A Perspective on the Potential Role of Neuroscience in the Court

This Article presents some lessons learned while offering expert testimony on neuroscience in courts. As a biomedical investigator participating in cutting-edge research with clinical and mentoring responsibilities, Dr. Ruben Gur, Ph.D., became involved in court proceedings rather late in his career. Based on the success of Dr. Gur and other research investigators of his generation, who developed and validated advanced methods for linking brain structure and function to behavior, neuroscience findings and procedures became relevant to multiple legal issues, especially related to culpability and mitigation. Dr. Gur found himself being asked to opine in cases where he could contribute expertise on neuropsychological testing and structural and functional neuroimaging. Most of his medical-legal consulting experience has been in capital cases because of the elevated legal requirement for thorough mitigation investigations in such cases, and his limited availability due to his busy schedule as a full-time professor and research investigator who runs the Brain and Behavior Lab at the University of Pennsylvania (“Penn”). Courtroom testimony, however, has not been a topic of his research and so he has not published extensively on the issues in peer-reviewed literature

Strong electronic correlations in Lix_xZnPc organic metals

Nuclear magnetic resonance, electron paramagnetic resonance and magnetization measurements show that bulk Li$_x$ZnPc are strongly correlated one-dimensional metals. The temperature dependence of the nuclear spin-lattice relaxation rate $1/T_1$ and of the static uniform susceptibility $\chi_S$ on approaching room temperature are characteristic of a Fermi liquid. Moreover, while for $x\simeq 2$ the electrons are delocalized down to low temperature, for $x\to 4$ a tendency towards localization is noticed upon cooling, yielding an increase both in $1/T_1$ and $\chi_s$. The $x$-dependence of the effective density of states at the Fermi level $D(E_F)$ displays a sharp enhancement for $x\simeq 2$, at the half filling of the ZnPc lowest unoccupied molecular orbitals. This suggests that Li$_x$ZnPc is on the edge of a metal-insulator transition where enhanced superconducting fluctuations could develop.Comment: 5 pages, 4 figure

Radiative corrections to the three-body region of the Dalitz plot of baryon semileptonic decays with angular correlation between polarized emitted baryons and charged leptons: The initial-baryon rest frame case

We complement the results for the radiative corrections to the s2.l angular correlation of baryon semileptonic decays of Ref. [1] with the final results in the rest frame of the decaying baryon.Comment: 7 pages, Revtex4, no figure

Efficient construction of free energy profiles of breathing metal–organic frameworks using advanced molecular dynamics simulations

In order to reliably predict and understand the breathing behavior of highly flexible metal–organic frameworks from thermodynamic considerations, an accurate estimation of the free energy difference between their different metastable states is a prerequisite. Herein, a variety of free energy estimation methods are thoroughly tested for their ability to construct the free energy profile as a function of the unit cell volume of MIL-53(Al). The methods comprise free energy perturbation, thermodynamic integration, umbrella sampling, metadynamics, and variationally enhanced sampling. A series of molecular dynamics simulations have been performed in the frame of each of the five methods to describe structural transformations in flexible materials with the volume as the collective variable, which offers a unique opportunity to assess their computational efficiency. Subsequently, the most efficient method, umbrella sampling, is used to construct an accurate free energy profile at different temperatures for MIL-53(Al) from first principles at the PBE+D3(BJ) level of theory. This study yields insight into the importance of the different aspects such as entropy contributions and anharmonic contributions on the resulting free energy profile. As such, this thorough study provides unparalleled insight in the thermodynamics of the large structural deformations of flexible materials

Controlled anisotropic dynamics of tightly bound skyrmions in a synthetic ferrimagnet due to skyrmion-deformation mediated by induced uniaxial in-plane anisotropy

We study speed and skew deflection-angle dependence on skyrmion deformations of a tightly bound two-skyrmion state in a synthetic ferrimagnet. We condsider here, an in-plane uniaxial magnetocrystalline anisotropy-term in order to induce lateral shape distortions and an overall size modulation of the skyrmions due to a reduction of the effective out-of-plane anisotropy, thus affecting the skyrmion speed, skew-deflection and inducing anisotropy in these quantities with respect to the driving current-angle. Because of frustrated dipolar interactions in a synthetic ferrimagnet, sizeable skyrmion deformations can be induced with relatively small induced anisotropy constants and thus a wide range of tuneability can be achieved. We also show analytically, that a consequence of the skyrmion deformation can, under certain conditions cause a skyrmion deflection with respect to driving-current angles, unrelated to the topological charge. Results are analyzed by a combination of micromagnetic simulations and a compound particle description within the Thiele-formalism from which an over-all mobility tensor is constructed. This work offers an additional path towards in-situ tuning of skyrmion dynamics