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Functional activation using apparent diffusion coefficient-dependent contrast allows better spatial localization to the neuronal activity: evidence using diffusion tensor imaging and fiber tracking.

Recent studies suggested that functional activation using apparent diffusion coefficient (ADC) contrast can be used to detect synchronized functional MRI (fMRI) signal changes during brain activation. Such changes may reflect better spatial localization to the smaller vessels, which are closely coupled to the true neuronal activation. Since it is generally believed that there are neural pathways among neuronally relevant areas, methods that would allow clear delineation of such pathways could help validate the neuronal relevance of the activated functional areas. The development of diffusion tensor imaging (DTI) has shown promise in detailed nerve fiber tracking. In this report, DTI was adopted to track the fiber connections among the discrete areas determined using the ADC contrast, in an effort to confirm the neuronal origin of these activated areas. As a comparison, activated areas using blood oxygenation level-dependent (BOLD) contrast were also obtained. Our results showed that the areas determined by the ADC contrast consistently allowed better fiber tracking within, while the BOLD-activated areas were more spatially diffused due to the smearing effect of brain vasculature, rendering the task of fiber tracking more difficult. This observation provides converging evidence that the activated areas using ADC contrast are more closely coupled to the neuronal activity than those using BOLD contrast.

Brain↗

Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.

In this work the thermal diffusion behavior of binary mixtures of linear alkanes (heptane, nonane, undecane, tridecane, pentadecane, heptadecane) in benzene has been investigated by thermal diffusion forced Rayleigh scattering (TDFRS) for a range of concentrations and temperatures. The Soret coefficient ST of the alkane was found to be negative for these n-alkane/benzene mixtures indicating that the alkanes are enriched in the warmer regions of the liquid mixtures. For the compositions investigated in this work, the magnitude of the Soret coefficient decreases with increasing chain length and increasing alkane content of the mixtures. The temperature dependence of the Soret coefficient depends on mixture composition and alkane chain length; the slope of ST versus temperature changes from positive to negative with increasing chain length at intermediate compositions. To study the influence of molecular architecture on the Soret effect, mixtures of branched alkanes (2-methylhexane, 3-methylhexane, 2,3-dimethylpentane, 2,4-dimethylpentane, 2,2,3-trimethylbutane, and 2,2,4-trimethylpentane) in benzene were also investigated. Our results for the Soret coefficients show that the tendency for the alkanes to move to the warmer regions of the fluid decreases with increasing degree of branching. The branching effect is so strong that for 2,2,4-trimethylpentane/benzene mixtures the Soret coefficient changes sign at high alkane content and that equimolar 2,2,3-trimethylbutane/benzene mixtures have positive Soret coefficients in the investigated temperature range. In order to investigate the effect of molecular interactions on thermal diffusion, we adapted a recently developed two-chamber lattice model to n-alkane/benzene mixtures. The model includes the effects of chain-length, compressibility, and orientation dependence of benzene-benzene interactions and yields good qualitative predictions for the Soret effect in n-alkane/benzene mixtures. For the branched isomers, we find some correlations between the moments of inertia of the molecules and the Soret coefficients. PACS numbers: 66.10.Cb, 61.25.Hq.

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The diffuse interstellar bands: a tracer for organics in the diffuse interstellar medium?

The diffuse interstellar bands (DIBs) are absorption bands seen in the spectra of stars obscured by interstellar dust. DIBs are recognized as a tracer for free, organic molecules in the diffuse interstellar medium (ISM). The potential molecular carriers for the DIBs are discussed with an emphasis on neutral and ionized polycyclic aromatic hydrocarbons (PAHs) for which the most focused effort has been made to date. From the combined astronomical, laboratory and theoretical study, it is concluded that a distribution of free neutral and ionized complex organics (PAHs, fullerenes, unsaturated hydrocarbons) represents the most promising class of candidates to account for the DIBs. The case for aromatic hydrocarbons appears particularly strong. The implied widespread distribution of complex organics in the diffuse ISM bears profound implications for our understanding of the chemical complexity of the ISM, the evolution of prebiotic molecules and its impact on the origin and the evolution of life on early Earth through the exogenous delivery (cometary encounters and metoritic bombardments) of prebiotic organics.

