Results 31 to 40 of about 57,654 (217)

(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

2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2H)-one: crystal structure, Hirshfeld surface analysis and computational study

Acta Crystallographica Section E: Crystallographic Communications, 2020
The X-ray crystal structure of the title phthalazin-1-one derivative, C17H16N2O3S {systematic name: 2-[(2,4,6-trimethylbenzene)sulfonyl]-1,2-dihydrophthalazin-1-one}, features a tetrahedral sulfoxide-S atom, connected to phthalazin-1-one and mesityl ...
David Chukwuma Izuogu, Jonnie Niyi Asegbeloyin, Mukesh M. Jotani, Edward R. T. Tiekink   +3 more
doaj   +1 more source

Chlorinated Benzo[1,2‐b:4,5‐c′]dithiophene‐4,8‐dione Polymer Donor: A Small Atom Makes a Big Difference

Advanced Science, 2021
The position of a chlorine atom in a charge carrier of polymer solar cells (PSCs) is important to boost their photovoltaic performance. Herein, two chlorinated D‐A conjugated polymers PBBD‐Cl‐α and PBBD‐Cl‐β are synthesized based on two new building ...
Pengjie Chao, Hui Chen, Mingrui Pu, Yulin Zhu, Liang Han, Nan Zheng, Jiadong Zhou, Xiaoyong Chang, Daize Mo, Zengqi Xie, Hong Meng, Feng He   +11 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

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

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

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

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

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

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