Browse
Submit Data
Databases
API
Help

Dataset Information

10 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Velocity of a Molecule Evaporated from a Water Nanodroplet: Maxwell-Boltzmann Statistics versus Non-Ergodic Events.

ABSTRACT: The velocity of a molecule evaporated from a mass-selected protonated water nanodroplet is measured by velocity map imaging in combination with a recently developed mass spectrometry technique. The measured velocity distributions allow probing statistical energy redistribution in ultimately small water nanodroplets after ultrafast electronic excitation. As the droplet size increases, the velocity distribution rapidly approaches the behavior expected for macroscopic droplets. However, a distinct high-velocity contribution provides evidence of molecular evaporation before complete energy redistribution, corresponding to non-ergodic events.

SUBMITTER: Abdoul-Carime H

PROVIDER: S-EPMC4678507 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Velocity of a Molecule Evaporated from a Water Nanodroplet: Maxwell-Boltzmann Statistics versus Non-Ergodic Events.

Abdoul-Carime Hassan H Berthias Francis F Feketeová Linda L Marciante Mathieu M Calvo Florent F Forquet Valérian V Chermette Henry H Farizon Bernadette B Farizon Michel M Märk Tilmann D TD

Angewandte Chemie (International ed. in English) 20151016 49

The velocity of a molecule evaporated from a mass-selected protonated water nanodroplet is measured by velocity map imaging in combination with a recently developed mass spectrometry technique. The measured velocity distributions allow probing statistical energy redistribution in ultimately small water nanodroplets after ultrafast electronic excitation. As the droplet size increases, the velocity distribution rapidly approaches the behavior expected for macroscopic droplets. However, a distinct ...[more]

PMID: 26473406

Similar Datasets

The standard map: From Boltzmann-Gibbs statistics to Tsallis statistics.

Project description:As well known, Boltzmann-Gibbs statistics is the correct way of thermostatistically approaching ergodic systems. On the other hand, nontrivial ergodicity breakdown and strong correlations typically drag the system into out-of-equilibrium states where Boltzmann-Gibbs statistics fails. For a wide class of such systems, it has been shown in recent years that the correct approach is to use Tsallis statistics instead. Here we show how the dynamics of the paradigmatic conservative (area-preserving) stan-dard map exhibits, in an exceptionally clear manner, the crossing from one statistics to the other. Our results unambiguously illustrate the domains of validity of both Boltzmann-Gibbs and Tsallis statistical distributions. Since various important physical systems from particle confinement in magnetic traps to autoionization of molecular Rydberg states, through particle dynamics in accelerators and comet dynamics, can be reduced to the standard map, our results are expected to enlighten and enable an improved interpretation of diverse experimental and observational results.

| S-EPMC4804329 | biostudies-other

Gaussian-binary restricted Boltzmann machines for modeling natural image statistics.

Project description:We present a theoretical analysis of Gaussian-binary restricted Boltzmann machines (GRBMs) from the perspective of density models. The key aspect of this analysis is to show that GRBMs can be formulated as a constrained mixture of Gaussians, which gives a much better insight into the model's capabilities and limitations. We further show that GRBMs are capable of learning meaningful features without using a regularization term and that the results are comparable to those of independent component analysis. This is illustrated for both a two-dimensional blind source separation task and for modeling natural image patches. Our findings exemplify that reported difficulties in training GRBMs are due to the failure of the training algorithm rather than the model itself. Based on our analysis we derive a better training setup and show empirically that it leads to faster and more robust training of GRBMs. Finally, we compare different sampling algorithms for training GRBMs and show that Contrastive Divergence performs better than training methods that use a persistent Markov chain.

| S-EPMC5289828 | biostudies-literature

Confining a Protein-Containing Water Nanodroplet inside Silica Nanochannels.

Project description:Incorporation of biological systems in water nanodroplets has recently emerged as a new frontier to investigate structural changes of biomolecules, with perspective applications in ultra-fast drug delivery. We report on the molecular dynamics of the digestive protein Pepsin subjected to a double confinement. The double confinement stemmed from embedding the protein inside a water nanodroplet, which in turn was caged in a nanochannel mimicking the mesoporous silica SBA-15. The nano-bio-droplet, whose size fits with the pore diameter, behaved differently depending on the protonation state of the pore surface silanols. Neutral channel sections allowed for the droplet to flow, while deprotonated sections acted as anchoring piers for the droplet. Inside the droplet, the protein, not directly bonded to the surface, showed a behavior similar to that reported for bulk water solutions, indicating that double confinement should not alter its catalytic activity. Our results suggest that nanobiodroplets, recently fabricated in volatile environments, can be encapsulated and stored in mesoporous silicas.

| S-EPMC6627703 | biostudies-literature

Protein fold recognition without Boltzmann statistics or explicit physical basis.

Project description:We present a fast method for finding optimal parameters for a low-resolution (threading) force field intended to distinguish correct from incorrect folds for a given protein sequence. In contrast to other methods, the parameterization uses information from >10(7) misfolded structures as well as a set of native sequence-structure pairs. In addition to testing the resulting force field's performance on the protein sequence threading problem, results are shown that characterize the number of parameters necessary for effective structure recognition.

| S-EPMC2143813 | biostudies-other

Beyond the Poisson-Boltzmann model: modeling biomolecule-water and water-water interactions.

