Results 131 to 140 of about 687,765 (306)

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

Chemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer, Julen Munarriz, Thijs Stuyver, Ruben Laplaza   +3 more
wiley   +1 more source

Green and sustainable synthesis of magnetite from copper slag via citrate complexation for methylene blue dye removal from water

The Canadian Journal of Chemical Engineering, EarlyView.
Abstract This study proposes a novel, green, and sustainable method for synthesizing magnetic iron oxides from metallurgical copper slag (CS), leveraging its iron content as a valuable resource. Iron was extracted via acid leaching using edible citric acid (ECA), forming a citrate–iron complex (CSL), which was subsequently thermally decomposed at 300°C
Melisa Portilla‐Sangabriel, Karen Valencia García, Tania‐Ariadna García‐Mejía, Agileo Hernández‐Gordillo, Rosa‐María Ramírez‐Zamora   +4 more
wiley   +1 more source

Machine learning in infectious diseases: potential applications and limitations

Annals of Medicine
Infectious diseases are a major threat for human and animal health worldwide. Artificial Intelligence (AI) combined algorithms including Machine Learning and Big Data analytics have emerged as a potential solution to analyse diverse datasets and face ...
Ahmad Z. Al Meslamani, Isidro Sobrino, José de la Fuente   +2 more
doaj   +1 more source

Reweighting Scheme for the Calculation of Grand‐Canonical Expectation Values in Quantum Monte Carlo Simulations With a Fermion Sign Problem

Contributions to Plasma Physics, EarlyView.
ABSTRACT Ab initio path integral Monte Carlo (PIMC) simulations constitute the gold standard for the estimation of a broad range of equilibrium properties of a host of interacting quantum many‐body systems spanning a broad range of conditions from ultracold atoms to warm dense quantum plasmas.
Paul Hamann, Jan Vorberger, Tobias Dornheim   +2 more
wiley   +1 more source

La modificación del PGC Pymes y PGC [PDF]

, 2016
La adopción por parte del España de la DIRECTIVA 2013/34/UE DEL PARLAMENTO EUROPEO Y DEL CONSEJO de 26 de junio de 2013 sobre los estados financieros anuales, los estados financieros consolidados y otros informes afines de ciertos tipos de empresas, por ...
Labatut Serer, Gregorio
core   +1 more source

Daily Body (Dis‐)Satisfaction and Dietary Restriction in Women Across the Eating Disorder Spectrum

International Journal of Eating Disorders, EarlyView.
ABSTRACT Objective Body dissatisfaction is a key risk factor in eating disorder development: It is theorized to promote dietary restriction, thereby contributing to symptom onset. Evidence for this pathway primarily comes from cross‐sectional or multi‐wave questionnaire studies in bulimia nervosa (BN) and anorexia nervosa (AN).
Michaela R. Buehler, Ann‐Kathrin Arend, Julia Reichenberger, Jens Blechert   +3 more
wiley   +1 more source

Letting People in: Redefining Collaboration in Wildland–Urban Interface Governance

Environmental Policy and Governance, EarlyView.
ABSTRACT Intensifying wildfire regimes and expanding human settlements into wilderness areas have heightened concerns about the wildland–urban interface (WUI) due to the associated increase in fire risk. However, the WUI presents broader social‐ecological challenges that go beyond wildfire risk and remain understudied.
Clara Mosso, Harrison Fried, Karissa Courtney, Jonathan Salerno, Stephanie Kampf, Andrea Baudoin Farah   +5 more
wiley   +1 more source

Mutation type‐specific transcriptomic signatures and readthrough therapy rescue in SMC1A‐related developmental and epileptic encephalopathy

Epilepsia, EarlyView.
Abstract Objective This study was undertaken to investigate the molecular consequences of pathogenic variants in the SMC1A gene—particularly those associated with developmental and epileptic encephalopathy (DEE85)—and to evaluate the therapeutic potential of ataluren in restoring SMC1A function and mitigating disease‐related transcriptomic and genomic ...
Maddalena Di Nardo, Francesca Sardina, Maria M. Pallotta, Iñigo Marcos‐Alcalde, Paulino Gómez‐Puertas, Cinzia Rinaldo, Ian D. Krantz, Antonio Musio   +7 more
wiley   +1 more source

Long term predictions on the population dynamics of two contrasting demersal fishing resources in the western Mediterranean

Frontiers in Marine Science
In the context of global change, studying the synergic effects of climate and marine resources is key to understanding and predicting their impact on exploited stocks and improving adaptive fisheries management.
Cristina González-Andrés, Beatriz Guijarro, Eduardo Ramírez-Romero, Eduardo Ramírez-Romero, Enric Massutí   +4 more
doaj   +1 more source

Flavour Ester Synthesis by Immobilized Lipases: A Research Overview With Industrial Relevance

Flavour and Fragrance Journal, EarlyView.
Research landscape of flavour ester synthesis by immobilized lipases, highlighting enzymatic routes, major research themes and aspects related to industrial relevance, including enzyme reuse, solvent‐free systems, process intensification and scale‐up potential.
Nicole Marasca, Francisco Lucas Chaves Almeida, Rebeca Luana Carneiro, Marcus Bruno Soares Forte   +3 more
wiley   +1 more source