29 October 2014

The heart in a supercomputer

A new mathematical model of a beating heart has been created,
the detail of which extends to the molecular level

DailyTechInfo based on DigInfo TV: Developing multiscale, multiphysics simulator of the heartScientists from the University of Tokyo and researchers from the Fujitsu research group have developed a simulator of a beating human heart, which is based on mathematical models of the action of molecular intracellular "engines" that drive the hearts of all living beings.

This mathematical model links together the microlevel, the level of individual biological molecules and cells, and the macrolevel, the level of individual elements and the heart as a whole. Such relationships, in turn, allow us to make high-level predictions about various situations that can be used as materials for medical research and clinical practice.

"In our mathematical model, we take into account the movement and behavior of absolutely all the molecules of the heart tissues, which at a higher level turn into the movement of contracting muscles that provide the entire dynamics of the heartbeat. This requires truly enormous computing power," the researchers write, "Thanks to the capabilities of the K supercomputer, we now have the necessary computing power, which is used to reproduce extremely realistic natural heartbeats."

Calculations of the mathematical model of the heartbeat are complicated by the fact that individual molecules do not act independently of each other, they move under the influence of the movement of neighboring molecules, which may be molecules of a completely different type. In addition, the shape of the heart changes during movement and these changes, in turn, affect the behavior of some molecules. Computational methods describing all these relationships between the micro and macro worlds are so complex that the simulation program simply cannot be run even on a middle–class supercomputer, for this such a supercomputer does not have enough resources or enough computing power.

"The basis of calculations are the laws of Newtonian dynamics, which are greatly influenced by chemical and biochemical reactions. The main task that our model is working on is the constant search for the state of dynamic equilibrium of all forces, and this is described by such complex systems of equations with so many variables that not only the solution, but also the principle of solving such a system is an extremely difficult task. In addition, our model takes into account a lot of other factors, such as the pressure exerted by blood on the vessel walls, cardiac membrane, muscle and valves. And thanks to the K supercomputer, for the first time we were able to observe and analyze the activity of the heart in unprecedented detail."

In the near future, researchers will introduce into the developed mathematical model the concept of molecular mutations that lead to the occurrence of various diseases of the cardiovascular system. By combining the data obtained using a mathematical model with the available data from theoretical and clinical studies, physicians will have at their disposal a powerful tool with which it will be possible to choose the best treatment option for literally every individual patient.

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