KARPLUS, LEVITT, WARSHEL WIN 2013 NOBEL CHEMISTRY PRIZE

KARPLUS, LEVITT, WARSHEL WIN

 2013 NOBEL CHEMISTRY PRIZE

The Nobel prize in chemistry was on Wednesday awarded by the Royal Swedish Academy of Sciences jointly to Martin Karplus (Harvard University),Michael Levitt (Stanford School of Medicine)  and  Arieh Warshel (University of Southern California) "for the development of multi-scale models for complex chemical systems".The fact that scientists these days can use computers to carry out experiments has yielded a much deeper understanding of how chemical processes play out. Computer models mirroring real life have become crucial for most advances made in chemistry today. Chemists earlier used to create models of molecules using plastic balls and sticks. Today, the modelling is carried out in computers.

In the 1970s, Martin Karplus, Michael Levitt and Arieh Warshel laid the foundation for the powerful programs that are used to understand and predict chemical processes.The strength of the methods that Karplus, Levitt and Warshel have developed is that they are universal. They can be used to study all kinds of chemistry; from the molecules of life to industrial chemical processes. Scientists can optimize solar cells, catalysts in motor vehicles or even drugs, to take but a few examples.Experts say the work of Karplus, Levitt and Warshel is ground-breaking because they managed to make Newton's classical physics work side-by-side with the fundamentally different quantum physics. Previously, chemists had to choose to use either or.

The strength of classical physics was that calculations were simple and could be used to model really large molecules. Its weakness, it offered no way to simulate chemical reactions.
For that purpose, chemists instead had to use quantum physics.But such calcula-tions required enormous computing power and could therefore only be carried out for small molecules.RSAS said "This year's Nobel Laureates in chemistry took the best from both worlds and devised methods that use both classical and quantum physics. For instance, in simu-lations of how a drug couples to its target protein in the body, the computer performs quantum theoretical calculations on those atoms in the target protein that interact with the drug.  The rest of the large protein is simulated using less demanding classical physics. Today the computer is just as important a tool for chemists as the test tube. Simulations are so realistic that they predict the outcome of traditional experiments".Progress will not stop there, however.

In one of his publications, Levitt recently wrote about one of his dreams: to simulate a living organism on a molecular level.RSAS said "It is a tantalizing thought. The computer models that have been developed by the three Nobel laureates are powerful tools. Exactly how far they can advance our knowledge is for the future to decide".RSAS said that chemical reactions occur at lightning speed - electrons jump between atomicnuclei, hidden from the prying eyes of scientists.

The Nobel laureates in chemistry 2013 have made it possible to map the mysterious ways of chemistry by using computers. Detailed knowledge of chemical processes makes it possible to optimize catalysts, drugs and solar cells.Reacting after getting the prize, professor Warshel said "I feel extremely well."He added "What we have done is to develop method that allows how proteins actually work. In short we developed a way which requires computer to look at the exact structure of a human body and then understand how exactly it does what it does. For me it was to satisfy curiosity".

Professor Warshel said he is now working on using simple quantum molecular mechanism to see how bodies transfer signals into cells and also understand how complex molecules actually work.So what is so special about the computer programs that now are awarded with the Nobel prize in chemistry?Previously when scientists wanted to simulate molecules on computers, they had software at their disposal that was based upon either classical Newtonian physical theories or quantum physics. Both had their strengths and weaknesses. The classical programs could calculate and process large chemical molecules. They would only display molecules in a state of rest, but gave chemists a good representation of how the atoms were positioned in the molecules. However, you could not use these programs to simulate chemical reactions. During the reaction, the molecules are filled with energy; they become excited.

