Results 51 to 60 of about 598,727 (266)

Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methylphenyl)sulfinyl]-1-benzofuran

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzofuran [r.m.s. deviation = 0.025 (2) Å] and the 2-methylbenzene rings is 87.87 (5)°.
Hong Dae Choi, Uk Lee
doaj   +1 more source

Intramolecular C−H···π Interactions in Metal-Porphyrin Complexes [PDF]

, 2014
: Cambridge Structural Database (CSD) was screened in order to find intramolecular C−H···π interactions with a chelate ring of coordinated porphyrin. It was found 154 crystal structures with 244 intramolecular C−H···π interactions in transition metal ...
Miloš K. Milčić, Vesna Medaković, Goran A. Bogdanović, Snežana D. Zarić   +3 more
core  

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Isomeric and Isostructural Oligothienylsilanes–Structurally Similar, Physicochemically Different: The Effect of Interplay between C–H···C(π), S···C(π), and Chalcogen S···S Interactions [PDF]

, 2016
The solid state and solution properties of tris­(2-thienyl)­methylsilane, I, tetrakis­(2-thienyl)­silane, III, and their positional isomers bearing 3-thienyl groups (II and IV) were investigated and compared.
Krzysztof Durka (1440862), Krzysztof Gontarczyk (2880569), Krzysztof Woźniak (1440874), Sergiusz Luliński (1580500), Janusz Serwatowski (1440871)   +4 more
core   +1 more source

Structure of anisole derivatives by total neutron and X-ray scattering: Evidences of weak C H⋯O and C H⋯π interactions in the liquid state [PDF]

, 2020
High resolution, total neutron and X-ray scattering data have been used in synergy with Molecular Dynamics simulations to access atomistic scale insight into the structure of anisole and 2,3,5-trimethylanisole, two aromatic compounds bearing an electron ...
Gartner S., Sabrina Gärtner, Leonelli F., Francesca Leonelli, Plechkova N. V., Dean S. Keeble, Triolo A, Keeble DS, Russina O., Olga Russina, Plechkova NV, Triolo A., Russina O, Keeble D. S., Celso FL, Gaertner S, Leonelli F, Fabrizio Lo Celso, Lo Celso F., Alessandro Triolo, Natalia V. Plechkova   +20 more
core   +1 more source

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

Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine

Acta Crystallographica Section E: Crystallographic Communications
In the title compound, C16H17BF2N2OSi, the molecular conformation is consolidated by an intramolecular C—H...O hydrogen bond, forming an S(6) motif. In the crystal, pairs of molecules are connected by C—H...π and π–π interactions [centroid-to-centroid ...
Dmitriy M. Shchevnikov, Alexandra G. Kutasevich, Victor N. Khrustalev, Narmina A. Guliyeva, Khudayar I. Hasanov, Mehmet Akkurt, Gizachew Mulugeta Manahelohe   +6 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

C–H/π and C–H–O Interactions in Concert: A Study of the Anisole–Methane Complex using Resonant Ionization and Velocity Mapped Ion Imaging [PDF]

, 2019
Noncovalent forces such as hydrogen bonding, halogen bonding, π–π stacking, and C–H/π and C–H/O interactions hold the key to such chemical processes as protein folding, molecular self-assembly, and drug–substrate interactions.
John L. Loman (6552815), Scott A. Reid (747975), Kokkin, Damian, Damian L. Kokkin (1868020), Makuvaza, James, Reid, Scott A., Loman, John, James T. Makuvaza (6552812)   +7 more
core   +2 more sources

Probing Halogen-π versus CH-π Interactions in Molecular Balance [PDF]

, 2020
Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen-π and CH-π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact ...
Mecinovic, J., Bickelhaupt, F.M., Bickelhaupt, F. Matthias, Jian, J., Poater, J., Mecinović, Jasmin, McKenzie, C. J., White, Paul B., McKenzie, Christine J.; id_orcid, Jian, Jie, Mckenzie, Christine J., White, P.B., Poater, Jordi, Mecinović, Jasmin; id_orcid   +13 more
core   +1 more source