Results 41 to 50 of about 299,162 (292)

Effect of Cr atom doping on the carbide stability and mechanical properties of high carbon chromium bearing steels

Journal of Materials Research and Technology, 2023
Carbides (MC, M3C and M7C3 at different Cr doping concentrations), as important influencing factors for the properties of high-carbon chromium bearing steel, their molecular transformation processes, structural stability, mechanical properties and ...
Qian Feng, Junguo Li, Yanan Zeng, Yitong Wang, Yajun Wang, Bao Liu, Guozhang Tang   +6 more
doaj   +1 more source

The newfound relationship between extrachromosomal DNAs and excised signal circles

FEBS Letters, EarlyView.
Extrachromosomal DNAs (ecDNAs) contribute to the progression of many human cancers. In addition, circular DNA by‐products of V(D)J recombination, excised signal circles (ESCs), have roles in cancer progression but have largely been overlooked. In this Review, we explore the roles of ecDNAs and ESCs in cancer development, and highlight why these ...
Dylan Casey, Zeqian Gao, Joan Boyes
wiley   +1 more source

Research on the Effect of Carbon Defects on the Hydrophilicity of Coal Pyrite Surface from the Insight of Quantum Chemistry

Molecules, 2019
To investigate the effect of carbon defects on the hydrophilicity of the whole surface of the coal pyrite, the adsorption of the single H2O molecule at different sites of the coal pyrite surface was studied with the DFT calculation.
Peng Xi, Ruixin Ma, Wenli Liu
doaj   +1 more source

Local structure of REFeAsO (RE=La, Pr, Nd, Sm) oxypnictides studied by Fe K-edge EXAFS

, 2009
Local structure of REOFeAs (RE=La, Pr, Nd, Sm) system has been studied as a function of chemical pressure varied due to different rare-earth size. Fe K-edge extended X-ray absorption fine structure (EXAFS) measurements in the fluorescence mode has ...
A. BIANCONI, A. IADECOLA, B. JOSEPH, D. MAHAJAN, L. SIMONELLI, M. FILIPPI, M. FRATINI, N.L. SAINI, S. AGRESTINI   +8 more
core   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

FEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li, Pedro A. Sánchez‐Murcia, Bernd Nidetzky   +2 more
wiley   +1 more source

Ionic Kratzer bond theory and vibrational levels for achiral covalent bond HH [PDF]

, 2008
A dihydrogen Hamiltonian reduces to the Sommerfeld-Kratzer-potential, adapted for field quantization according to old-quantum theory. Constants omega_e, k_e and r_e needed for the H_2 vibrational system derive solely from hydrogen mass m_H.
Van Hooydonk, G.
core   +2 more sources

Electronic redistribution around oxygen atoms in silicate melts by ab initio molecular dynamics simulation

, 2011
The structure around oxygen atoms of four silicate liquids (silica, rhyolite, a model basalt and enstatite) is evaluated by ab initio molecular dynamics simulation.
Alfè, Allwardt, Ashbrook, B. Guillot, Bachelet, Bader, Becke, Benoit, Car, Charpentier, Clark, Clark, Courtial, de Koker, de Koker, Dirken, Guillot, Hawthorne, Heaton, Hohenberg, Hudon, Hutter, Ispas, Karki, Karki, Kleinman, Knoche, Kohn, Lee, Lee, Lee, Lee, Lee, Lee, Lee, Levien, Liu, Marzari, Mulliken, Mysen, N. Sator, Neuville, R. Vuilleumier, Resta, Rotenberg, Saksaengwijit, Saksaengwijit, Sarnthein, Silvestrelli, Silvestrelli, Silvestrelli, Stebbins, Stebbins, Stixrude, Taniguchi, Troullier, Vanderbilt, Vermillion, Vuilleumier, Wan, Wannier, Wu, Wu   +62 more
core   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Decomposition of d- and f-Shell Contributions to Uranium Bonding from the Quantum Theory of Atoms in Molecules: Application to Uranium and Uranyl Halides

Inorganics, 2018
The electronic structures of a series of uranium hexahalide and uranyl tetrahalide complexes were simulated at the density functional theoretical (DFT) level.
Jonathan Tanti, Meghan Lincoln, Andy Kerridge   +2 more
doaj   +1 more source

Tough self-reporting elastomer with NIR induced shape memory effect

Giant, 2021
Multi-responsive polymers have attracted great attention in materials science. Herein, we report a tough self-reporting polyurethane elastomer with near infrared light induced shape memory.
Liulin Yang, Pufan Ouyang, Yuan Chen, Shishuai Xiang, Yonghong Ruan, Wengui Weng, Xumin He, Haiping Xia   +7 more
doaj   +1 more source