We performed Monte-Carlo simulations of the diffusion process in 3D biomimetic geometries accounting for the angular dispersion and tortuosity present in white matter. Diffusion MRI data synthesis using clinically plausible trapezoidal OGSE sequences was then performed and an extra-axonal linear-in-frequency dependence of the perpendicular diffusivity transverse to axons was observed over a wide range of axon diameter values. Simulated data was fed into an ActiveAx trapezoidal OGSE model accounting for this frequency-dependence. The estimation of axonal diameter is improved by this correction.
White matter is modeled as three tissue compartments. The full model for the diffusion MR signal $$$S$$$ writes (no exchange between compartments is assumed5,10,11):
$$S = (1 - \nu_{iso})( \nu_{ic}S_{ic} + ( 1 - \nu_{ic})S_{ec} ) + \nu_{iso}S_{iso}~~~~~(1)$$
where $$$S$$$ and $$$\nu$$$ are the normalized signal and associated volume fraction of a given compartment and $$$iso$$$, $$$ic$$$ and $$$ec$$$ refer to the CSF (isotropic Gaussian displacements12), intra- and extra-cellular compartments. The intra-cellular signal $$$S_{ic}$$$ from particles trapped inside a cylinder with direction n is computed using the Gaussian Phase Distribution approximation for tOGSE13. Extra-axonal diffusion is characterized by an extracellular diffusion tensor $$$D_{ec}$$$ :
$$S_{ec} = e^{b G^T D_{ec}(n,\nu_{ic})G}~~~~~(2)$$
where $$$b$$$ is the $$$b$$$-value of the diffusion sequence, $$$G$$$ represents the gradient magnitude. $$$D_{ec}$$$ is decomposed as11 :
$$D_{ec}(n,\nu_{ic}) = ( d - d_{\perp}(\nu_{ic}) )nn^T + d_{\perp}(\nu_{ic})I~~~~~(3)$$
where $$$d_{\perp}$$$ is the diffusion coefficient perpendicular to axons and $$$I$$$ the identity tensor. Similarly to cOGSE6, a frequency-dependence correction is added to $$$d_{perp}$$$ for tOGSE sequences at frequency $$$|\omega_0|$$$, accounting for the linear-in-frequency dependence of the diffusion coefficient transverse to axons1:
$$d_{\perp} = d_{\perp,\infty} + A\frac{\pi}{2}|\omega_0|~~~~~(4)$$
Theoretically, equation (4) holds only in the case of a cOGSE whose encoding spectrum approximately writes14
$$|F(\omega)|^2 = (\frac{\pi \gamma G}{\omega_0})^2[\delta(\omega+\omega_0) + \delta(\omega-\omega_0) ]~~~~(5)$$
for a sufficient number of oscillations. However, it was shown that the differences between the encoding spectrum of cOGSE and tOGSE with equal frequency are minimal14. Equation (4) can thus be used with tOGSE sequences having a high selectivity around $$$\omega_0$$$. Monte-Carlo simulations were performed with the Diffusion Microscopist Simulator15 using a numerical phantom mimicking white matter structural disorder with an angular dispersion of 10 degrees (fig.1). 307 / 741 cylindroids (volume fractions of 0.25 / 0.5) were packed inside a cube subdivided into 27 voxels. Only the central voxel was considered in order to make the simulation finite-size effects negligible. Particles followed a 3D Brownian motion dynamics, elastically reflecting onto the cylindroid membranes, with a diffusivity of 2.00 .10-9 m²/s and temporal step of 1.0 µs. dMRI data synthesis was performed using a simulated tOGSE sequence depicting 7 lobes (due to its frequency selectivity, see fig.2), a refocusing pulse of 10 ms and a slew rate of 200 T/m/s(fig.3), that can effectively be tuned on recent Connectome 3T scanners equipped with 80mT/m gradient sets.
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