Results 61 to 70 of about 615,749 (292)

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

FEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young, Omar Arias‐Gaguancela, Fiona Gibson, Morgan Grainger, Jodie Score, Amit Nathubhai, Mauricio Cafiero, Lee Richard Machado   +7 more
wiley   +1 more source

{3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosane-κ4N,N′,N′′,N′′′)bis(nitrato-κO)copper(II)

Acta Crystallographica Section E, 2012
The CuII atom in the title compound, [Cu(NO3)2(C20H40N4)], is N,N′,N′′,N′′′-chelated by the macrocyclic ligand: the four N atoms form a square, above and below which are located the O atoms of ...
Jong-Ha Choi, Md Abdus Subhan, Seik Weng Ng   +2 more
doaj   +1 more source

Strong Analytic Controllability for Hydrogen Control Systems

, 2004
The realization and representation of so(4,2) associated with the hydrogen atom Hamiltonian are derived. By choosing operators from the realization of so(4,2) as interacting Hamiltonians, a hydrogen atom control system is constructed, and it is proved ...
Chi, Quo-Shin, Clark, John W., Lan, Chunhua, Tarn, Tzyh-Jong   +3 more
core   +1 more source

Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials

Advanced Engineering Materials, EarlyView.
Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai, Xinrui Sarah Niu, Zhao Qin   +2 more
wiley   +1 more source

Hydrogen bond interactions of coumarin-153 in molecular solvents: molecular dynamics and principal component analysis

Comptes Rendus. Chimie
Hydrogen bond interactions significantly affect the coumarin-153’s (C153) photophysics, including its ability to act as a donor of weak hydrogen bonds via its 14 C–H bonds and as an acceptor via its O atoms in the ester and the carbonyl groups, as well ...
Goloviznina, Kateryna, Dudariev, Dmytro, Miannay, François-Alexandre,  Kalugin, Oleg, Koverga, Volodymyr, Takamuku, Toshiyuki, Vitale, Raffaele, Idrissi, Abdenacer   +7 more
doaj   +1 more source

[N′-(5-Chloro-2-oxidobenzyl-κO)-2,4-dihydroxybenzohydrazidato-κ2N′,O](methanol-κO)dioxidomolybdenum(VI)–4,4′-bipyridine (1/1)

Acta Crystallographica Section E, 2011
In the title co-crystal, [Mo(C14H9ClN2O4)O2(CH3OH)]·C10H8N2, the deprotonated Schiff base O,N,O′-chelates to the MoVI atom, the three atoms involved in chelation comprising the fac sites of the octahedron surrounding the methanol ...
Ngui Khiong Ngan, Richard Chee Seng Wong, Kong Mun Lo, Seik Weng Ng   +3 more
doaj   +1 more source

Gauge invariant hydrogen atom Hamiltonian

, 2010
For quantum mechanics of a charged particle in a classical external electromagnetic field, there is an apparent puzzle that the matrix element of the canonical momentum and Hamiltonian operators is gauge dependent. A resolution to this puzzle is recently
Chen, Xiang-Song, Lu, Xiao-Fu, Sun, Wei-Min, Wang, Fan   +3 more
core   +1 more source

Low‐Cost, Large‐Scale Nanoporous Metals by Mechanical Alloying, Oxide Reduction, and Dealloying of Powders

Advanced Engineering Materials, EarlyView.
Powder metal processing provides scalable advantages in nanoporous (np) metal development. Mechanical alloying is used to produce unique precursors for hybrid nanopore formation by oxide reduction and dealloying. As demonstrated in np Ag, this approach improves process efficiency while promoting smaller ligaments and larger pores, both of which are ...
Mark A. Atwater, Oliver A. Fowler
wiley   +1 more source

6-[(5-tert-Butyl-2-hydroxyanilino)methylene]cyclohexa-2,4-dienone

Acta Crystallographica Section E, 2008
In the title compound, C17H19NO2, the dihedral angle between the two aromatic rings is 26.02 (5)°. One phenol O atom is deprotonated and the N atom of the azomethine unit carries the H atom, forming an intramolecular hydrogen bond. The packing
Uwe Böhme, Sabine Fels
doaj   +1 more source

Improved theoretical prediction for the 2s hyperfine interval in helium ion

, 2005
We consider the uncertainty of theoretical calculations for a specific difference of the hyperfine intervals in the 1s and 2s states in a light hydrogen-like atom.
Ivanov S.G., Karshenboim V.G., Novick D.E., Prior E.C., S G Karshenboim, Schluessler E.N., V G Ivanov, Yerokhin V.M.   +7 more
core   +2 more sources