Results 11 to 20 of about 287,848 (276)

A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography [PDF]

, 2015
In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to ...
Madsen, A, Van Thor, JJ
core   +2 more sources

Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction. [PDF]

, 2020
Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers.
Holton, James M, Kern, Jan, Sauter, Nicholas K, Yano, Junko   +3 more
core   +2 more sources

Crystal structures, DFT studies and UV–visible absorption spectra of two anthracenyl chalcone derivatives

Acta Crystallographica Section E: Crystallographic Communications, 2018
The crystal structures of (E)-1-(anthracen-9-yl)-3-(3H-indol-2-yl)prop-2-en-1-one, C25H17NO, and (E)-1-(anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one, C29H23NO, are reported.
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

(E)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C31H20O, was synthesized using a Claisen–Schmidt condensation. The enone group adopts an s-trans conformation and the anthracene ring systems are twisted at angles of 85.21 (19) and 83.98 (19)° from the enone plane.
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives

Acta Crystallographica Section E: Crystallographic Communications, 2018
The molecular and crystal structure of two new chalcone derivatives, (E)-1-(anthracen-9-yl)-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one, C28H25NO, (I), and (E)-1-(anthracen-9-yl)-3-[4-(diphenylamino)phenyl]prop-2-en-1-one, C35H25NO, (II), with the fused ...
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

MicroED data collection and processing. [PDF]

, 2015
MicroED, a method at the intersection of X-ray crystallography and electron cryo-microscopy, has rapidly progressed by exploiting advances in both fields and has already been successfully employed to determine the atomic structures of several proteins ...
de la Cruz, M Jason, Gonen, Tamir, Hattne, Johan, Leslie, Andrew GW, Nannenga, Brent L, Reyes, Francis E, Shi, Dan   +6 more
core   +1 more source

Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthracen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phenyl]prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title chalcones, C31H23NO and C35H23NO, were synthesized via Claisen–Schmidt condensation reactions. Both structures were solved and refined using single-crystal X-ray diffraction data and optimized at the ground state using the density functional ...
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

The LBFGS Quasi-Newtonian Method for Molecular Modeling Prion AGAAAAGA Amyloid Fibrils [PDF]

, 2012
Experimental X-ray crystallography, NMR (Nuclear Magnetic Resonance) spectroscopy, dual polarization interferometry, etc are indeed very powerful tools to determine the 3-Dimensional structure of a protein (including the membrane protein); theoretical ...
Hou, Yating, Wang, Changyu, Wang, Yiju, Zhang, Jiapu, Zhang, Xiangsun   +4 more
core   +3 more sources

The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title chalcone compounds, C27H18O (I) and C33H20O (II), were synthesized using a Claisen–Schmidt condensation. Both compounds display an s-trans configuration of the enone moiety.
Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad   +2 more
doaj   +1 more source

Micro-CT Study of Mongolian Gerbil Humeral Bone After Prolonged Spaceflight Based on a New Algorithm for Delimitation of Long-Bone Regions

Frontiers in Physiology, 2021
The Mongolian gerbil displays unique physiological and anatomical features that make this species an attractive object for biological experiments in space.
Yuri S. Krivonosov, Victoria I. Gulimova, Alexey V. Buzmakov, Denis A. Zolotov, Alessia Cedola, Inna Bukreeva, Inna Bukreeva, Victor E. Asadchikov, Sergey V. Saveliev   +8 more
doaj   +1 more source