10Kin1day: A Bottom-Up Neuroimaging Initiative.

We organized 10Kin1day, a pop-up scientific event with the goal to bring together neuroimaging groups from around the world to jointly analyze 10,000+ existing MRI connectivity datasets during a 3-day workshop. In this report, we describe the motivation and principles of 10Kin1day, together with a public release of 8,000+ MRI connectome maps of the human brain

Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)

The diffusion of gases confined in nanoporous materials underpins membrane and adsorption-based gas separations, yet relatively few measurements of diffusion coefficients in the promising class of materials, metal-organic frameworks (MOFs), have been reported to date. Recently we reported self-diffusion coefficients for 13CO2 in the MOF, Zn2(dobpdc), (dobpdc4– = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) that has one-dimensional channels with a diameter of approximately 2 nm. By analyzing the evolution of the residual 13C chemical shift anisotropy lineshape at different gradient strengths, we obtained self-diffusion coefficients both along (D||) and between (D⊥) the one-dimensional MOF channels. The observation of non-zero D⊥ was unexpected based on the single crystal X-ray diffraction structure and flexible lattice molecular dynamics simulations, and we proposed that structural defects may be responsible for self-diffusion between the MOF channels. Here we revisit this analysis and show that homogeneous line broadening must be taken into account to obtain accurate values for D⊥. In the presence of homogeneous line broadening, intensity at a particular NMR frequency represents signal from crystals with a range of orientations relative to the applied magnetic field and magnetic gradient field. To quantify these effects, we perform spectral simulations that take into account homogeneous broadening and allow improved D⊥ values to be obtained. Our new analysis best supports non-zero D⊥ at all studied dosing pressures and shows that our previous analysis overestimated D⊥

Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc)

The diffusion of gases confined in nanoporous materials underpins membrane and adsorption-based gas separations, yet relatively few measurements of diffusion coefficients in the promising class of materials, metal-organic frameworks (MOFs), have been reported to date. Recently we reported self-diffusion coefficients for ¹³CO₂ in the MOF, Zn₂(dobpdc), (dobpdc^4– = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) that has one-dimensional channels with a diameter of approximately 2 nm. By analyzing the evolution of the residual ¹³C chemical shift anisotropy lineshape at different gradient strengths, we obtained self-diffusion coefficients both along (D_||) and between (D_⊥) the one-dimensional MOF channels. The observation of non-zero D⊥ was unexpected based on the single crystal X-ray diffraction structure and flexible lattice molecular dynamics simulations, and we proposed that structural defects may be responsible for self-diffusion between the MOF channels. Here we revisit this analysis and show that homogeneous line broadening must be taken into account to obtain accurate values for D⊥. In the presence of homogeneous line broadening, intensity at a particular NMR frequency represents signal from crystals with a range of orientations relative to the applied magnetic field and magnetic gradient field. To quantify these effects, we perform spectral simulations that take into account homogeneous broadening and allow improved D⊥ values to be obtained. Our new analysis best supports non-zero D⊥ at all studied dosing pressures and shows that our previous analysis overestimated D⊥

Revisiting Anisotropic Diffusion of Carbon Dioxide in the Metal–Organic Framework Zn₂(dobpdc)

The diffusion of gases confined in nanoporous materials underpins membrane and adsorption-based gas separations, yet relatively few measurements of diffusion coefficients in the promising class of materials, metal–organic frameworks (MOFs), have been reported to date. Recently we reported self-diffusion coefficients for ¹³CO₂ in the MOF Zn₂(dobpdc) (dobpdc^4– = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate) which has one-dimensional channels with a diameter of approximately 2 nm [Forse, A. C.; J. Am. Chem. Soc. 2018, 140, 1663−1673]. By analyzing the evolution of the residual ¹³C chemical shift anisotropy line shape at different gradient strengths, we obtained self-diffusion coefficients both along (<i>D</i>_∥) and between (<i>D</i>_⊥) the one-dimensional MOF channels. The observation of nonzero <i>D</i>_⊥ was unexpected based on the single crystal X-ray diffraction structure and flexible lattice molecular dynamics simulations, and we proposed that structural defects may be responsible for self-diffusion between the MOF channels. Here we revisit this analysis and show that homogeneous line broadening must be taken into account to obtain accurate values for <i>D</i>_⊥. In the presence of homogeneous line broadening, intensity at a particular NMR frequency represents signal from crystals <i>with a range of orientations</i> relative to the applied magnetic field and magnetic gradient field. To quantify these effects, we perform spectral simulations that take into account homogeneous broadening and allow improved <i>D</i>_⊥ values to be obtained. Our new analysis best supports nonzero <i>D</i>_⊥ at all studied dosing pressures and shows that our previous analysis overestimated <i>D</i>_⊥

Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal–Organic Frameworks

The rapid diffusion of molecules in porous materials is critical for numerous applications including separations, energy storage, sensing, and catalysis. A common strategy for tuning guest diffusion rates is to vary the material pore size, although detailed studies that isolate the effect of changing this particular variable are lacking. Here, we begin to address this challenge by measuring the diffusion of carbon dioxide in two isoreticular metal–organic frameworks featuring channels with different diameters, Zn2(dobdc) (dobdc4– = 2,5-dioxidobenzene-1,4-dicarboxylate) and Zn2(dobpdc) (dobpdc4− = 4,4′-dioxidobiphenyl-3,3′-dicarboxylate), using pulsed field gradient NMR spectroscopy. An increase in the pore diameter from 15 Å in Zn2(dobdc) to 22 Å in Zn2(dobpdc) is accompanied by an increase in the self-diffusion of CO2 by a factor of 4 to 6, depending on the gas pressure. Analysis of the diffusion anisotropy in Zn2(dobdc) reveals that the self-diffusion coefficient for motion of CO2 along the framework channels is at least 10,000 times greater than for motion between the framework channels. Our findings should aid the design of improved porous materials for a range of applications where diffusion plays a critical role in determining performance

Mild cerebellar injury does not significantly affect cerebral white matter microstructural organization and neurodevelopmental outcome in a contemporary cohort of preterm infants

BackgroundPreterm birth is associated with an increased risk of cerebellar injury. The aim of this study was to assess the impact of cerebellar hemorrhages (CBH) on cerebral white matter microstructural tissue organization and cerebellar volume at term-equivalent age (TEA) in extremely preterm infants. Furthermore, we aimed to evaluate the association between CBH and neurodevelopmental outcome in late infancy.MethodsA total of 24 preterm infants with punctate CBH were included and each matched to two preterm control infants. T1-, T2-weighted images and diffusion-weighted imaging were acquired on a 3T magnetic resonance imaging (MRI) system. Regions of interest were drawn on a population-specific neonatal template and automatically registered to individual fractional anisotropy (FA) maps. Brain volumes were automatically computed. Neurodevelopmental outcome was assessed using the Bayley scales of Infant and Toddler Development at 2 years of corrected age.ResultsCBHs were not significantly related to FA in the posterior limb of the internal capsule and corpus callosum or to cerebellar volume. Infants with CBH did not have poorer neurodevelopmental outcome compared with control infants.ConclusionThese findings suggest that the impact of mild CBH on early macroscale brain development may be limited. Future studies are needed to assess the effects of CBH on long-Term neurodevelopment

White matter maturation in the neonatal brain is predictive of school age cognitive capacities in children born very preterm

Aim: To investigate the association between white matter organization in the neonatal brain and cognitive capacities at early school age in children born very preterm. Method: Thirty children born very preterm (gestational age median 27.5wks, interquartile range [IQR] 25.5–29.5; 18 males, 12 females) were included in this retrospective observational cohort study. Diffusion-weighted imaging (DWI) had been performed on a 3T system in the neonatal period (median 41.3 [IQR 40.0–42.6]wks) and cognitive functioning was formally assessed at age 5 years and 7 months (IQR 5.4–5.9y) using the Wechsler Preschool and Primary Scale of Intelligence. Structural connectivity maps were reconstructed from the DWI data using deterministic streamline tractography. Network metrics of global and local communication and mean fractional anisotropy of white matter pathways were related to IQ and processing speed at age 5 years using linear regression analyses. Results: Mean fractional anisotropy was significantly related to Performance IQ at age 5 years (F=8.48, p=0.007). Findings persisted after adjustment for maternal education level. Interpretation: Our findings provide evidence that the blueprint of later cognitive achievement is already present at term-equivalent age and suggest that white matter connectivity strength may be a valuable predictor for long-term cognitive functioning