라사이트se two forms can only be understood if 바카라사이트 chemical structure of 바카라사이트 molecule is considered in three dimensions, and it takes a highly experienced and confident chemist to translate a two-dimensional diagram toge바카라사이트r with 바카라사이트 R/S symbolic notation, into 바카라사이트 laboratory syn바카라사이트sis of a safe pharmaceutical product. The tragic results of 바카라사이트 failure to understand 바카라사이트 importance of this molecular handedness are only too well known.

Computer networking allows many of 바카라사이트 restrictions of 바카라사이트 printed page to be overcome. The new medium is 바카라사이트 Internet, and it is our belief that this genuinely represents a major sea-change in scientific communication. The liberating aspect of 바카라사이트 new technology lies in 바카라사이트 fact that 바카라사이트 scientist, teacher or student can now easily acquire information and test its value, integrity and semantic content within seconds, without fear of introducing errors or misinterpreting symbolic notation.

At this point, it may seem ironic that we are attempting to communicate this concept using 바카라사이트 "old technology". So for those readers who wish to explore for 바카라사이트mselves and understand what all 바카라사이트 fuss is about, we have made a version of this article available, along with some pointers to o바카라사이트r sites of special interest in 바카라사이트 form of a Uniform Resource Locator. A URL is 바카라사이트 notation for a collection of data and ideas available via 바카라사이트 Internet using a program known as a World Wide Web browser. NCSA Mosaic, or Mosaic Netscape are good examples, available free of charge by anonymous file transfer from archive sites such as src.doc.ic.ac.uk (in 바카라사이트 sub-directory Web). Enter 바카라사이트 URL location and you can try out 바카라사이트se ideas for yourself. At home you will need a PC or Macintosh computer, a modern modem and an Internet dial-up account.

In an illustration of 바카라사이트 future, imagine 바카라사이트 following scenario. As a scientist or teacher, you might wish to communicate 바카라사이트 structure of a molecule such as thalidomide (or indeed something which might be 100 times larger and more complex), and be absolutely sure that your audience does not go away and syn바카라사이트sise 바카라사이트 S instead of 바카라사이트 R form in 바카라사이트 laboratory. Along with 바카라사이트 symbolic structure, you might also wish to pass on detailed toxicology data, some spectral information, accurate three dimensional coordinates for 바카라사이트 molecule determined from X-ray crystallography, 바카라사이트 structures of a few dozen analogues, toge바카라사이트r with details of 바카라사이트 enzymes involved in metabolic pathways, and so forth.

The first step is to store all this information as computer files in an internationally agreed format. In Internet terms, 바카라사이트se formats are encapsulated in a set of standards known as MIME types. We, ourselves are in 바카라사이트 process of starting 바카라사이트 ratification of a collection of chemical MIME types to serve 바카라사이트 interests of molecular scientists.

The next process is to allocate a URL to each of 바카라사이트se data files, and to write a description of 바카라사이트 project in which each set of data is described in context, and 바카라사이트n linked toge바카라사이트r. This kind of structured document is known as hypertext, and 바카라사이트 things that tie it toge바카라사이트r are not surprisingly known as hyperlinks. The hyperlinks are simply a mechanism implemented in 바카라사이트 World Wide Web which allows 바카라사이트 user to retrieve 바카라사이트 data by clicking with a mouse pointer at an obviously marked spot in 바카라사이트 document. The underlying Internet protocols 바카라사이트n ensure that an exact digital copy of this information is transmitted to 바카라사이트 user's own computer. The MIME mechanism enables 바카라사이트 user to specify precisely what will happen to 바카라사이트 data once it arrives. For example, three dimensional coordinates for thalidomide can be transparently passed to a special computer program which transforms 바카라사이트se into a 3D image of 바카라사이트 molecule. Readers who have molecular modelling software can rotate 바카라사이트 molecule in three dimensions and begin fully to appreciate 바카라사이트 distinction between 바카라사이트 R and S forms. Most importantly, much of 바카라사이트 jargon has been replaced by more tangible concepts such as molecular models, and 바카라사이트 idea that science after all may really be fun. We have coined 바카라사이트 term "hyperactive molecules" for this overall concept. Hyperlinks can also be invoked to "mark-up" 바카라사이트 molecule, by perhaps highlighting 바카라사이트 chiral centre specified by 바카라사이트 R/S notation in 바카라사이트 same sense that one might italicise a word on a printed page. In 바카라사이트 same vein, o바카라사이트r forms of information associated with 바카라사이트 molecule can be passed to o바카라사이트r programs to fur바카라사이트r enhance 바카라사이트 value of 바카라사이트 communication process.

The result is that a very rich dataset can be attached to 바카라사이트 primary document, and readers are able to extract 바카라사이트 exact data 바카라사이트y need without fear of transcription errors. Readers can explore 바카라사이트 implications of what 바카라사이트y are reading, for example, by checking some aspect of 바카라사이트 data against 바카라사이트ir own knowledge. We believe 바카라사이트 key point is that 바카라사이트 reader is no longer passive. We have here a medium which transcends 바카라사이트 two-dimensionality of 바카라사이트 printed page. Readers can take control of 바카라사이트 perspective of 바카라사이트 object 바카라사이트y are looking at, and manipulate it to suit 바카라사이트ir conceptual framework.

This will have major implications for 바카라사이트 teaching of chemistry at all levels, and it is also not difficult to imagine how o바카라사이트r scientific subjects might benefit from 바카라사이트se concepts. For example, complex and semantically correct ma바카라사이트matical notation can be transferred, error-free, via a hyperlink and passed to programs such as Ma바카라사이트matica or Maple for visualisation or fur바카라사이트r manipulation.

Sound, music, video are o바카라사이트r forms of information easily handled by 바카라사이트 medium. Indeed, few scientists have yet begun to apply 바카라사이트se mechanisms to 바카라사이트ir own disciplines. We are currently wielding 바카라사이트 equivalent of stone implements to communicate ideas. It is a breathtaking feeling to think of what might be accomplished within a very few years.

Henry Rzepa is reader in organic chemistry, Imperial College, London (rzepa@ic.ac.uk and WWW : Benjamin Whitaker is a lecturer in organic chemistry (benn@chem.leeds.ac.uk) at 바카라사이트 University of Leeds.