Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Syracuse University chemist develops technique to use light to predict molecular crystal structures

24.03.2011
A Syracuse University chemist has developed a way to use very low frequency light waves to study the weak forces (London dispersion forces) that hold molecules together in a crystal. This fundamental research could be applied to solve critical problems in drug research, manufacturing and quality control.

The research by Timothy Korter, associate professor of chemistry in SU's College of Arts and Sciences, was the cover article of the March 14 issue of Physical Chemistry Chemical Physics. The journal, published by the Royal Society of Chemistry, is one of the most prestigious in the field. A National Science Foundation Early Career Development (CAREER) Award funds Korter's research.

"When developing a drug, it is important that we uncover all of the possible ways the molecules can pack together to form a crystal," Korter says. "Changes in the crystal structure can change the way the drug is absorbed and accessed by the body."

One industry example is that of a drug distributed in the form of a gel capsule that crystallized into a solid when left on the shelf for an extended period of time, Korter explains. The medication inside the capsule changed to a form that could not dissolve in the human body, rendering it useless. The drug was removed from shelves. This example shows that it is not always possible for drug companies to identify all the variations of a drug's crystal structure through traditional experimentation, which is time consuming and expensive.

"The question is," Korter says, "can we leverage a better understanding of London and other weak intermolecular forces to predict these changes in crystal structure?"

Korter's lab is one of only a handful of university-based research labs in the world exploring the potential of THz radiation for chemical and pharmaceutical applications. THz light waves exist in the region between infrared radiation and microwaves and offer the unique advantages of being non-harmful to people and able to safely pass through many kinds of materials. THz can also be used to identify the chemical signatures of a wide range of substances. Korter has used THz to identify the chemical of signatures of molecules ranging from improvised explosives and drug components to the building blocks of DNA.

Korter's new research combines THz experiments with new computational models that accurately account for the effects of the London dispersion forces to predict crystal structures of various substances. London forces are one of several types of intermolecular forces that cause molecules to stick together and form solids. Environmental changes (temperature, humidity, light) impact the forces in ways that can cause the crystal structure to change. Korter's research team compares the computer models with the THz experiments and uses the results to refine and improve the theoretical models.

"We have demonstrated how to use THz to directly visualize these chemical interactions," Korter says. "The ultimate goal is to use these THz signatures to develop theoretical models that take into account the role of these weak forces to predict the crystal structures of pharmaceuticals before they are identified through experimentation."

dy Holmes | EurekAlert!
Further information:
http://www.syr.edu

More articles from Life Sciences:

nachricht How brains surrender to sleep
23.06.2017 | IMP - Forschungsinstitut für Molekulare Pathologie GmbH

nachricht A new technique isolates neuronal activity during memory consolidation
22.06.2017 | Spanish National Research Council (CSIC)

All articles from Life Sciences >>>

The most recent press releases about innovation >>>

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

Im Focus: Can we see monkeys from space? Emerging technologies to map biodiversity

An international team of scientists has proposed a new multi-disciplinary approach in which an array of new technologies will allow us to map biodiversity and the risks that wildlife is facing at the scale of whole landscapes. The findings are published in Nature Ecology and Evolution. This international research is led by the Kunming Institute of Zoology from China, University of East Anglia, University of Leicester and the Leibniz Institute for Zoo and Wildlife Research.

Using a combination of satellite and ground data, the team proposes that it is now possible to map biodiversity with an accuracy that has not been previously...

Im Focus: Climate satellite: Tracking methane with robust laser technology

Heatwaves in the Arctic, longer periods of vegetation in Europe, severe floods in West Africa – starting in 2021, scientists want to explore the emissions of the greenhouse gas methane with the German-French satellite MERLIN. This is made possible by a new robust laser system of the Fraunhofer Institute for Laser Technology ILT in Aachen, which achieves unprecedented measurement accuracy.

Methane is primarily the result of the decomposition of organic matter. The gas has a 25 times greater warming potential than carbon dioxide, but is not as...

Im Focus: How protons move through a fuel cell

Hydrogen is regarded as the energy source of the future: It is produced with solar power and can be used to generate heat and electricity in fuel cells. Empa researchers have now succeeded in decoding the movement of hydrogen ions in crystals – a key step towards more efficient energy conversion in the hydrogen industry of tomorrow.

As charge carriers, electrons and ions play the leading role in electrochemical energy storage devices and converters such as batteries and fuel cells. Proton...

Im Focus: A unique data centre for cosmological simulations

Scientists from the Excellence Cluster Universe at the Ludwig-Maximilians-Universität Munich have establised "Cosmowebportal", a unique data centre for cosmological simulations located at the Leibniz Supercomputing Centre (LRZ) of the Bavarian Academy of Sciences. The complete results of a series of large hydrodynamical cosmological simulations are available, with data volumes typically exceeding several hundred terabytes. Scientists worldwide can interactively explore these complex simulations via a web interface and directly access the results.

With current telescopes, scientists can observe our Universe’s galaxies and galaxy clusters and their distribution along an invisible cosmic web. From the...

Im Focus: Scientists develop molecular thermometer for contactless measurement using infrared light

Temperature measurements possible even on the smallest scale / Molecular ruby for use in material sciences, biology, and medicine

Chemists at Johannes Gutenberg University Mainz (JGU) in cooperation with researchers of the German Federal Institute for Materials Research and Testing (BAM)...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

Event News

Plants are networkers

19.06.2017 | Event News

Digital Survival Training for Executives

13.06.2017 | Event News

Global Learning Council Summit 2017

13.06.2017 | Event News

 
Latest News

Quantum thermometer or optical refrigerator?

23.06.2017 | Physics and Astronomy

A 100-year-old physics problem has been solved at EPFL

23.06.2017 | Physics and Astronomy

Equipping form with function

23.06.2017 | Information Technology

VideoLinks
B2B-VideoLinks
More VideoLinks >>>