Results 31 to 40 of about 131,344 (242)

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

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

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

Refinement of amino‐acid conformation vs. difference density maps in time‐resolved serial femtosecond crystallography data analysis

FEBS Open Bio, EarlyView.
The dFoCC pipeline starts with observed DED and resting‐state coordinates, which are then used to generate a library of triggered states. Correlation analysis of the calculated DED features of each candidate vs observed DED permits quantitative evaluation of candidate structural quality.
Meng Iao Fong, Yuhei Hosokawa, Lars Oliver Essen, Manuel Maestre‐Reyna   +3 more
wiley   +1 more source

The crystal structure of the Borrelia burgdorferi nicotinamidase BBE22 resolves a long‐standing annotation error

FEBS Open Bio, EarlyView.
The crystal structure of Borrelia burgdorferi nicotinamidase (PncA/BBE22) reveals the correct full‐length protein initiated from a non‐canonical AUU start codon. The structure validates previous biochemical findings and resolves a long‐standing annotation error, demonstrating that the truncated database sequence is structurally incompatible with the ...
Kalvis Brangulis
wiley   +1 more source

The structure of coordination precursors as an effective tool for governing of size and morphology of ZnS and ZnO nanoparticles

Journal of Saudi Chemical Society, 2018
The zinc sulphide and zinc oxide micro- and nanoparticles of different shapes were synthesized from the five zinc coordination precursors, via controlled thermal decomposition process.
Rafal Kruszynski, Marcin Swiatkowski
doaj   +1 more source

Creating Ti–Fe α/β Alloys by Diffusion‐Driven Solid‐State Processing

Advanced Engineering Materials, EarlyView.
This study proposes making alloys containing fast diffusing elements that are difficult to produce by ingot metallurgy, by diffusion‐driven solid‐state HIP processing of elemental powders and low‐temperature homogenisation. Here, novel Fe‐Ti α–β alloys are formed having fine α–β lamellae, a small β prior grain size without significant intermetallics ...
Jiaqi Xu, Xun Zhang, Jack M. Donoghue, Albert D. Smith, Rahul Unnikrishnan, Rhys Thomas, Vahid Nekouie, Jie Luo, Dongchen Hu, Michael Preuss, Philip J. Withers   +10 more
wiley   +1 more source

Karl Popper and the Mechanisms of Hydrogen Embrittlement

Advanced Engineering Materials, EarlyView.
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley   +1 more source

Impact of Homocyclic and Heterocyclic Rings of Chalcones on Charge Transfer Behaviour: A Nonlinear Optical Study

Chemical Physics Impact
This paper presents the effects of incorporating thienyl and phenyl rings as the terminal ring in the cinnamoyl counterparts of chalcones with donor-acceptor-donor (D-A-D) push-pull setting, on their photophysical responses.
Nur Aisyah Mohamad Daud, Qin Ai Wong, Bi Sheng Ooi, Ching Kheng Quah, Farah Diana Ramzi, Yip-Foo Win, Parutagouda Shankaragouda Patil   +6 more
doaj   +1 more source

Structural Chemistry of Halide including Thallides A8Tl11X1−n (A = K, Rb, Cs; X = Cl, Br; n = 0.1–0.9)

Crystals, 2018
A8Tl11 (A = alkali metal) compounds have been known since the investigations of Corbett et al. in 1995 and are still a matter of current discussions as the compound includes one extra electron referred to the charge of the Tl117− cluster.
Stefanie Gärtner, Susanne Tiefenthaler, Nikolaus Korber, Sabine Stempfhuber, Birgit Hischa   +4 more
doaj   +1 more source