Search results for "Potential"
showing 10 items of 3348 documents
Adsorption dynamics of molecular nitrogen at an Fe(111) surface.
2017
We present an extensive theoretical study of N adsorption mechanisms on an Fe(111) surface. We combine the static analysis of a six-dimensional potential energy surface (6D-PES), based on ab initio density functional theory (DFT) calculations for the system, with quasi-classical trajectory (QCT) calculations to simulate the adsorption dynamics. There are four molecular adsorption states, usually called γ, δ, α, and ε, arising from our DFT calculations. We find that N adsorption in the γ-state is non-activated, while the threshold energy is associated with the entrance channel for the other three adsorption states. Our QCT calculations confirm that there are activated and nonactivated paths …
An update to Hippocampome.org by integrating single-cell phenotypes with circuit function in vivo.
2021
Understanding brain operation demands linking basic behavioral traits to cell-type specific dynamics of different brain-wide subcircuits. This requires a system to classify the basic operational modes of neurons and circuits. Single-cell phenotyping of firing behavior during ongoing oscillations in vivo has provided a large body of evidence on entorhinal–hippocampal function, but data are dispersed and diverse. Here, we mined literature to search for information regarding the phase-timing dynamics of over 100 hippocampal/entorhinal neuron types defined in Hippocampome.org. We identified missing and unresolved pieces of knowledge (e.g., the preferred theta phase for a specific neuron type) a…
Data Augmentation Approach in Bayesian Modelling of Presence-only Data
2011
Abstract Ecologists are interested in prediction of potential distribution of species in suitable areas, essential for planning conservation and management strategies. Unfortunately, often the only available information in such studies is the true presence of the species at few locations of the study area and the associated environmental covariates over the entire area, referred as presence-only data. We propose a Bayesian approach to estimate logistic linear regressions adapted to presence-only data through the introduction of a random approximation of the correction factor in the adjusted logistic model that allows us to overcome the need to know a priori the prevalence of the species.
Tripotential data processing for HES interpretation
1994
In this paper some methods are proposed and compared to correct the experimental measurements for preliminary processing of tripotential data which are acquired for HES prospecting. However, the use of those methods should be based upon an accurate analysis of all experimental data. Such an analysis ought to involve: 1) an estimate of the averaged measurement errors with their variance and distribution in both the space and the three apparent-resistivities domains; 2) the choice of a resistivity model capable of describing the actual volume under study. The differences among the three values of apparent resistivity measured on a point are generally influenced both by the resistivity distrib…
Global Atmospheric Profiles from Reanalysis Information (GAPRI): a new database for earth surface temperature retrieval
2015
This paper presents the Global Atmospheric Profiles derived from Reanalysis Information GAPRI database, which was designed for earth surface temperature retrieval. GAPRI is a comprehensive compilation of selected atmospheric vertical profiles at global scale which can be used for radiative transfer simulation in order to obtain generalized algorithms to estimate land surface temperature LST. GAPRI includes information on geopotential height, atmospheric pressure, air temperature, and relative humidity derived from the European Centre for Medium-Range Weather Forecasts Re-Analysis data from year 2011. The atmospheric profiles are structured for 29 vertical levels and extracted from a global …
Coincident glutamatergic depolarizations enhance GABAA receptor-dependent Cl- influx in mature and suppress Cl- efflux in immature neurons.
2021
The impact of GABAergic transmission on neuronal excitability depends on the Cl--gradient across membranes. However, the Cl--fluxes through GABAA receptors alter the intracellular Cl- concentration ([Cl-]i) and in turn attenuate GABAergic responses, a process termed ionic plasticity. Recently it has been shown that coincident glutamatergic inputs significantly affect ionic plasticity. Yet how the [Cl-]i changes depend on the properties of glutamatergic inputs and their spatiotemporal relation to GABAergic stimuli is unknown. To investigate this issue, we used compartmental biophysical models of Cl- dynamics simulating either a simple ball-and-stick topology or a reconstructed CA3 neuron. Th…
Nigral influence on focal epilepsy.
1990
The substantia nigra (SN) has been proposed as a structure involved in epileptiform phenomena. Previous investigations demonstrated that SN is able to elicit hippocampal rhythmic slow activity (RSA) as well as to inhibit hippocampal interictal spikes induced by parenteral administration of penicillin. The present series of experiments was carried out in order to characterize the action of SN on a focal model of hippocampal epilepsy. Experiments were performed on encephale isole cats in which steady epileptiform activity was induced by locally applied penicillin. Electrical stimulation of SN pars reticulata (pr) caused a statistically significant decrease of hippocampal spike frequency and a…
Neuroimaging and electrophysiology meet invasive neurostimulation for causal interrogations and modulations of brain states.
2020
Deep brain stimulation (DBS) has developed over the last twenty years into a highly effective evidenced-based treatment option for neuropsychiatric disorders. Moreover, it has become a fascinating tool to provide illustrative insights into the functioning of brain networks. New anatomical and pathophysiological models of DBS action have accelerated our understanding of neurological and psychiatric disorders and brain functioning. The description of the brain networks arose through the unique ability to illustrate long-range interactions between interconnected brain regions as derived from state-of-the-art neuroimaging (structural, diffusion, and functional MRI) and the opportunity to record…
EEG and MEG primers for tracking DBS network effects
2020
Deep brain stimulation (DBS) is an effective treatment method for a range of neurological and psychiatric disorders. It involves implantation of stimulating electrodes in a precisely guided fashion into subcortical structures and, at a later stage, chronic stimulation of these structures with an implantable pulse generator. While the DBS surgery makes it possible to both record brain activity and stimulate parts of the brain that are difficult to reach with non-invasive techniques, electroencephalography (EEG) and magnetoencephalography (MEG) provide complementary information from other brain areas, which can be used to characterize brain networks targeted through DBS. This requires, howeve…
Conformational analysis of α,β-dehydropeptide models at the HF and DFT levels
2004
Abstract The Ramachandran potential energy surfaces of N-acetyl-α,β-dehydroamino acid N′-monomethylamides Ac-ΔXaa-NHMe (ΔXaa=ΔAla, (Z)-ΔPhe; 1, 2) and N-acetyl-α,β-dehydroamino acid N′,N′-dimethylamides Ac-ΔXaa-NMe2 (ΔXaa=ΔAla, (Z)-ΔPhe, (Z)-ΔAbu; 3–5) were calculated at the HF/6-31G*//HF/3-21G level. The conformers localised were fully optimised at the DFT/B3LYP/6-31+G** level and their relative stabilities were analysed in terms of both π-conjugation and internal hydrogen bonding. The Ac-ΔXaa-NMe2 molecules reveal the low-energy conformer H/F, φ=−41±4°, ψ=128±4°, which is not too easily accessible for common amino acid residues. This conformer is stabilised by the bifurcated N2–CH3 O1 int…