Navigation Links
Simulations aim to unlock nature's process of biomineralization

Columbus, Ohio A University of Akron researcher is leveraging advanced modeling and simulation techniques to more precisely understand how organic materials bond to inorganic materials, a natural phenomenon that if harnessed, could lead to the design of composite materials and devices for such applications as bone replacement, sensing systems, efficient energy generation and treatment of diseases.

Hendrik Heinz, Ph.D., an assistant professor of polymer engineering at UA, is accessing the systems of the Ohio Supercomputer Center (OSC) to study the process of biomineralization, nature's ability to form complex structures, such as bones, teeth and mollusk shells, from peptides.

"Research in our group aims at the understanding of complex interfacial phenomena, particularly biomineralization and organic photovoltaics, at the molecular scale using computer simulation," said Heinz.

"Simulation with atomistic and coarse-grain models and the development of computational tools goes hand in hand with collaborative experimental efforts."

"Advanced materials remains one of the cornerstones of research supported by the Ohio Supercomputer Center and is fundamental to both the economic legacy and future prospects for the State of Ohio," noted Ashok Krishnamurthy. "OSC is committed to providing state-of-the-art computational and storage resources to scientists, such as Dr. Heinz, who are focused on the design of fascinating new classes and applications of materials."

In a recent paper published by Interface, a journal of The Royal Society, Heinz describes how induced charges modify the interaction of proteins, peptides and bond-enhancing surfactants with metal surfaces. In another recent article, published in the Journal of the American Chemical Society, Heinz explains how he used molecular dynamics simulations to investigate molecular interactions involved in the selective binding of several short peptides to the surfaces of gold, palladium and a palladium-gold bimetal.

"Advances in materials science such as in biomedical and energy conversion devices increasingly rely on computational techniques and modeling," Heinz said. "In particular, interfaces at the nanoscale are difficult to characterize experimentally, such as charge transport mechanisms in solar cells, the formation of biominerals, and self-assembly of polymers in multi-component materials. Model building and simulation are critical to understand dynamic processes across the length and time scales."

This summer, Heinz received $430,000 for two years of research funding from the National Science Foundation's prestigious CAREER award program. Heinz and his research team are taking an interdisciplinary approach using concepts from physics, chemistry, biology, polymer science and engineering, as well as computation and statistical mechanics. The grant supports the development of new computational tools to understand biotic-abiotic interactions at the molecular level, as well a team of student researchers, ranging from graduates and undergraduates to high school pupils.

"We have carried out quantitative molecular simulations of inorganic-organic interfaces in excellent agreement with experimental results and developed accurate molecular models for inorganic components," Heinz explained. "These concepts serve as a starting point for understanding biomineralization processes and the performance of hybrid photovoltaic cells, as current examples. Our research efforts aim at complementing experimental results by molecular-level models to intelligently design (bio)molecules, interfaces, and, ultimately, devices."


Contact: Mr. Jamie Abel
Ohio Supercomputer Center

Related biology news :

1. Computer simulations explain the limitations of working memory
2. New open-source software permits faster desktop computer simulations of molecular motion
3. U of M researcher helps unlock 30 new genes responsible for early onset puberty
4. Researchers unlock the secret of bacterias immune system
5. Virtual research institute needed to unlock RNAs promise
6. Neutrons helping ORNL researchers unlock secrets to cheaper ethanol
7. Unlocking the secrets of RNA biology with WIREs
8. Scientists unlock secret of rabies transmission in bats
9. Study of microRNA helps NIH scientists unlock secrets of immune cells
10. Harnessing the power of stem cells to unlock the secrets of motor neuron disease
11. Biochemist unlocks genes role in breast-tumor growth
Post Your Comments:
Related Image:
Simulations aim to unlock nature's process of biomineralization
(Date:11/17/2015)... , Nov. 17, 2015 Pressure BioSciences, Inc. ... the development and sale of broadly enabling, pressure cycling ... sciences industry, today announced it has received gross proceeds ... million Private Placement (the "Offering"), increasing the total amount ... or more additional closings are expected in the near ...
(Date:11/12/2015)... golden retriever that stayed healthy despite having the gene ... new lead for treating this muscle-wasting disorder, report scientists ... and Harvard and the University of São Paolo in ... pinpoints a protective gene that boosts muscle regeneration, ... Children,s lab of Lou Kunkel , PhD, is ...
(Date:11/12/2015)... Nov. 11, 2015   Growing need for ... tools has been paving the way for use ... of discrete analytes in clinical, agricultural, environmental, food ... predominantly used in medical applications, however, their adoption ... due to continuous emphasis on improving product quality ...
Breaking Biology News(10 mins):
(Date:11/25/2015)... ... 25, 2015 , ... Jessica Richman and Zachary Apte, founders ... initial angel funding process. Now, they are paying it forward to other microbiome ... investments in the microbiome space. In this, they join other successful entrepreneurs-turned-angels ...
(Date:11/24/2015)... , Nov. 24, 2015 Cepheid (NASDAQ: ... speaking at the following conference, and invited investors to ... NY      Tuesday, December 1, 2015 at 11.00 ... NY      Tuesday, December 1, 2015 at 11.00 ... Conference, New York, NY      Tuesday, ...
(Date:11/24/2015)... (PRWEB) , ... November 24, 2015 , ... ... maintain healthy metabolism. But unless it is bound to proteins, copper is also ... Health (NIH), researchers at Worcester Polytechnic Institute (WPI) will conduct a systematic study ...
(Date:11/24/2015)... -- Clintrax Global, Inc., a worldwide provider of clinical research services headquartered ... the company has set a new quarterly earnings record in Q3 ... posted for Q3 of 2014 to Q3 of 2015.   ... , with the establishment of an Asia-Pacific ... United Kingdom and Mexico , with ...
Breaking Biology Technology: