Results 111 to 120 of about 16,032 (285)

Ferritin Iron Mineralisation: Route of Fe3+ Transfer From the Ferroxidase Centre to the Inner Cavity of Human H‐Chain Ferritin

Angewandte Chemie, EarlyView.
Proposed mechanism for Fe3+ transport from the FoC (sites 1 and 2) of human H‐chain ferritin following oxidation of the di‐Fe2+ form. Glu61, aided by the flexibility of its sidechain, plays a key role in coordinating Fe3+ at three sites (3, 4 and 5) that mark out the transit route.
Zinnia Bugg, Justin M. Bradley, Andrew M. Hemmings, Nick E. Le Brun   +3 more
wiley   +2 more sources

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

On the Ability of Bismuth to Couple Weakly Coordinating Anions

Angewandte Chemie, EarlyView.
Motivated by the growing number of catalytic processes based on high‐valent Bi, we investigated in silico the reductive elimination step responsible for the coupling of weakly coordinating anions. Relativistic contributions appeared to be decisive to the electronic description of the intermediates involved in this process.
Lucas Mele, Reena Balhara, Dimitrios A. Pantazis, Josep Cornella   +3 more
wiley   +2 more sources

Analysis of a k/n(G) Retrial System with Multiple Working Vacations

Axioms
In this paper, a k/n(G) retrial system with multiple working vacations is considered, and a mathematical model of the system is established by supplementary variable method, and a dynamic analysis of the system is carried out.
Changjiang Lai, Rena Eskar, Ehmet Kasim
doaj   +1 more source

Lost in aggregation? On the importance of local food price data for food poverty estimates

American Journal of Agricultural Economics, EarlyView.
Abstract This paper explores within‐country variations in food price dynamics and food poverty estimates by employing local market price data and national consumer price index (CPI) data. Our results show that national CPI data may be useful for approximating national trends but they fail to detect and identify spatial variations in local trends, which
Stephan Dietrich, Valerio Giuffrida, Bruno Martorano, Georg Schmerzeck, Marco Tiberti   +4 more
wiley   +1 more source

Isolation of a Highly Reactive CBNC Heterocumulene via Azidoborylene Photolysis: Facile Access to a Crystalline Dioxaborirane

Angewandte Chemie, EarlyView.
Azidoborylene photolysis results in the isolation of a reactive C═B═N═C heterocumulene bearing an ambiphilic boron centre. Addition of 3O2 to this species results in the clean conversion to a unique example of a dioxaborirane. ABSTRACT Oxidation of the formal boron(0) complex MeCAAC2B in the presence of tetrabutylammonium azide leads to the formation ...
Hayley King, Vignesh Pattathil, William Kennedy, Robert K. Szilagyi, Conor Pranckevicius   +4 more
wiley   +2 more sources

Using photovoice to understand community perceptions of firearm risks and protective factors among Asian Americans

American Journal of Community Psychology, EarlyView.
Abstract This study used photovoice methodology to explore Asian Americans' perspectives on the root causes and protective factors of firearm violence in their communities. Photovoice provided a participatory platform for community members to document lived experiences and identify priorities for change.
Tsu‐Yin Wu, Szu‐Hsien Chen, Xining Yang, Ken Resnicow, Hsing‐Fang Hsieh   +4 more
wiley   +1 more source

Combining work and vacation: workation as an attractive work arrangement

Personnel Review
Purpose The fulfilling blend of work and leisure experienced by digital nomads has inspired some organizations to offer “workation” (work-vacation) as a new fringe benefit, allowing employees to work remotely from international locations while simultaneously engaging in travel and leisure activities.
Stich, Jean-François, Díaz Andrade, Antonio, Kuepers, Wendelin   +2 more
openaire   +2 more sources

B/ordering and healthcare access for migrants with precarious status: The role of healthcare workers in counteracting restrictive policies

American Journal of Community Psychology, EarlyView.
Abstract In Canada, precarious migration is largely invisibilized. Nonetheless, b/ordering greatly affects people's realities by limiting access to social rights. In Quebec, migrants with precarious status (MPS) do not have access to healthcare, although Quebec has a “universal” healthcare coverage.
Émilie Pigeon‐Gagné, Jill Hanley, Élise Bourgeois‐Guérin, Pénélope Boudreault   +3 more
wiley   +1 more source

Heavier Alkyne‐Ni0 Complexes, [R2E2·Ni] (E = Sn, Pb), Exhibiting σ‐Complex Character

Angewandte Chemie, EarlyView.
Using a reductive group elimination strategy, heavier alkyne (LEEL; E = Sn, Pb) complexes of Ni0 are accessed. In contrast to classical alkyne coordination, these systems are best described as σ‐complexes, driven by ligand‐induced constraints and the established poor π‐bonding in heavier alkyne analogues.
Leopold Junge, Emeric Schubert, Israel Fernández, Terrance J. Hadlington   +3 more
wiley   +2 more sources