Results 41 to 50 of about 287,848 (276)

Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2019
The molecular structure of the title chalcone derivative, C15H10FNO3, is nearly planar and the molecule adopts a trans configuration with respect to the C=C double bond.
Qin Ai Wong, Tze Shyang Chia, Huey Chong Kwong, C. S. Chidan Kumar, Ching Kheng Quah, Md. Azharul Arafath   +5 more
doaj   +1 more source

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

N-{(Z)-3-Oxo-3-[(E)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide

IUCrData, 2016
In the title compound, C20H16N4O2S, the thiophene ring subtends dihedral angles of 58.6 (3) and 9.8 (3)° with the benzamide and pyridine rings, respectively, whereas these two rings are inclined to one another by 59.3 (3)°. There is an intramolecular C—H.
Devinder K. Sharma, K. N. Subbulakshmi, B. Narayana, B. K. Sarojini, Sumati Anthal, Rajni Kant   +5 more
doaj   +1 more source

Regio-selective substitution at the 1,3- and 6,8-positions of pyrene for the construction of small dipolar molecules [PDF]

, 2015
© 2015 American Chemical Society. This article presents a novel asymmetrical functionalization strategy for the construction of dipolar molecules via efficient regioselective functionalization along the Z-axis of pyrene at both the 1,3- and 6,8-positions.
Elsegood, Mark R. J., Feng, Xing, Horsburgh, Lynne, Hu, Jian-Yong, Redshaw, Carl, Teat, Simon J., Tomiyasu, Hirotsugu, Wei, Xianfu, Yamato, Takehiko   +8 more
core   +8 more sources

A methionine‐lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase

FEBS Letters, EarlyView.
This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel, Carl P. O. Helmer, Shani Zev, Ronja Driller, Emily Buhr, Markus Reinbold, Renana Schwartz, Gabriel Foley, Mikael Boden, Daniel Garbe, Gerhard Schenk, Dan Thomas Major, Bernhard Loll, Thomas Brück   +13 more
wiley   +1 more source

Homo- and Heteroleptic Copper(I) Complexes with Diazabutadiene Ligands: Synthesis, Solution- and Solid-State Structural Studies [PDF]

, 2016
The preparation of novel copper(I) complexes of diazabutadiene (DAB) ligands with aliphatic backbones is reported. [Cu(DABR)2](BF4), [Cu(DABR)(NCMe)2](BF4) and [CuCl(DABR)] are easily synthesised and air-stable.
Diez-Gonzalez, S, Frutos-Pedreño, R, Markalain-Barta, J, Vega-Isa, E, White, AJP, Zelenay, B   +5 more
core   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

FEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei, Fredrik Orädd, Konstantinos Magkakis, Magnus Andersson   +3 more
wiley   +1 more source

Resonant X-ray diffraction studies on the charge ordering in magnetite

, 2006
Here we show that the low temperature phase of magnetite is associated with an effective, although fractional, ordering of the charge. Evidence and a quantitative evaluation of the atomic charges are achieved by using resonant x-ray diffraction (RXD ...
C. Marin, D. Mannix, E. Nazarenko, E. J. W. Verwey, J. E. Lorenzo, J. L. Hodeau, J. Philip, R. Hughes, Y. Joly   +8 more
core   +1 more source

Near IR luminescent rare earth 3,4,5,6-tetrafluoro-2-nitrophenoxide complexes: Synthesis, X-ray crystallography and spectroscopy [PDF]

, 2008
NOTICE: this is the author’s version of a work that was accepted for publication in Near IR luminescent rare earth 3,4,5,6-tetrafluoro-2-nitrophenoxide complexes: Synthesis, X-ray crystallography and spectroscopy.
Abrahams, I, Gillin, WP, Motevalli, M, Tan, RHC, Wyatt, PB, Zheng, YX   +5 more
core   +1 more source

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

FEBS Open Bio, EarlyView.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill, Yelyzaveta Pulnova, Elke De Zitter, Helen M. Ginn, Briony A. Yorke   +4 more
wiley   +1 more source