Results 31 to 40 of about 152,381 (262)

Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH2PO4 ferroelectric

APL Materials, 2021
The mechanism that facilitates polarization reorientation in KH2PO4 (KDP) was investigated using operando single-crystal neutron diffraction. Diffraction data were measured from a KDP single crystal during the application of alternating electric fields ...
C. M. Fancher, C. M. Hoffmann, X. P. Wang, L. L. Daemen, A. J. Schultz   +4 more
doaj   +1 more source

Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data

IUCrJ
Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb0.84CoSb was chosen as a reference material.
Romy Poppe, Nikolaj Roth, Reinhard B. Neder, Lukas Palatinus, Bo Brummerstedt Iversen, Joke Hadermann   +5 more
doaj   +1 more source

Redetermination of LaZn5 based on single crystal X-ray diffraction data

Acta Crystallographica Section E, 2012
The crystal structure of the already known binary title compound LaZn5 (lanthanum pentazinc) (space group P6/mmm, Pearson symbol hP6, CaCu5 structure type) has been redetermined from single-crystal X-ray diffraction data.
Igor Oshchapovsky, Oksana Zelinska, Beata Rozdzynska-Kielbik, Volodymyr Pavlyuk   +3 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

Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2

IUCrJ, 2022
In contrast to perfectly periodic crystals, materials with short-range order produce diffraction patterns that contain both Bragg reflections and diffuse scattering.
Romy Poppe, Daphne Vandemeulebroucke, Reinhard B. Neder, Joke Hadermann   +3 more
doaj   +1 more source

C2α‐carbanion‐protonating glutamate discloses tradeoffs between substrate accommodation and reaction rate in actinobacterial 2‐hydroxyacyl‐CoA lyase

FEBS Open Bio, EarlyView.
Enzymes of the 2‐hydroxyacyl‐CoA lyase group catalyze the condensation of formyl‐CoA with aldehydes or ketones. Thus, by structural adaptation of active sites, practically any pharmaceutically and industrially important 2‐hydroxyacid could be biotechnologically synthesized. Combining crystal structure analysis, active site mutations and kinetic assays,
Michael Zahn, Barbara Seroka, Ryszard Lazny, Zenon Lotowski, Thore Rohwerder   +4 more
wiley   +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

Cr5B3 with the Shastry–Sutherland lattices

Acta Crystallographica Section E: Crystallographic Communications
The structural parameters of pentachromium triboride, Cr5B3, with Shastry–Sutherland lattices were refined based on single-crystal X-ray diffraction data. Cr5B3 crystallizes in the space group I4/mcm (No.
Makoto Tokuda, Kunio Yubuta, Toetsu Shishido, Kazumasa Sugiyama   +3 more
doaj   +1 more source

Evolutionarily divergent DUF4465 domains have a common vitamin B12‐binding function

FEBS Open Bio, EarlyView.
We show that DUF4465 family proteins, widespread across bacteria from gut microbiomes, hydrothermal vents, and soil, share a common vitamin B12‐binding function. These augmented β‐jellyroll proteins bind vitamin B12 via extended loops. Our findings establish sequence‐diverse DUF4465 proteins as a widespread class of B12‐binding proteins, highlighting ...
Charlea Clarke, Michal Banasik, Rokas Juodeikis, Martin J. Warren, Richard W. Pickersgill   +4 more
wiley   +1 more source

Nonlinear optical behaviour of bis (cytosinium) tartarate monohydrate single crystal

Chemical Physics Impact, 2022
A nonlinear optical single crystal of bis (cytosinium) tartarate monohydrate (BCTM) was grown by slow evaporation method at room temperature. Single crystal X-ray diffraction study revealed their cell parameters and corresponding space group.
P. Jaikumar, T. Balakrishnan, C. Indumathi, T.C. Sabari Girisun, K. Ramamurthi   +4 more
doaj   +1 more source