Astronomical Phenomena↗

Diffusion-diffusion correlation and exchange as a signature for local order and dynamics.

We demonstrate the use of new two-dimensional nuclear magnetic resonance experiments in the examination of local diffusional anisotropy under conditions of global isotropy. The methods, known as diffusion-diffusion correlation spectroscopy and diffusion exchange spectroscopy, employ successive pairs of magnetic field gradient pulses, with signal analysis using two-dimensional inverse Laplace transformation. Diffusional anisotropy is measured for water molecules in a polydomain lamellar phase lyotropic liquid crystal, 40 wt % nonionic surfactant C10E3 (C10H21O(CH2CH2O)6H) in H2O.

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Mixing rules for multicomponent mixture mass diffusion coefficients and thermal diffusion factors.

Mixing rules are derived for mass diffusion coefficient and thermal diffusion factor matrices by developing compatibility conditions between the fluid mixture equations obtained from nonequilibrium thermodynamics and Grad's 13-moment kinetic theory. The mixing rules are shown to be in terms of the species mole fractions and binary processes. In particular, the thermal diffusion factors for binary mixtures obtained by the Chapman-Enskog expansion procedure are suitably generalized for many-component mixtures. Some practical aspects of the results are discussed including the utilization of these mixing rules for high pressure situations.

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The role of molecular interactions and interfaces in diffusion: transport diffusivity and evaluation of the Darken approximation.

Kinetic Monte Carlo (KMC) simulations are carried out to directly study diffusion of benzene through thin (37-100 nm) NaX zeolite membranes under a gradient in chemical potential. Nonlinearities in adsorbate loading near the membrane boundaries are shown to arise from the difference in adsorbate density between the zeolite and adjacent fluid phase. Direct extraction of the transport diffusivity from gradient KMC simulations enables testing of the Darken approximation. This rigorous approach reveals limitations of the Darken approximation and, for the first time, the potentially complex nonunique functionality and multiplicity of the transport diffusivity for strongly interacting adsorbates. In the companion paper we explore these nonlinear interfacial effects in the context of permeation through both single-crystal and polycrystalline membranes.

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Diffusion-weighted MR and apparent diffusion coefficient in the evaluation of severe brain injury.

PURPOSE: To study apparent diffusion coefficient (ADC) maps in severely brain-injured patients. MATERIAL AND METHODS: Four deeply comatose patients with severe brain injury were investigated with single-shot, diffusion-weighted, spin-echo echoplanar imaging. The tetrahedral diffusion gradient configuration and four iterations of a set of b-values (one time of 0 mm2/s, and four times of 1000 mm2/s) were used to create isotropic ADC maps with high signal-to-noise ratio. ADC values of gray and white matter were compared among patients and 4 reference subjects. RESULTS: One patient was diagnosed as clinically brain dead after the MR examination. The patient's ADC values of gray and white matter were significantly lower than those of 3 other brain-injured patients. In addition the ADC value of white matter was significantly lower than that of gray matter. CONCLUSION: The patient with fatal outcome shortly after MR examination differed significantly from other patients with severe brain injury but non-fatal outcome, with regard to ADC values in gray and white matter. This might indicate a prognostic value of ADC maps in the evaluation of traumatic brain injury.

Adolescent↗

Diffuse alopecia with stem cell folliculitis: chronic diffuse alopecia areata or a distinct entity?

A 34-year-old woman presented with an 8-year history of slowly progressive diffuse nonscarring alopecia with loss of hair density. Scalp biopsy specimens showed increased miniaturized follicles and an asymmetric wedge-shaped lymphocytic infiltrate concentrated on the stem cell-rich region at the point of entry of sebaceous ducts and at bulge-like regions of multiple follicles. Several hair bulbs emerging at the stem cell compartment also were inflamed, but the hair bulbs in the deeper dermis and subcutis were spared. I speculate whether these findings may represent a stem cell folliculitis similar to the reaction pattern previously observed in graft versus host disease and in androgenetic alopecia. The additional presence of peribulbar lymphocytic inflammation could indicate that the patient had a variant of alopecia areata. The clinical presentation of a slowly progressive diffuse alopecia without progression to clinically recognizable alopecia areata and the prominent lymphocytic inflammation involving the stem cell compartment may prompt a reexamination of similar cases currently classified as chronic diffuse alopecia areata. The concept that lymphocytes can inhibit stem cell function without destroying the stem cells themselves needs consideration.

