Abstract #1382

Simulated 1H-1H residual dipolar couplings of collagen-associated water

Jouni Karjalainen¹, Mikko J. Nissi², Miika T. Nieminen^1,3,4, and Matti Hanni^1,3,4

¹Research Unit of Medical Imaging, Physics and Technology, University of Oulu, Oulu, Finland, ²Department of Applied Physics, University of Eastern Finland, Kuopio, Finland, ³Medical Research Center, University of Oulu and Oulu University Hospital, Oulu, Finland, ⁴Department of Diagnostic Radiology, Oulu University Hospital, Oulu, Finland

Residual dipolar couplings have been suggested as the cause of the orientational dependence of relaxation times in anisotropic tissues, such as articular cartilage. We use molecular dynamics simulations to compute the residual dipolar couplings of water protons associated with a model collagen molecule. The results suggest that significant residual dipolar couplings appear without strong binding between the water and the collagen.

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