Results 31 to 40 of about 226,730 (296)

Crystal structure of 3-(4-methylphenyl)-1-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazole

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C24H20N2, the dihedral angles between the pyrazole ring and the pendant phenyl, toluoyl and phenylethenyl rings are 41.50 (8), 4.41 (8) and 31.07 (8)°, respectively.
Farook Adam, Sharath Poojary Charishma, Basrur Ramya Prabhu, Seranthimata Samshuddin, Nadiah Ameram   +4 more
doaj   +1 more source

Stability and magnetic properties of Fe double-layers on Ir (111)

, 2018
We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies on an ...
Dupé, Bertrand, Dupé, Melanie, Heinze, Stefan, Sinova, Jairo   +3 more
core   +1 more source

4-(4-Chlorophenyl)-1,2,3-selenadiazole

IUCrData, 2018
In the title compound, C8H5ClN2Se, the dihedral angle between the planes of the selenadiazole and chlorophenyl rings is 16.6 (2)°. In the crystal, the packing of the molecules is consolidated by weak C—H...N hydrogen bonds, which generate [001] chains ...
K. Ravichandran, S. Ranjith, S. Sankari, M. Beemarao, M. N. Ponnuswamy   +4 more
doaj   +1 more source

Cluster-scaling, chaotic order and coherence in DNA

, 2018
Different numerical mappings of the DNA sequences have been studied using a new cluster-scaling method and the well known spectral methods. It is shown, in particular, that the nucleotide sequences in DNA molecules have robust cluster-scaling properties.
A. Bershadskii, Arneodo, Beck, Blow, Carpena, Conti, Farmer, Frisch, Hyrien, Jensen, Jun, Kaplan, Li, Li, Meinke, Ohtomo, Peng, Peyrard, Podobnik, Rhind, Saenger, Sigeti, Sigeti, Sprott, Stanley, Vaillant, Voss, Yang   +27 more
core   +1 more source

3-Nitrobenzaldehyde

IUCrData, 2018
Polymorph I of the title compound, C7H5NO3, is approximately planar: the dihedral angle between the benzene ring and the nitro group is 10.41 (4)° and the aldehyde O atom deviates from the ring plane by 0.165 (1) Å.
Antonius H.J. Engwerda, Sander J.T. Brugman, Paul Tinnemans, Elias Vlieg   +3 more
doaj   +1 more source

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

FEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva, Puspa Kunwar, Md Ibnul Rifat Rahman, Joanna Koryo Kwao, Nathan Lehman, Zihan Zhang, Trenton Paul, Claire Cheng, Nicholas Truex, Hui‐Ting Lee, Jun Zhang   +10 more
wiley   +1 more source

Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ3O,N,O′)nickel(II)]-μ-pyrazine-κ2N:N′]

Acta Crystallographica Section E: Crystallographic Communications, 2016
The title coordination polymer, [Ni(C7H3NO4)(C4H4N2)(C2H6OS)]n, consists of [010] chains composed of NiII ions linked by bis-monodentate-bridging pyrazine molecules. Each of the two crystallographically distinct NiII ions is located on a mirror plane and
Chen Liu, Annaliese E. Thuijs, Ashley C. Felts, Hamza F. Ballouk, Khalil A. Abboud   +4 more
doaj   +1 more source

Tunable Infrared Phonon Anomalies in Trilayer Graphene

, 2013
Trilayer graphene in both ABA (Bernal) and ABC (rhombohedral) stacking sequences is shown to exhibit intense infrared absorption from in-plane optical phonons. The feature, lying at ~1580 cm-1, changes strongly with electrostatic gating.
Cappelluti, Emmanuele, Heinz, Tony F., Li, Zhiqiang, Lui, Chun Hung   +3 more
core   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

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