Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Quantum biology -- Powerful computer models reveal key biological mechanism

18.01.2007
Using powerful computers to model the intricate dance of atoms and molecules, researchers at Rensselaer Polytechnic Institute have revealed the mechanism behind an important biological reaction.

In collaboration with scientists from the Wadsworth Center of the New York State Department of Health, the team is working to harness the reaction to develop a "nanoswitch" for a variety of applications, from targeted drug delivery to genomics and proteomics to sensors.

The research is part of a burgeoning discipline called "quantum biology," which taps the skyrocketing power of today's high-performance computers to precisely model complex biological processes. The secret is quantum mechanics -- the much-touted theory from physics that explains the inherent "weirdness" of the atomic realm.

Reporting in the February 2007 issue of Biophysical Journal, the researchers describe a mechanism to explain how an intein -- a type of protein found in single-celled organisms and bacteria -- cuts itself out of the host protein and reconnects the two remaining strands. The intein breaks a protein sequence at two points: first the N-terminal, and then the C-terminal. This aspect of the project, which is led by Saroj Nayak, associate professor of physics, applied physics, and astronomy at Rensselaer, focuses on the C-terminal reaction.

Another Rensselaer team previously found that the reaction at the C-terminal speeds up in acidic environments. But to control the reaction and use it as a nanoswitch, a better understanding of the mechanism behind this reaction is needed, according to Philip Shemella, a doctoral student in physics at Rensselaer and corresponding author of the current paper.

"You can use this protein that cuts itself and joins the pieces together in a predictable way," he said. "It already has a function that would be nice to harness for nanotechnology purposes." And because the reaction may be sensitive to light and other environmental stimuli, the process could become more than just a two-way switch between "on" and "off."

The researchers revealed the details of the reaction mechanism by applying the principles of quantum mechanics -- a mathematical framework that describes the seemingly strange behavior of the smallest known particles. For example, quantum mechanics predicts that an electron can be in two different places at the same time; or that an imaginary cat can be simultaneously dead and alive, as suggested by one famous thought experiment.

Until recently, scientists could not apply quantum mechanics to biological systems because of the large numbers of atoms involved. But the latest generation of supercomputers, along with the development of efficient mathematical tools to solve quantum mechanical equations, is making these calculations possible, according to Shemella.

"Typically, quantum mechanics has been applied to solid-state problems because the symmetry makes the calculation smaller and easier, but there's really nothing different physically between a carbon atom in a protein and a carbon atom in a nanotube," he said. "Even though a protein is such an asymmetric, complex system, when you really zoom into the quantum mechanical level, they are just atoms. It doesn't matter if strange things are happening; it's still just carbon, nitrogen, hydrogen, and oxygen."

Quantum mechanics allows researchers to do things that can't be done with classical physics, such as modeling the way chemical bonds break and form, or including the effect of proton "tunneling" -- allowing protons to move through energy barriers that normal logic would deem impossible.

For this project, the researchers used computing facilities at Rensselaer's Scientific Computation Research Center (SCOREC) and the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign. In the future, they hope to take advantage of Rensselaer's new Computational Center for Nanotechnology Innovations -- a $100 million partnership between Rensselaer, IBM, and New York state to create one of the world's most powerful university-based supercomputing centers.

The additional computing power will allow them to model complex biological systems with even greater accuracy: "The more atoms you include, the more accurate your system," Shemella said.

Jason Gorss | EurekAlert!
Further information:
http://www.rpi.edu

More articles from Physics and Astronomy:

nachricht First Juno science results supported by University of Leicester's Jupiter 'forecast'
26.05.2017 | University of Leicester

nachricht Measured for the first time: Direction of light waves changed by quantum effect
24.05.2017 | Vienna University of Technology

All articles from Physics and Astronomy >>>

The most recent press releases about innovation >>>

Die letzten 5 Focus-News des innovations-reports im Überblick:

Im Focus: Can the immune system be boosted against Staphylococcus aureus by delivery of messenger RNA?

Staphylococcus aureus is a feared pathogen (MRSA, multi-resistant S. aureus) due to frequent resistances against many antibiotics, especially in hospital infections. Researchers at the Paul-Ehrlich-Institut have identified immunological processes that prevent a successful immune response directed against the pathogenic agent. The delivery of bacterial proteins with RNA adjuvant or messenger RNA (mRNA) into immune cells allows the re-direction of the immune response towards an active defense against S. aureus. This could be of significant importance for the development of an effective vaccine. PLOS Pathogens has published these research results online on 25 May 2017.

Staphylococcus aureus (S. aureus) is a bacterium that colonizes by far more than half of the skin and the mucosa of adults, usually without causing infections....

Im Focus: A quantum walk of photons

Physicists from the University of Würzburg are capable of generating identical looking single light particles at the push of a button. Two new studies now demonstrate the potential this method holds.

The quantum computer has fuelled the imagination of scientists for decades: It is based on fundamentally different phenomena than a conventional computer....

Im Focus: Turmoil in sluggish electrons’ existence

An international team of physicists has monitored the scattering behaviour of electrons in a non-conducting material in real-time. Their insights could be beneficial for radiotherapy.

We can refer to electrons in non-conducting materials as ‘sluggish’. Typically, they remain fixed in a location, deep inside an atomic composite. It is hence...

Im Focus: Wafer-thin Magnetic Materials Developed for Future Quantum Technologies

Two-dimensional magnetic structures are regarded as a promising material for new types of data storage, since the magnetic properties of individual molecular building blocks can be investigated and modified. For the first time, researchers have now produced a wafer-thin ferrimagnet, in which molecules with different magnetic centers arrange themselves on a gold surface to form a checkerboard pattern. Scientists at the Swiss Nanoscience Institute at the University of Basel and the Paul Scherrer Institute published their findings in the journal Nature Communications.

Ferrimagnets are composed of two centers which are magnetized at different strengths and point in opposing directions. Two-dimensional, quasi-flat ferrimagnets...

Im Focus: World's thinnest hologram paves path to new 3-D world

Nano-hologram paves way for integration of 3-D holography into everyday electronics

An Australian-Chinese research team has created the world's thinnest hologram, paving the way towards the integration of 3D holography into everyday...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

Event News

Marine Conservation: IASS Contributes to UN Ocean Conference in New York on 5-9 June

24.05.2017 | Event News

AWK Aachen Machine Tool Colloquium 2017: Internet of Production for Agile Enterprises

23.05.2017 | Event News

Dortmund MST Conference presents Individualized Healthcare Solutions with micro and nanotechnology

22.05.2017 | Event News

 
Latest News

How herpesviruses win the footrace against the immune system

26.05.2017 | Life Sciences

Water forms 'spine of hydration' around DNA, group finds

26.05.2017 | Life Sciences

First Juno science results supported by University of Leicester's Jupiter 'forecast'

26.05.2017 | Physics and Astronomy

VideoLinks
B2B-VideoLinks
More VideoLinks >>>