scholarly journals Structure and dynamics in low dimensional guest-host solids

1992 ◽  
Author(s):  
J.E. Fischer
Keyword(s):  
Structure And Dynamics ◽  
Low Dimensional

scholarly journals An isolated water droplet in the aqueous solution of a supramolecular tetrahedral cage

2020 ◽  
Vol 117 (52) ◽  
pp. 32954-32961
Author(s):  
Federico Sebastiani ◽  
Trandon A. Bender ◽  
Simone Pezzotti ◽  
Wan-Lu Li ◽  
Gerhard Schwaab ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Water Droplet ◽  
Solid Phase ◽  
Low Frequency ◽  
Ab Initio Molecular Dynamics ◽  
Water Molecules ◽  
Ambient Conditions ◽  
Structure And Dynamics ◽  
Thz Absorption ◽  
Low Dimensional

Water under nanoconfinement at ambient conditions has exhibited low-dimensional ice formation and liquid–solid phase transitions, but with structural and dynamical signatures that map onto known regions of water’s phase diagram. Using terahertz (THz) absorption spectroscopy and ab initio molecular dynamics, we have investigated the ambient water confined in a supramolecular tetrahedral assembly, and determined that a dynamically distinct network of 9 ± 1 water molecules is present within the nanocavity of the host. The low-frequency absorption spectrum and theoretical analysis of the water in the Ga4L612− host demonstrate that the structure and dynamics of the encapsulated droplet is distinct from any known phase of water. A further inference is that the release of the highly unusual encapsulated water droplet creates a strong thermodynamic driver for the high-affinity binding of guests in aqueous solution for the Ga4L612− supramolecular construct.

Characterization of a Nonlinear Mechanical System by Experimental Attractors

1991 ◽  
Author(s):  
R. Kesaraju ◽  
S. T. Noah
Keyword(s):  
Theoretical Model ◽  
Dynamical Systems ◽  
Periodic Orbits ◽  
Structure And Dynamics ◽  
Nonlinear Mechanical ◽  
Nonlinear Mechanical System ◽  
Deterministic Dynamical Systems ◽  
Low Dimensional ◽  
Invariant Characterization

Abstract Response cycles (periodic orbits) provide a detailed invariant characterization for low dimensional deterministic dynamical systems (Gunaratne and Procaccia, 1987). One can extract all the periodic orbits of order n, for n not too large, directly from the chaotic attractor and calculate their stabilities (Lyapunov exponents), Lathrop and Kostelich, 1989. This information is crucial for asserting whether two experimental attractors are the same or that a theoretical model faithfully reproduces an experimental attractor. Moreover, the periodic orbits can provide a useful characterization of the structure and dynamics of the attractor as parameters vary. This could prove to be a useful tool in failure prediction or parameter identification.

Nucleosome dynamics

2006 ◽  
Vol 73 ◽  
pp. 109-119 ◽  
Author(s):  
Chris Stockdale ◽  
Michael Bruno ◽  
Helder Ferreira ◽  
Elisa Garcia-Wilson ◽  
Nicola Wiechens ◽  
...  
Keyword(s):  
High Resolution ◽  
Chromatin Structure ◽  
Current Knowledge ◽  
Dynamic Properties ◽  
Structure And Dynamics ◽  
Nucleosome Dynamics ◽  
Sharp Focus ◽  
Recent Advances ◽  
Insight Into ◽  
Chromatin Structure And Dynamics

In the 30 years since the discovery of the nucleosome, our picture of it has come into sharp focus. The recent high-resolution structures have provided a wealth of insight into the function of the nucleosome, but they are inherently static. Our current knowledge of how nucleosomes can be reconfigured dynamically is at a much earlier stage. Here, recent advances in the understanding of chromatin structure and dynamics are highlighted. The ways in which different modes of nucleosome reconfiguration are likely to influence each other are discussed, and some of the factors likely to regulate the dynamic properties of nucleosomes are considered.

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