Adult↗

Multiparticle biased diffusion-limited aggregation with surface diffusion: A comprehensive model of electrodeposition

We present a complete study of the multiparticle biased diffusion-limited aggregation (MBDLA) model supplemented with surface diffusion (SD), focusing on the relevance and effects of the latter transport mechanism. By comparing different algorithms, we show that MBDLA + SD is a very good qualitative model for electrodeposition in essentially the whole range of current intensities provided one introduces SD in the model in the proper fashion. We have found that the correct procedure involves simultaneous bulk diffusion and SD, introducing a time scale arising from the ratio of the rates of the two processes. We discuss in detail the different morphologies obtained and compare them to the available experimental data with very satisfactory results. We also characterize the aggregates thus obtained by means of the dynamic scaling exponents of the interface height, allowing us to distinguish several regimes in the mentioned interface growth. Our asymptotic scaling exponents are again in good agreement with recent experiments. We conclude by discussing a global picture of the influence and consequences of SD in electrodeposition.

Journal Article↗

Two-species reaction-diffusion system with equal diffusion constants: anomalous density decay at large times

We study a two-species reaction-diffusion model where A+A-->, A+B-->, and B+B-->, with annihilation rates lambda(0), delta(0)>lambda(0), and lambda(0), respectively. The initial particle configuration is taken to be randomly mixed with mean densities n(A)(0)>n(B)(0), and with the two species A and B diffusing with the same diffusion constant. A field-theoretic renormalization group analysis suggests that, contrary to expectation, the large-time density of the minority species decays at the same rate as the majority when d</=2. Monte Carlo data support the field theory prediction in d=1, while in d=2 the logarithmically slow convergence to the large-time asymptotics makes a numerical test difficult.

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Segment diffusion and flip-flop spin diffusion in entangled polyethyleneoxide melts: A field-gradient NMR diffusometry study

Chain dynamics in melts of entangled polyethyleneoxide melts has been investigated using fringe field nuclear magnetic resonance diffusometry. As already demonstrated in our previous work, intermolecular flip-flop spin diffusion strongly influences spin echo attenuation for long diffusion times and high molecular weights. The experimental data have been evaluated taking this phenomenon quantitatively into account. Predictions of the reptation model for the correspondingly modified time and molecular weight dependences of the effective segment diffusion coefficient are presented and compared with experimental results. While the ordinary Rouse model totally fails to explain the experimental data, a satisfactory qualitative description is provided on the basis of the tube/reptation model. However, the fitted parameter values turned out to be inconsistent with known properties of this polymer. This in particular refers to the mean squared chain end-to-end distance divided by the molecular weight, for which neutron-scattering values are available in the literature. Relative to those results, the value evaluated from our NMR diffusometry data on the basis of the tube/reptation model turned out to be much too large.

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Self-diffusion and collective diffusion in a model viscoelastic system.

We use dynamic light scattering (DLS) and fluorescence recovery after pattern photobleaching (FRAPP) to investigate the dynamics of a model transient network made of an oil-in-water droplet microemulsion to which small amounts of a telechelic polymer are added. The DLS correlation functions exhibit three relaxation modes. The two first modes can be interpreted quantitatively in the frame of the classical De Gennes-Brochard theory of DLS in viscoelastic system. The third, slower mode is diffusive and arises from the ternary character (droplets, polymers, and water) of the system. By contrast, the pattern relaxation in FRAPP exhibits a single-, slow-exponential decay with a characteristic time proportional to the squared inverse scattering vector: the corresponding self-diffusion coefficient of the droplets is found to be close to the diffusion coefficient characterizing the third mode in DLS. We interpret these results in terms of the coupled relaxation of the concentration fluctuations of the polymers and the droplets.