Project description:We present an extension to the Poisson-Boltzmann model in which the solvent is modeled as an assembly of self-orienting dipoles of variable densities. Interactions between these dipoles are included implicitly using a Yukawa potential field. This model leads to a set of equations whose solutions give the dipole densities; we use the latter to study the organization of water around biomolecules. The computed water density profiles resemble those derived from molecular dynamics simulations. We also derive an excess free energy that discriminates correct from incorrect conformations of proteins.

| S-EPMC2664224 | biostudies-literature

Ergodic and nonergodic processes coexist in the plasma membrane as observed by single-molecule tracking.

Project description:Diffusion in the plasma membrane of living cells is often found to display anomalous dynamics. However, the mechanism underlying this diffusion pattern remains highly controversial. Here, we study the physical mechanism underlying Kv2.1 potassium channel anomalous dynamics using single-molecule tracking. Our analysis includes both time series of individual trajectories and ensemble averages. We show that an ergodic and a nonergodic process coexist in the plasma membrane. The ergodic process resembles a fractal structure with its origin in macromolecular crowding in the cell membrane. The nonergodic process is found to be regulated by transient binding to the actin cytoskeleton and can be accurately modeled by a continuous-time random walk. When the cell is treated with drugs that inhibit actin polymerization, the diffusion pattern of Kv2.1 channels recovers ergodicity. However, the fractal structure that induces anomalous diffusion remains unaltered. These results have direct implications on the regulation of membrane receptor trafficking and signaling.

| S-EPMC3081000 | biostudies-literature

Impact of Maxwell velocity slip and Smoluchowski temperature slip on CNTs with modified Fourier theory: Reiner-Philippoff model.

Project description:The present article presents a novel idea regarding the implementation of Tiwari and Das model on Reiner-Philippoff fluid (RPF) model by considering blood as a base fluid. The Cattaneo-Christov model and thermal radiative flow have been employed to study heat transfer analysis. Tiwari and Das model consider nanoparticles volume fraction for heat transfer enhancement instead of the Buongiorno model which heavily relies on thermophoresis and Brownian diffusion effects for heat transfer analysis. Maxwell velocity and Temperature slip boundary conditions have been employed at the surface of the sheet. By utilizing the suitable transformations, the modeled PDEs (partial-differential equations) are renewed in ODEs (ordinary-differential equations) and treated these equations numerically with the aid of bvp4c technique in MATLAB software. To check the reliability of the proposed scheme a comparison with available literature has been made. Other than Buongiorno nanofluid model no attempt has been made in literature to study the impact of nanoparticles on Reiner-Philippoff fluid model past a stretchable surface. This article fills this gap available in the existing literature by considering novel ideas like the implementation of carbon nanotubes, CCHF, and thermal radiation effects on Reiner-Philippoff fluid past a slippery expandable sheet. Momentum, as well as temperature slip boundary conditions, are never studied and considered before for the case of Reiner-Philippoff fluid past a slippery expandable sheet. In the light of physical effects used in this model, it is observed that heat transfer rate escalates as a result of magnification in thermal radiation parameter which is 18.5% and skin friction coefficient diminishes by the virtue of amplification in the velocity slip parameter and maximum decrement is 67.9%.

| S-EPMC8516255 | biostudies-literature

Rogue events in the group velocity horizon.

Project description:The concept of rogue waves arises from a mysterious and potentially calamitous phenomenon of oceanic surfaces. There is mounting evidence that they are actually commonplace in a variety of different physical settings. A set of defining criteria has been advanced; this set is of great generality and therefore applicable to a wide class of systems. The question arises naturally whether there are generic mechanisms responsible for extreme events in different systems. Here we argue that under suitable circumstances nonlinear interaction between weak and strong waves results in intermittent giant waves with all the signatures of rogue waves. To obtain these circumstances only a few basic conditions must be met. Then reflection of waves at the so-called group-velocity horizon occurs. The connection between rogue waves and event horizons, seemingly unrelated physical phenomena, is identified as a feature common in many different physical systems.

| S-EPMC3497260 | biostudies-other

John Maxwell Sinclair

Project description: Not available

| S-EPMC1326989 | biostudies-literature

A multi-component lattice Boltzmann approach to study the causality of plastic events.

Project description:Using a multi-component lattice Boltzmann (LB) model, we perform fluid kinetic simulations of confined and concentrated emulsions. The system presents the phenomenology of soft-glassy materials, including a Herschel-Bulkley rheology, yield stress, ageing and long relaxation time scales. Shearing the emulsion in a Couette cell below the yield stress results in plastic topological re-arrangement events which follow established empirical seismic statistical scaling laws, making this system a good candidate to study the physics of earthquakes. One characteristic of this model is the tendency for events to occur in avalanche clusters, with larger events, triggering subsequent re-arrangements. While seismologists have developed statistical tools to study correlations between events, a process to confirm causality remains elusive. We present here, a modification to our LB model, involving small, fast vibrations applied to individual droplets, effectively a macroscopic forcing, which results in the arrest of the topological plastic re-arrangements. This technique provides an excellent tool for identifying causality in plastic event clusters by examining the evolution of the dynamics after 'stopping' an event, and then checking which subsequent events disappear. This article is part of the theme issue 'Fluid dynamics, soft matter and complex systems: recent results and new methods'.

| S-EPMC7333947 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data