نتایج جستجو برای: and coπ stacking interactions

تعداد نتایج: 16869577  

Journal: :Physical Chemistry Chemical Physics 2021

Preferential interactions between the imidazolium cations of ionic liquids and guanine residues in DNA groove lead to more effective stacking bases even at high temperatures, thus favoring thermal stability DNA.

Journal: :Journal of the American Chemical Society 2005
Damian A Scherlis Nicola Marzari

The pi-stacking between aromatic oligomers has been extensively studied for many years, although the notion of exploiting this phenomenon as the driving force for molecular actuation has only recently emerged. In this work we examine with MP2 and Car-Parrinello ab initio calculations the actuation properties of a novel class of thiophene-based materials introduced by Swager et al. (Adv. Mater. ...

2012
V. H. Rodrigues M. M. R. R. Costa M. Belsley E. de Matos Gomes

The title compound, C(11)H(12)N(2)O(2)·3C(6)H(5)NO(3), comprises a zwitterionic amino acid formed by two nearly planar groups: (i) the indole ring and Cβ, and (ii) the carboxyl group, Cα, as well as the amine N atom, with r.m.s. deviations of 0.0084 and 0.0038 Å, respectively. The angle between these idealized planes is 39.47 (9)°. The amine group of the amino acid is in a syn (-sc) arrangement...

Journal: :The Journal of organic chemistry 2012
Lakmini Widanapathirana Yan Zhao

The aggregation of macrocyclic oligocholates with introverted hydrophilic groups and aromatic side chains was studied by fluorescence spectroscopy and liposome leakage assays. Comparison between the solution and the membrane phase afforded insight into the solvophobically driven aggregation. The macrocycles stacked over one another in lipid membranes to form transmembrane nanopores, driven by a...

Journal: :Acta crystallographica. Section C, Crystal structure communications 2005
Jaime Portilla Jairo Quiroga Justo Cobo Manuel Nogueras John N Low Christopher Glidewell

Molecules of 5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline, C21H17N3, (I), are linked into chains by a combination of a C-H...pi(arene) hydrogen bond and a pi-pi stacking interaction; in the closely related 5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline, C22H19N3, (II), there are no hydrogen bonds and the molecules are linked into centrosymmetric dim...

Journal: :Cell 1997
Francis A Barr Magda Puype Joël Vandekerckhove Graham Warren

NEM prevents mitotic reassembly of Golgi cisternae into stacked structures. The major target of NEM is a 65 kDa protein conserved from yeast to mammals. Antibodies to this protein and a recombinant form of it block cisternal stacking in a cell-free system, justifying its designation as a Golgi ReAssembly Stacking Protein (GRASP65). One of the two minor targets of NEM is GM130, previously implic...

2015
Jungwun Hwang Brent E. Dial Ping Li Michael E. Kozik Mark D. Smith Ken D. Shimizu

In this study, the contributions of London dispersion forces to the strength of aromatic stacking interactions in solution were experimentally assessed using a small molecule model system. A series of molecular torsion balances were designed to measure an intramolecular stacking interaction via a conformational equilibrium. To probe the importance of the dispersion term, the size and polarizabi...

Journal: :Chemical science 2015
Jungwun Hwang Brent E Dial Ping Li Michael E Kozik Mark D Smith Ken D Shimizu

In this study, the contributions of London dispersion forces to the strength of aromatic stacking interactions in solution were experimentally assessed using a small molecule model system. A series of molecular torsion balances were designed to measure an intramolecular stacking interaction via a conformational equilibrium. To probe the importance of the dispersion term, the size and polarizabi...

Journal: :Physical review letters 2013
Chun Hung Lui Emmanuele Cappelluti Zhiqiang Li Tony F Heinz

Trilayer graphene in both ABA (Bernal) and ABC (rhombohedral) stacking sequences is shown to exhibit intense infrared absorption from in-plane optical phonons. The phonon feature, lying at ~1580 cm(-1), changes strongly with electrostatic gating. For ABC-stacked graphene trilayers, we observed a large enhancement in phonon absorption amplitude, as well as softening of the phonon mode, as the Fe...

2017

Grasping an object and precisely stacking it on another is a difficult task for traditional robotic control or hand-engineered approaches. Here we examine the problem in simulation and provide techniques aimed at solving it via deep reinforcement learning. We introduce two straightforward extensions to the Deep Deterministic Policy Gradient algorithm (DDPG), which make it significantly more dat...

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