Results 101 to 110 of about 952,884 (290)
Intrinsic Defects in LiMn2O4: First-Principles Calculations
ACS Omega, 2021 Xu Li +7 more
doaj +1 more source
The Superconducting Properties of Elemental Pb Under Pressure
Condensed MatterBased on first-principles calculations, we systematically investigate the crystal structure, electronic structure, and superconductivity of metallic lead under pressure.
Shu-Ke Xuan +3 more
doaj +1 more source
First principles calculations of oxygen adsorption on the UN (001) surface
, 2010 Fabrication, handling and disposal of nuclear fuel materials require comprehensive knowledge of their surface morphology and reactivity. Due to unavoidable contact with air components (even at low partial pressures), UN samples contain considerable ...
A.V. Bandura +29 more
core +1 more source
SmallTalk: a novel small‐sized fusion tag for peptide expression and purification
FEBS Open Bio, EarlyView.The SmallTalk fusion tag allows for the efficient expression and purification of soluble recombinant proteins or peptides in Escherichia coli. Testing with SmallTalk‐GFP confirmed that the proteins were soluble and folded correctly, while SmallTalk‐Bin1b maintained its antimicrobial activity against various bacterial isolates. This streamlined workflow
Atika Tariq +3 more
wiley +1 more source
Charge-Induced Structural Stability and Electronic Property of Sb, Bi, and PbTe Monolayers
MetalsFlat honeycomblike Sb and Bi monolayers have been fabricated epitaxially on Ag(111) and SiC(0001) substrates, respectively, although their freestanding structures are found to prefer a buckled form. Based on ab initio total energy calculations and phonon
Chang-Tian Wang, Yuanji Xu, Chang Zhou
doaj +1 more source
Potential super-hard Osmium di-nitride with fluorite structure: First-principles calculations
, 2006 We have performed systematic first-principles calculations on di-carbide, -nitride, -oxide and -boride of platinum and osmium with the fluorite structure. It is found that only PtN$_{2}$, OsN$_{2}$ and OsO$_{2}$ are mechanically stable. In particular OsN$
C. Kittel +15 more
core +2 more sources
FEBS Open Bio, EarlyView.What factors make for an effective digital learning tool in Higher Education? This systematic review identifies elements of a digital tool that published examples reveal to be features of an engaging and impactful digital tool. A systematic literature search yielded 25 research papers for analysis.
Akmal Arzeman +4 more
wiley +1 more source
Calculation of isotope effects from first principles
Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2000 Various means of calculating the effect of changing the mass of a given atom upon a chemical process are reviewed. Of particular interest is the deuterium isotope effect comparing the normal protium nucleus with its heavier deuterium congener. The replacement of the bridging protium in a neutral hydrogen bond such as the water dimer by a deuterium ...
openaire +3 more sources
FEBS Open Bio, EarlyView.CRISPRI‐mediated gene silencing and phenotypic exploration in nontuberculous mycobacteria. In this Research Protocol, we describe approaches to control, monitor, and quantitatively assess CRISPRI‐mediated gene silencing in M. smegmatis and M. abscessus model organisms.
Vanessa Point +7 more
wiley +1 more source
Enzymatic degradation of biopolymers in amorphous and molten states: mechanisms and applications
FEBS Open Bio, EarlyView.This review explains how polymer morphology and thermal state shape enzymatic degradation pathways, comparing amorphous and molten biopolymer structures. By integrating structure–reactivity principles with insights from thermodynamics and enzyme engineering, it highlights mechanisms that enable efficient polymer breakdown.
Anđela Pustak, Aleksandra Maršavelski
wiley +1 more source