Results 21 to 30 of about 57,874 (210)

A dibenzofuran derivative: 2-(pentyloxy)dibenzo[b,d]furan

IUCrData, 2018
The title compound, C17H18O2, crystallizes in two-dimensional sheets, in which the 2-(pentyloxy)dibenzo[b,d]furan molecules are arranged in a head-to-head and tail-to-tail fashion that enables hydrophobic interactions between fully extended 2-pentoxy ...
Navneet Goyal, James P. Donahue, Camilla Do, Timothy Perry, Kyla Bongay-Williams, Maryam Foroozesh   +5 more
doaj   +1 more source

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

Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Acta Crystallographica Section E: Crystallographic Communications, 2019
A novel chalcone, C20H20O, derived from benzylidenetetralone, was synthesized via Claissen–Schmidt condensation between tetralone and 2,4,6-trimethylbenzaldehyde.
Cemile Baydere, Merve Taşçı, Necmi Dege, Mustafa Arslan, Yusuf Atalay, Irina A. Golenya   +5 more
doaj   +1 more source

(4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium

IUCrData, 2016
The crystal structure of the title compound, C16H13N3O3S, shows that the two independent zwitterions in the asymmetric unit are approximately planar.
A. Benosmane, D. A. Rouag, A. Mili, H. Merazig, M. A. Benaouida   +4 more
doaj   +1 more source

Influence of perylenediimide–pyrene supramolecular interactions on the stability of DNA-based hybrids: Importance of electrostatic complementarity

Beilstein Journal of Organic Chemistry, 2014
Aromatic π–π stacking interactions are ubiquitous in nature, medicinal chemistry and materials sciences. They play a crucial role in the stacking of nucleobases, thus stabilising the DNA double helix.
Christian B. Winiger, Simon M. Langenegger, Oleg Khorev, Robert Häner   +3 more
doaj   +1 more source

Molecular design of orthogonal stacking system at the complex interface of HtrA PDZ domain with its peptide ligands [PDF]

Journal of the Serbian Chemical Society, 2019
The high temperature requirement A (HtrA) protease plays a crucial role in protein quality control and cell fate. The enzyme contains a catalytic protease domain and a regulatory PDZ domain; the latter determines the substrate specificity of the former ...
Zhang Dingwa, He Deyong, Pan Xiaoliang, Xu Yaping, Liu Lijun   +4 more
doaj   +1 more source

Septin 9 PB domains coordinate centrosome positioning and microtubule acetylation to control epithelial polarity

FEBS Letters, EarlyView.
Septin 9 polybasic domains couple phosphoinositide‐rich membrane binding to centrosome positioning, Golgi organization, and microtubule acetylation to control epithelial polarity. Their loss disrupts this axis, causing centrosome mispositioning, Golgi fragmentation, reduced microtubule acetylation, and polarity inversion via upregulation of the ...
Ting ting Cai, Mohyeddine Omrane, Nassima Benzoubir, Didier Samuel, Ama Gassama‐Diagne   +4 more
wiley   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
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

Identifying and characterising a plant GH1 β‐glucosidase that exhibits hydrolytic activity on N‐linked glucopyranoside

FEBS Open Bio, EarlyView.
We report the first β‐glucosidase with demonstrated hydrolytic activity on an N‐linked glycopyranoside. The enzyme, native to maize, was biochemically characterised for this novel reaction, and structural modelling of the enzyme–substrate complex revealed several clues to the underlying reduced catalytic rate relative to its native O‐glycopyranoside ...
Hani Gharabli, Carlotta Chiesa, Maher Abou Hachem, Ditte Hededam Welner   +3 more
wiley   +1 more source