Conformational control of electron delocalisation in geometrically-constrained, binuclear ruthenium(ii) bis(2,2′:6′,2″-terpyridine) complexes

2004 ◽  
Vol 6 (5) ◽  
pp. 875-877 ◽  
Author(s):  
Andrew C. Benniston ◽  
Anthony Harriman ◽  
Peiyi Li ◽  
Craig A. Sams
Keyword(s):  
Conformational Control ◽  
Geometrically Constrained

scholarly journals Methylation of geometrically constrained lysine analogues by histone lysine methyltransferases

2020 ◽  
Vol 56 (20) ◽  
pp. 3039-3042 ◽  
Author(s):  
Abbas H. K. Al Temimi ◽  
Paul B. White ◽  
Marcus J. M. Mulders ◽  
Nicole G. A. van der Linden ◽  
Richard H. Blaauw ◽  
...  
Keyword(s):  
Substrate Specificity ◽  
Histone Lysine ◽  
Lysine Methyltransferases ◽  
Geometrically Constrained ◽  
Histone Lysine Methyltransferases

Histone lysine methyltransferases (KMTs) exhibit substrate specificity for lysine and its geometrically constrained mimics.

scholarly journals Front Cover: Two‐step Conformational Control of a Dibenzo Diazacyclooctane Derivative by Stepwise Protonation (Asian J. Org. Chem. 6/2021)

2021 ◽  
Vol 10 (6) ◽  
pp. 1216-1216
Author(s):  
Fumitaka Ishiwari ◽  
Sayuri Miyake ◽  
Keiki Inoue ◽  
Keiji Hirose ◽  
Takanori Fukushima ◽  
...  
Keyword(s):  
Conformational Control ◽  
Front Cover

scholarly journals Magnetisation Processes in Geometrically Frustrated Spin Networks with Self-Assembled Cliques

Entropy ◽  
2020 ◽  
Vol 22 (3) ◽  
pp. 336 ◽  
Author(s):  
Bosiljka Tadić ◽  
Miroslav Andjelković ◽  
Milovan Šuvakov ◽  
Geoff J. Rodgers
Keyword(s):  
Domain Walls ◽  
Spin Dynamics ◽  
Higher Order ◽  
Spin Networks ◽  
Graph Theoretic ◽  
Geometrically Frustrated ◽  
Geometric Frustration ◽  
Antiferromagnetic Materials ◽  
Geometrically Constrained ◽  
Ferromagnetic Interactions

Functional designs of nanostructured materials seek to exploit the potential of complex morphologies and disorder. In this context, the spin dynamics in disordered antiferromagnetic materials present a significant challenge due to induced geometric frustration. Here we analyse the processes of magnetisation reversal driven by an external field in generalised spin networks with higher-order connectivity and antiferromagnetic defects. Using the model in (Tadić et al. Arxiv:1912.02433), we grow nanonetworks with geometrically constrained self-assemblies of simplexes (cliques) of a given size n, and with probability p each simplex possesses a defect edge affecting its binding, leading to a tree-like pattern of defects. The Ising spins are attached to vertices and have ferromagnetic interactions, while antiferromagnetic couplings apply between pairs of spins along each defect edge. Thus, a defect edge induces n − 2 frustrated triangles per n-clique participating in a larger-scale complex. We determine several topological, entropic, and graph-theoretic measures to characterise the structures of these assemblies. Further, we show how the sizes of simplexes building the aggregates with a given pattern of defects affects the magnetisation curves, the length of the domain walls and the shape of the hysteresis loop. The hysteresis shows a sequence of plateaus of fractional magnetisation and multiscale fluctuations in the passage between them. For fully antiferromagnetic interactions, the loop splits into two parts only in mono-disperse assemblies of cliques consisting of an odd number of vertices n. At the same time, remnant magnetisation occurs when n is even, and in poly-disperse assemblies of cliques in the range n ∈ [ 2 , 10 ] . These results shed light on spin dynamics in complex nanomagnetic assemblies in which geometric frustration arises in the interplay of higher-order connectivity and antiferromagnetic interactions.

scholarly journals Construction of a cross-layer linked G-octamer via conformational control: a stable G-quadruplex in H-bond competitive solvents

2019 ◽  
Vol 10 (15) ◽  
pp. 4192-4199 ◽  
Author(s):  
Ying He ◽  
Yanbin Zhang ◽  
Lukasz Wojtas ◽  
Novruz G. Akhmedov ◽  
David Thai ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Cross Layer ◽  
Conformational Control ◽  
G Quadruplex ◽  
Improved Stability ◽  
First Time

A discrete and well-defined G-octamer system has been established through conformational design of monomers. The crystal structures of G-octamers were obtained for the first time. The covalent linked G-quadruplex exhibited significantly improved stability in both methanol and DMSO.

Energy method for modelling delamination buckling in geometrically constrained systems

2003 ◽  
Vol 217 (9) ◽  
pp. 1015-1026 ◽  
Author(s):  
B J Hicks ◽  
G Mullineux ◽  
C Berry ◽  
C J McPherson ◽  
A J Medland
Keyword(s):  
Finite Element ◽  
Full Range ◽  
Constrained Systems ◽  
Third Party ◽  
Constrained System ◽  
Finite Element Approach ◽  
Delamination Buckling ◽  
Element Approach ◽  
Geometrically Constrained ◽  
Energy Formulation

Delamination buckling analysis of laminates is of considerable interest to the mechanical and materials engineering sectors, as well as having wider applications in geology and civil engineering. With advances in computing power, the ability to model ever increasingly complex problems at more detailed levels becomes more of a reality. However, many of the common finite element packages, with the exception of all but the most specialized, do not perform particularly well where complex non-linear problems are dealt with. In many cases, these packages can fail to determine the full range of solutions or accurately predict the properties and geometry of the final state. This is particularly the case where large deformations and buckling of laminates are considered. Because of this, many researchers prefer to use what they perceive to be more reliable techniques, such as the symbolic computation of the underlying differential equations, rather than finite element approaches. The use of finite element packages is further frustrated by the steep learning curve and implicit restrictions imposed by using third-party software. In this paper, a finite element approach and an energy formulation method are considered and used to model the delamination buckling in a geometrically constrained system. These methods are compared with experimental results and their relative merits are discussed. In particular, the accuracy and the ability to represent the geometry of the buckled system are discussed. Both the finite element approach and the energy formulation are described in detail and the numerical results are compared.

scholarly journals Geometrically constrained two-tensor model for crossing tracts in DWI

2006 ◽  
Vol 24 (9) ◽  
pp. 1263-1270 ◽  
Author(s):  
Sharon Peled ◽  
Ola Friman ◽  
Ferenc Jolesz ◽  
Carl-Fredrik Westin
Keyword(s):  
Tensor Model ◽  
Geometrically Constrained
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