Results 41 to 50 of about 4,252,696 (304)
Potential energy surfaces for gas-surface reactions [PDF]
Physical Chemistry Chemical Physics, 2011 A method for constructing the potential energy surface for reactions of a molecule with the surface of cleaved non-conducting crystals is reported. The method uses systematic fragmentation to express the total potential in terms of potential energy surfaces which describe reactions of relatively small molecules in the gas phase.
Frankcombe, Terry, Collins, Michael
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Triangulating Surfaces with Bounded Energy
The Journal of Geometric Analysis, 2022 AbstractWe show that if a closed Lipschitz surface in $${\mathbb {R}}^n$$ R n has bounded Kolasinski–Menger energy, then it can be triangulated with triangles whose number is bounded by the energy and the area. Each
Maciej Borodzik, Monika Szczepanowska
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In situ molecular organization and heterogeneity of the Legionella Dot/Icm T4SS
FEBS Letters, EarlyView.We present a nearly complete in situ model of the Legionella Dot/Icm type IV secretion system, revealing its central secretion channel and identifying new components. Using cryo‐electron tomography with AI‐based modeling, our work highlights the structure, variability, and mechanism of this complex nanomachine, advancing understanding of bacterial ...
Przemysław Dutka +11 more
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Evolution of anodic stress corrosion cracking in a coated material [PDF]
, 2010 In the present paper, we investigate the influence of corrosion driving forces and interfacial toughness for a coated material subjected to mechanical loading. If the protective coating is cracked, the substrate material may become exposed to a corrosive
Bjerkén, C., Ortiz, M.
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Multilayer relaxation and surface energies of metallic surfaces [PDF]
Surface Science, 1994 The perpendicular and parallel multilayer relaxations of fcc (210) surfaces are studied using equivalent crystal theory (ECT). A comparison with experimental and theoretical results is made for AI(210). The effect of uncertainties in the input parameters on the magnitudes and ordering of surface relaxations for this semiempirical method is estimated. A
Bozzolo, Guillermo +2 more
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Structural biology of ferritin nanocages
FEBS Letters, EarlyView.Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley +1 more source
Nature CommunicationsFlexible organic photovoltaics and energy storage systems have profound implications for future wearable electronics. Here, the authors discuss the transformative potential and challenges associated with the integrative design of these systems for energy
Muhammad Jahandar +2 more
doaj +1 more source
Tracing the minimum-energy path on the free-energy surface
, 2005 The free energy profile of a reaction can be estimated in a molecular-dynamics approach by imposing a mechanical constraint along a reaction coordinate (RC).
Fleurat-Lessard, P., Ziegler, T.
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FEBS Letters, EarlyView.In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai +9 more
wiley +1 more source
Advanced Science, 2021 New structural type of 2D AA′n−1MnX3n+1 type halide perovskites stabilized by symmetric diammonium cations has attracted research attention recently due to the short interlayer distance and better charge‐transport for high‐performance solar cells (PSCs).
Yalan Zhang +12 more
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