Classical physics simply have no understanding for such states and that is a severe limitation.When scientists wanted to simulate chemical reactions, they had to turn to quantum physics; the dualistic theory where electrons can be both particles and waves simultaneously.RSAS said "So, classical and quantum chemistry were two fundamentally different, and in some respects rival-ling, worlds. But the Nobel Laureates in Chemistry 2013 have opened a gate between these two worlds"."With the help of the methods that Karplus, Levitt and Warshel began to develop in the 1970s, they examined every tiny little step in complex chemical processes that are invisible to the naked eye," RSAS permanent secretary professor Staffan Normark said.RSAS added "In order for you get an idea of how mankind can benefit from this, we can give an example - creating artificial photosyn-thesis. The chemical reaction occurring in green leaves fills the  atmosphere with oxygen and is one prerequisite for life on Earth. But it is also interesting from an environmental perspective. If you can mimic the photosynthesis you will be able create more efficient solar cells. When water molecules are split oxygen is created, but also hydrogen that could be used to power our vehicles. So there is ample reason for you to get engaged in this project. If you succeed, you could contribute to solving the problem with greenhouse effect".

രാസപ്രകിയകളുടെ സങ്കീര്‍ണത കമ്പ്യൂട്ടര്‍ മാതൃകാപഠനം വഴി മനസിലാക്കാന്‍ വഴി തുറന്ന മൂന്ന് ഗവേഷകര്‍ 2013 ലെ രസതന്ത്രത്തിനുള്ള നൊബേല്‍ പുരസ്‌കാരം പങ്കിട്ടു. സ്റ്റാന്‍ഫഡ് സര്‍വകലാശാലയിലെ ബ്രിട്ടീഷ്-യു.എസ്.ഗവേഷകനായ മൈക്കല്‍ ലെവിറ്റ്, സ്ട്രാസ്ബര്‍ഗ് സര്‍വകലാശാലയിലെ യു.എസ്-ഓസ്ട്രിയന്‍ ശാസ്ത്രജ്ഞന്‍ മാര്‍ട്ടിന്‍ കാല്‍പ്ലസ്, സതേണ്‍ കാലിഫോര്‍ണിയ സര്‍വകലാശാലയിലെ യു.എസ്-ഇസ്രയേലി ഗവേഷകനായ അരിയേ വാര്‍ഷെല്‍ എന്നിവരാണ് പുരസ്‌കാരം പങ്കിട്ടത്. 'രാസപരീക്ഷണത്തെ സൈബര്‍ സ്‌പേസിലെത്തിച്ച' മൂന്ന് ശാസ്ത്രജ്ഞരാണ് ഇത്തവണ നൊബേല്‍ പുരസ്‌കാരം നേടിയത്.

'കമ്പ്യൂട്ടറുകളുടെ സഹായത്തോടെ രസതന്ത്രത്തിന്റെ നിഗൂഢമാര്‍ഗങ്ങള്‍ അനാവരണം ചെയ്യുന്നത് സാധ്യമാക്കിവരാണ് 2013 ലെ രസതന്ത്രത്തിനുള്ള നൊബേല്‍ നേടിയവര്‍'- നൊബേല്‍ കമ്മറ്റി വിലയിരുത്തി. 'രസതന്ത്രജ്ഞരെ സംബന്ധിച്ച് ടെസ്റ്റ്ട്യൂബ് പോലെ പ്രധാനപ്പെട്ടതാണ് ഇന്ന് കമ്പ്യൂട്ടറും. രാസപ്രക്രിയകളുടെ വിശദാംശങ്ങള്‍ വഴി രാസത്വരകങ്ങളെ പരമാവധി പ്രയോജനപ്പെടുത്താനും, പുതിയ ഔഷധങ്ങള്‍ രൂപപ്പെടുത്താനും, സോളാര്‍ സെല്ലുകള്‍ രൂപപ്പെടുത്താനും വഴി തുറന്നു'. കമ്പ്യൂട്ടര്‍ മാതൃകാപഠനങ്ങള്‍ വഴി പരീക്ഷണങ്ങളെയും സൈദ്ധാന്തിക വശങ്ങളെയും പരസ്പരം ബന്ധിപ്പിക്കാനുള്ള അടിത്തറ പണിയുകയാണ് നൊബേല്‍ ജേതാക്കള്‍ ചെയ്തത്. പുതിയ ഔഷധങ്ങള്‍ രൂപപ്പെടുത്താനുള്ള ഉള്‍ക്കാഴ്ച്ചയാണ് അതിന്റെ ഫലമായി ലഭിച്ചത്.

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