Quantum physics predict chemical reactions

Sep 15, 2005

Purdue University scientists say chemists trying to predict how complex biological molecules react with others may soon get help from quantum physics.

Using supercomputers to analyze the interplay of electrons around such molecules, physicists led by Purdue's Jorge Rodriguez have found the quantum property of electrons called "spin" must be considered to obtain a complete picture of how many biochemical reactions take place.

In particular, a class of metal-based proteins -- including hemoglobin and chlorophyll -- and their reactions in plants and animals, can be better understood with the technique.

Rodriguez said the discovery could help scientists with a number of practical problems, such as selecting the best potential new drug compounds from a vast group of candidates, a process that can cost pharmaceutical companies years of work and millions of dollars.

"Whereas we have had to be satisfied with observing the chemistry in living things and describing it afterward without complete understanding, we are developing computational tools that can predict what will happen between molecules before they meet in the test tube," said Rodriguez, an assistant professor of physics.

Two papers on the subject appear in this week's issue of the Journal of Biological Chemistry.

Copyright 2005 by United Press International

Explore further: Finding faster-than-light particles by weighing them

add to favorites email to friend print save as pdf

Related Stories

The simplest element: Turning hydrogen into 'graphene'

Dec 16, 2014

New work from Carnegie's Ivan Naumov and Russell Hemley delves into the chemistry underlying some surprising recent observations about hydrogen, and reveals remarkable parallels between hydrogen and graphene ...

Recommended for you

Finding faster-than-light particles by weighing them

14 hours ago

In a new paper accepted by the journal Astroparticle Physics, Robert Ehrlich, a recently retired physicist from George Mason University, claims that the neutrino is very likely a tachyon or faster-than-light par ...

Controlling core switching in Pac-man disks

Dec 24, 2014

Magnetic vortices in thin films can encode information in the perpendicular magnetization pointing up or down relative to the vortex core. These binary states could be useful for non-volatile data storage ...

World's most complex crystal simulated

Dec 24, 2014

The most complicated crystal structure ever produced in a computer simulation has been achieved by researchers at the University of Michigan. They say the findings help demonstrate how complexity can emerge ...

Atoms queue up for quantum computer networks

Dec 24, 2014

In order to develop future quantum computer networks, it is necessary to hold a known number of atoms and read them without them disappearing. To do this, researchers from the Niels Bohr Institute have developed ...

New video supports radiation dosimetry audits

Dec 23, 2014

The National Physical Laboratory (NPL), working with the National Radiotherapy Trials Quality Assurance Group, has produced a video guideĀ to support physicists participating in radiation dosimetry audits.

User comments : 0

Please sign in to add a comment. Registration is free, and takes less than a minute. Read more

Click here to reset your password.
Sign in to get notified via email when new comments are made.