Results 31 to 40 of about 55,853 (258)
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 +3 more
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Acta Crystallographica Section E: Crystallographic Communications, 2023 The crystal structures of three S-(pyridin-2-yl) benzothioesters with varying para-phenyl substituents are presented, namely, S-(pyridin-2-yl) 4-nitrobenzothioate (1, C12H8N2O3S), S-(pyridin-2-yl) 4-methylbenzothioate (2, C13H11NO2S) and S-(pyridin-2-yl)
Harry C. Sample +2 more
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π−π Interactions Affect Coordination Geometries [PDF]
, 2016 We explore the effect of π−π interactions in the complexes of mercury halides containing the N-(naphthyl)-2-pyrazine carboxamide ligand (L1) in the coordination geometry of the central metal. Results show molecular packing features have a dramatic effect
Hamid Reza Khavasi (606027) +1 more
core +1 more source
Applications of Computational Protein Design [PDF]
, 2006 Computational protein design determines the amino acid sequence(s) that will adopt a desired fold. It allows the sampling of a large sequence space in a short amount of time compared to experimental methods.
Mao, Jessica
core +1 more source
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 +4 more
doaj +1 more source
The effect of hydrogen bonding on the π depletion and the π-π stacking interaction [PDF]
Non-covalent interactions such as hydrogen bonding and π–π stacking are essential types of interactions governing molecular self-assembly. The π–π stacking ability of aromatic rings depends on the electron density of the π orbitals, which is affected by ...
Sundholm, D, Johansson, MP, Ahmed, U
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Fluorine directed two-dimensional cruciform π π stacking in diketopyrrolopyrroles [PDF]
, 2016 Enhanced bulk dimensionality in organic materials employed in optoelectronic devices is desirable and can overcome fabrication issues related to structural defects and grain boundaries.
Callum J. McHugh +8 more
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pH‐mediated activation of the lysosomal arginine sensor SLC38A9
FEBS Letters, EarlyView.Cells monitor nutrient levels via the lysosomal transporter SLC38A9 to activate the mechanistic target of rapamycin complex 1 (mTORC1). This study reveals that SLC38A9 function is regulated by pH. We identified histidine 544 as a critical pH sensor that undergoes conformational changes to control amino acid efflux from lysosomes; therefore, it ...
Xuelang Mu, Ampon Sae Her, Tamir Gonen
wiley +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 +4 more
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Self-Assembled Monolayers of Aromatic Thiols Stabilized by Parallel-Displaced π−π Stacking Interactions [PDF]
, 2016 Parallel-displaced π−π stacking interactions have been known to be the dominant force in stabilizing the double helical structure of DNA and the tertiary structure of proteins.
Jin-Feng Jia (2161417) +10 more
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