Journal Article↗

Localization properties of the anomalous diffusion phase in the directed trap model and in the Sinai diffusion with a bias.

We study the localization properties of the anomalous diffusion phase x approximately t(micro) with 0 0 and corresponds to the Golosov localization. For finite micro we thus generalize the usual real space renormalization method to allow for the spreading of the thermal packet over many renormalized valleys. Our construction allows one to compute exact series expansions in micro for all observables: to compute observables at order micro (n), it is sufficient to consider in each sample a spreading of the thermal packet onto at most (1+n) traps. So our approach provides a description of the structure of the thermal packet sample by sample, and a full statistical characterization of the important traps at a given order in micro. For the directed trap model, we show explicitly up to order micro(2) how to recover the exact expressions for the diffusion front, the thermal width, and the localization parameter Y2. We then use our method to derive exact results for the localization parameters Y(k) for arbitrary k, the correlation function of two particles, and the generating function of thermal cumulants. We then explain how these results apply to the Sinai diffusion with bias by deriving the quantitative mapping between the large-scale renormalized descriptions of the two models. Finally we study the internal structure of the effective "traps" for the Sinai model via path-integral methods.

Journal Article↗

Solution of the time-dependent diffusion equation for layered diffusive media by the eigenfunction method.

An exact solution of the time-dependent diffusion equation for the case of a two- and a three-layered finite diffusive medium is proposed. The method is based on the decomposition of the fluence rate in a series of eigenfunctions and upon the solution of the consequent transcendental equation for the eigenvalues obtained from the boundary conditions. Comparisons among the solution of the diffusion equation and the results of Monte Carlo simulations show the correctness of the proposed model.

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N-dimensional fractional diffusion equation and Green function approach: spatially dependent diffusion coefficient and external force.

We investigate an N-dimensional fractional diffusion equation with radial symmetry by using the Green function approach. We consider, in our analysis, the spatial dependence on the diffusion coefficient and the presence of an external force. In particular, we employ boundary conditions in a finite interval and after we extend it to a semi-infinite interval. We also show that a rich class of diffusive processes, including normal and anomalous ones, can be obtained from the solutions found here.

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Remedy for the fermion sign problem in the diffusion Monte Carlo method for few fermions with antisymmetric diffusion process.

We suggest an exact approach to help remedy the fermion sign problem in diffusion quantum Monte Carlo simulations. The approach is based on an explicit suppression of symmetric modes in the Schrödinger equation by means of a modified stochastic diffusion process (antisymmetric diffusion process). We introduce this algorithm and illustrate it on potential models in one dimension (1D) and show that there it solves the fermion sign problem exactly and converges to the lowest antisymmetric state of the system. Then, we discuss extensions of this approach to many-dimensional systems on examples of quantum oscillator in 2D-20D and a toy model of three and four fermions on harmonic strings in 2D and 3D. We show that in all these cases our method shows a performance comparable to that of a fixed-node approximation with an exact node.

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Diffusion-reorganized aggregates: attractors in diffusion processes?

A process based on particle evaporation, diffusion, and redeposition is applied iteratively to a two-dimensional object of arbitrary shape. The evolution spontaneously transforms the object morphology, converging to branched structures. Independently of initial geometry, the structures found after a long time present fractal geometry with a fractal dimension around 1.75. The final morphology, which constantly evolves in time, can be considered as the dynamic attractor of this evaporation-diffusion-redeposition operator. The ensemble of these fractal shapes can be considered to be the dynamical equilibrium geometry of a diffusion-controlled self-transformation process.

Journal Article↗

Anomalous diffusion profiles of Ag in CdTe due to chemical self-diffusion.

Anomalous diffusion profiles of Ag in single crystalline CdTe were observed using the radiotracer 111Ag. The diffusion anneals were performed at 800 K under Cd or Te vapor and in a vacuum for different Ag concentrations. The measured Ag profiles directly reflect the distribution of the self-interstitials and vacancies of the Cd sublattice and are the result of chemical self-diffusion which describes the variation of the deviation from stoichiometry of the binary crystal as a function of depth and time.

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