2,848 research outputs found
L-lactate reduces ischemic white matter injury and modulates HCA1 oligodendrocyte expression in an in vivo mouse model of focal ischemia
L-lactate is a metabolite that is oxidized preferentially to glucose under conditions of high metabolic stress. The discovery and localization of the lactate receptor HCA1 in various brain regions suggests that lactate is additionally an important signaling molecule in the brain. Lactate is neuroprotective in various ischemia paradigms, reduces axonal injury in vitro and is avidly utilized by oligodendrocytes (OLs). The protective potential of L-lactate to reduce white matter (WM) injury in a mouse stroke model was investigated.N/
First principles predictions of van der Waals bonded inorganic crystal structures: Test case, HgCl2
We study the crystals structure and stability of four possible polymorphs of HgCl2 using first principles density functional theory. Mercury (II) halides are a unique class of materials which, depending on the halide species, form in a wide range of crystal structures, ranging from densely packed solids to layered materials and molecular solids. Predicting the groundstate structure of any member of this group from first principles, therefore, requires a general purpose functional that treats van der Waals bonding and covalent/ionic bonding adequately. Here, we demonstrate that the non-local van der Waals density functional paired with the C09 exchange functional meets this bar for HgCl2. In particular, this functional is able to predict the correct groundstate among the structures tested as well as having extremely good agreement with the experimentally known crystal structure. These results highlight the maturity of this functional and open the door to using this method for truly first principles crystal structure predictions
Presynaptic inhibitory effect of acetylcholine in the hippocampus
(1) In order to investigate the effects of acetylcholine (ACh) on synaptic transmission in the rat hippocampus, extracellular and intracellular recordings were made from pyramidal neurons in an in vitro slice preparation while synaptic inputs to the cell population were stimulated. ACh was applied ionophoretically into somatic and dendritic layers of the slice. (2) ACh applied into the apical dendritic layer of the CA1 region reduced the size of the locally evoked field excitatory postsynaptic potential (EPSP) without altering the size of the afferent fiber volley. Likewise, dendritically applied ACh reduced the size of intracellularly recorded EPSPs. This effect of ACh appeared to be muscarinic since it was not affected by hexamethonium (up to 3 X 10-5 M) but was antagonized by atropine in a dose-dependent manner. (3) The distribution of Ach-sensitive sites matched closely the spatial distribution of activated synapses on the pyramidal cell dendrites as shown by ionophoretic mapping experiments. (4) In contrast to the effects of dendritic applications of ACh, ionophoresis of ACh into the cell layer resulted in an increase and prolongation of EPSPs and a transient decrease in the size of recurrent somatic inhibitory postsynaptic potentials (IPSPs). These effects on synaptic potentials could not be explained by the observed changes in membrane potential and input resistance following somatic application of ACh. (5) Short dendritic applications of ACh had no consistent effect on the membrane potential or slope conductance of pyramidal neurons and did not attenuate the depolarization evoked by brief dendritic applications of glutamate. In addition, the time course of ACh-reduced EPSPs was not different from control. (6) We conclude that ACh exerts a presynaptic inhibitory effect on both excitatory and inhibitory afferents to hippocampal pyramidal neurons. This effect of ACh is widespread, occurring in all regions of Ammon's horn tested as well as in stratum moleculare of fascia dentata
Utilizing grass for the biological production of polyhydroxyalkanoates (PHAs) via green biorefining: Material and energy flows
The meat and dairy industry across Europe is dependent on the production of grass. However, faced with competing pressures to reduce the environmental impact of agriculture, a potential future reduction of meat and dairy consumption in western diets, and pressure to minimize food production costs, grass could be used to produce alternative products. The biological production of polyhydroxyalkanoates (PHA) by using grass as the primary carbon source in a novel mixed culture process has been studied. A total of 30,000 t of fresh grass would yield approximately 403.65 t of dried biopolymer granules. On the basis of this early stage, non-optimized process, the cumulative energy demand (CED) of PHA produced from waste grass and cultivated grass was found to be 248.4 MJ/kg and 271.8 MJ/kg, respectively, which is the same order of magnitude as fossil-carbon-based polymers. Improvements in volatile fatty acid yields, reduction in chemical and water inputs, and using residues to make other products will reduce the CED. Given the future requirement to produce polymers with little or no fossil-carbon feedstock, an optimized version of the process could provide a viable future production option that also contributes to the long-term sustainability of agricultural communities
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
We derive the exchange-correlation potential corresponding to the nonlocal
van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C.
Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this
potential for a self-consistent calculation of the ground state properties of a
number of van der Waals complexes as well as crystalline silicon. For the
latter, where little or no van der Waals interaction is expected, we find that
the results are mostly determined by semilocal exchange and correlation as in
standard generalized gradient approximations (GGA), with the fully nonlocal
term giving little effect. On the other hand, our results for the van der Waals
complexes show that the self-consistency has little effect at equilibrium
separations. This finding validates previous calculations with the same
functional that treated the fully nonlocal term as a post GGA perturbation. A
comparison of our results with wave-function calculations demonstrates the
usefulness of our approach. The exchange-correlation potential also allows us
to calculate Hellmann-Feynman forces, hence providing the means for efficient
geometry relaxations as well as unleashing the potential use of other standard
techniques that depend on the self-consistent charge distribution. The nature
of the van der Waals bond is discussed in terms of the self-consistent bonding
charge.Comment: submitted to Phys. Rev.
Design of a low band gap oxide ferroelectric: BiTiO
A strategy for obtaining low band gap oxide ferroelectrics based on charge
imbalance is described and illustrated by first principles studies of the
hypothetical compound BiTiO, which is an alternate stacking of
the ferroelectric BiTiO. We find that this compound is
ferroelectric, similar to BiTiO although with a reduced
polarization. Importantly, calculations of the electronic structure with the
recently developed functional of Tran and Blaha yield a much reduced band gap
of 1.83 eV for this material compared to BiTiO. Therefore,
BiTiO is predicted to be a low band gap ferroelectric material
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
The theoretical description of sparse matter attracts much interest, in
particular for those ground-state properties that can be described by density
functional theory (DFT). One proposed approach, the van der Waals density
functional (vdW-DF) method, rests on strong physical foundations and offers
simple yet accurate and robust functionals. A very recent functional within
this method called vdW-DF-cx [K. Berland and P. Hyldgaard, Phys. Rev. B 89,
035412] stands out in its attempt to use an exchange energy derived from the
same plasmon-based theory from which the nonlocal correlation energy was
derived. Encouraged by its good performance for solids, layered materials, and
aromatic molecules, we apply it to several systems that are characterized by
competing interactions. These include the ferroelectric response in PbTiO,
the adsorption of small molecules within metal-organic frameworks (MOFs), the
graphite/diamond phase transition, and the adsorption of an aromatic-molecule
on the Ag(111) surface. Our results indicate that vdW-DF-cx is overall well
suited to tackle these challenging systems. In addition to being a competitive
density functional for sparse matter, the vdW-DF-cx construction presents a
more robust general purpose functional that could be applied to a range of
materials problems with a variety of competing interactions
The First 1 1/2 Years of TOTEM Roman Pot Operation at LHC
Since the LHC running season 2010, the TOTEM Roman Pots (RPs) are fully
operational and serve for collecting elastic and diffractive proton-proton
scattering data. Like for other moveable devices approaching the high intensity
LHC beams, a reliable and precise control of the RP position is critical to
machine protection. After a review of the RP movement control and position
interlock system, the crucial task of alignment will be discussed.Comment: 3 pages, 6 figures; 2nd International Particle Accelerator Conference
(IPAC 2011), San Sebastian, Spain; contribution MOPO01
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