Results 41 to 50 of about 1,995,300 (274)

Consolidate Overview of Ribonucleic Acid Molecular Dynamics: From Molecular Movements to Material Innovations

Advanced Engineering Materials, EarlyView.
Molecular dynamics simulations are advancing the study of ribonucleic acid (RNA) and RNA‐conjugated molecules. These developments include improvements in force fields, long‐timescale dynamics, and coarse‐grained models, addressing limitations and refining methods.
Kanchan Yadav, Iksoo Jang, Jong Bum Lee
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

Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics

International Journal of Molecular Sciences, 2018
Protein structural biology came a long way since the determination of the first three-dimensional structure of myoglobin about six decades ago. Across this period, X-ray crystallography was the most important experimental method for gaining atomic ...
Ashutosh Srivastava, T. Nagai, A. Srivastava, O. Miyashita, F. Tama   +4 more
semanticscholar   +1 more source

Investigation of Iron‐Aluminide‐Like Phase Composition in Complex Concentrated Fe32Cu12Ni11Ti16Al29 Alloy

Advanced Engineering Materials, EarlyView.
This work reveals the phase composition and quantitative morphology analysis of precipitation‐hardened Fe32Cu12Ni11Ti16Al29 complex‐concentrated alloy. The precipitates are shown to have a high coherency. Morphology transition between sphere, cuboidal, and elongated morphology is observed. Finally, the overaging behavior is captured using microhardness.
Rostyslav Nizinkovskyi, Lukas Hanisch, Georg Hasemann, Puspendu Sahu, Manja Krüger   +4 more
wiley   +1 more source

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

Rapid sample delivery for megahertz serial crystallography at X-ray FELs

IUCrJ, 2018
Sample delivery is a major challenge to performing serial crystallography experiments at upcoming high-repetition-rate X-ray free-electron lasers. The feasibility of using gas-driven liquid jets for this purpose at the FLASH facility in Hamburg has been ...
M. Wiedorn, S. Awel, A. Morgan, K. Ayyer, Y. Gevorkov, H. Fleckenstein, N. Roth, L. Adriano, R. Bean, K. Beyerlein, Joe P. J. Chen, J. Coe, F. Cruz-Mazo, T. Ekeberg, R. Graceffa, M. Heymann, D. Horke, J. Knoška, V. Mariani, Reza Nazari, D. Oberthür, A. Samanta, R. Sierra, C. Stan, O. Yefanov, D. Rompotis, J. Correa, B. Erk, R. Treusch, J. Schulz, B. Hogue, A. Gañán-Calvo, P. Fromme, J. Küpper, A. Rode, S. Bajt, R. Kirian, H. Chapman   +37 more
semanticscholar   +1 more source

X-Ray Crystallography [PDF]

Nature, 1962
Direct Methods in Crystallography By M. M. Woolfson. (Monographs on the Physics and Chemistry of Materials.) Pp. viii + 144. (Oxford: Clarendon Press; London: Oxford University Press. 1961.) 30s. net.
openaire   +2 more sources

X-ray lasers and serial crystallography [PDF]

IUCrJ, 2015
A summary is given of the achievements and opportunities which resulted from the first use of an X-ray laser for serial crystallography and related methods in 2009.
openaire   +5 more sources

Reactive Interaction and Wetting of Fe‐ and Mn‐Containing, Secondary AlSi Alloys with Manganese Oxide Ceramic Filter Material for Fe Removal

Advanced Engineering Materials, EarlyView.
Fe‐ and Mn‐containing AlSi alloys undergo aluminothermic reaction with Mn oxide in sessile‐drop and crucible experiments forming poor‐wetting Al2O3 while Mn enriches in the alloy. Primary Fe‐containing particles are preferentially attached to the Mn oxide.
Hanka Becker, Simon Waschull, Beate Fankhänel, Claudia Voigt, Alexandros Charitos, Christos G. Aneziris, Andreas Leineweber   +6 more
wiley   +1 more source

The birth of X-ray crystallography [PDF]

Nature, 2012
A century ago this week, physicist Lawrence Bragg announced an equation that revolutionized fields from mineralogy to biology, writes John Meurig Thomas.
openaire   +2 more sources