Results 41 to 50 of about 86,769 (239)

4-{(E)-[(2-Hydroxynaphthalen-1-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one: a new polymorph (β-phase)

IUCrData, 2017
The title molecule, C22H19N3O2, is a new polymorphic modification, viz. the β-phase; the α-phase has been previously published [Liang & Wang (2010). Acta Cryst. E66, o1968–o1969].
Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Mustafa R. Albayati, Alaa F. Mohamed   +4 more
doaj   +1 more source

Exploiting the CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles [PDF]

, 2011
A novel class of supramolecular hydrogels derived from amino sugars is reported, where the self-assembly of aromatic carbohydrate amphiphiles is driven by CH-π interactions, rather than π–π stacking and H-bonding associated with gelators based on ...
Banwell, Becke, Carrillo, Chen, Chen, Eichkorn, Gao, Goyal, Grimme, Gronwald, Ikeda, Jadhav, John, Jung, Kiyonaka, Kolb, Laughrey, Laurent, Lee, Liang, Ma, Morales, Nishio, Ozbas, Plante, Plevin, Pochan, Ramirez-Gualito, Schneider, Screen, Smith, Spain, Stanca-Kaposta, Takahashi, Tatko, Tuttle, Ulijn, van Esch, Vemula, Wang, Weber, Weigend, Xu, Yan, Yan, Yang, Yang, Zhou   +47 more
core   +1 more source

Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system [PDF]

, 2017
This document is the Accepted Manuscript version of the following article: Jesus Calvo-Castro, and Callum J. McHugh, ‘Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model ...
Calvo-Castro, Jesus, McHugh, Callum J.
core   +4 more sources

Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene [PDF]

, 2009
Structural rigidity has been found to be advantageous for molecules if they are to find applications in functioning molecular devices. In the search for an understanding of the relationship between the rigidity and complex stability in mechanically ...
Benítez, Diego, Goddard, William A., III, Miljanic, Ognjen Š., Stoddart, J. Fraser, Tkatchouk, Ekaterina, Yoon, Il, Zhao, Yan-Li   +6 more
core   +2 more sources

Substrate specificity of Burkholderia pseudomallei multidrug transporters is influenced by the hydrophilic patch in the substrate‐binding pocket

FEBS Letters, EarlyView.
Multidrug transporters BpeB and BpeF from the Gram‐negative pathogen Burkholderia pseudomallei have a hydrophilic patch in their substrate‐binding pocket. Drug susceptibility tests and growth curve analyses using an Escherichia coli recombinant expression system revealed that the hydrophilic patches of BpeB and BpeF are involved in the substrate ...
Ui Okada, Satoshi Murakami
wiley   +1 more source

Anisotropic Dynamic Disorder of π‐Stacking and Static Disorder in Organic Electron Transporting Materials with Isomorphic Crystal Structures

Small Structures
In organic semiconductors, charge transport is strongly correlated with intermolecular π–π interactions and the dynamic disorder caused by solid‐state phonon vibrations.
Chae‐Won Lee, Uros Puc, Jeong Hyeon Lee, Na Young Cho, Jong Bum Lee, Yun‐Sang Lee, Jin Chul Kim, Woojin Yoon, Hoseop Yun, Seokhoon Jang, Youngu Lee, Jong H. Kim, Sang Kyu Kwak, Mojca Jazbinsek, O‐Pil Kwon   +14 more
doaj   +1 more source

Unveiling how intramolecular stacking modes of covalently linked dimers dictate photoswitching properties

Nature Communications, 2019
Covalently bridged π-stacked dimers are excellent molecular platforms for understanding the relationship between stacking orientation and properties. Here, the authors synthesize a pair of π-stacked dimers that are aligned either cofacially or crosswise,
Ru-Qiang Lu, Xiao-Yun Yan, Lei Zhu, Lin-Lin Yang, Hang Qu, Xin-Chang Wang, Ming Luo, Yu Wang, Rui Chen, Xiao-Ye Wang, Yu Lan, Jian Pei, Wengui Weng, Haiping Xia, Xiao-Yu Cao   +14 more
doaj   +1 more source

6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate

Acta Crystallographica Section E: Crystallographic Communications, 2016
The packing of the title compound, C12H9N7·H2O, is dominated by hydrogen bonding and π-stacking. Layers parallel to [010] are established by hydrogen bonds involving all amine donor functions and one of the water donor functions, while the remaining ...
Johannes Broichhagen, Yvonne E. Klingl, Dirk Trauner, Peter Mayer   +3 more
doaj   +1 more source

Absorbate-Induced Piezochromism in a Porous Molecular Crystal [PDF]

, 2015
Atmospherically stable porous frameworks and materials are interesting for heterogeneous solid–gas applications. One motivation is the direct and selective uptake of pollutant/hazardous gases, where the material produces a measurable response in the ...
Butler, KT, Chen, T-H, Cruickshank, DL, Hendon, CH, Kaveevivitchai, W, Miljanic, OS, Popov, I, Walsh, A, Wilson, CC, Wittering, KE   +9 more
core   +3 more sources

Conserved structural motifs in PAS, LOV, and CRY proteins regulate circadian rhythms and are therapeutic targets

FEBS Letters, EarlyView.
Cryptochrome and PAS/LOV proteins play intricate roles in circadian clocks where they act as both sensors and mediators of protein–protein interactions. Their ubiquitous presence in signaling networks has positioned them as targets for small‐molecule therapeutics. This review provides a structural introduction to these protein families.
Eric D. Brinckman, Anna E. Lester, Brian D. Zoltowski   +2 more
wiley   +1 more source