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    1145 research outputs found

    3D Steerable CNNs: Learning Rotationally Equivariant Features in Volumetric Data

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    We present a convolutional network that is equivariant to rigid body motions. The model uses scalar-, vector-, and tensor fields over 3D Euclidean space to represent data, and equivariant convolutions to map between such representations. These SE(3)-equivariant convolutions utilize kernels which are parameterized as a linear combination of a complete steerable kernel basis, which is derived analytically in this paper. We prove that equivariant convolutions are the most general equivariant linear maps between fields over R-3. Our experimental results confirm the effectiveness of 3D Steerable CNNs for the problem of amino acid propensity prediction and protein structure classification, both of which have inherent SE(3) symmetry.PCS

    Synergistic Electron-Deficient Surface Engineering: A Key Factor in Dictating Electron Carrier Extraction for Perovskite Photovoltaics

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    Work function modulation of transparent conductive oxides via self-assembled monolayers (SAMs) facilitates efficient hole or electron extraction in optoelectronic devices. However, recent SAMs for perovskite solar cells (PSCs) diverge from traditional interfacial dipole orientation design principles, instead leveraging electron-rich and electron-deficient surface modifications. In light of these discrepancies, this study systematically analyses electron-deficient materials of varying strength, revealing the dominance of surface modifications over interfacial dipole orientation. Specifically, modulating the electron-withdrawing strength by replacing the carboxylic acid group (Bpy-COOH) with a cyanoacrylic acid moiety (Bpy-CAA) in dual-functional bipyridine-based electron-selective molecular layers (ESMLs) enhances adsorption, electron extraction, and passivation in n-i-p PSCs. Consequently, Bpy-CAA devices achieve 23.98% efficiency, surpassing Bpy-COOH-based devices (23.20%), and maintain an impressive 21.63% efficiency in 1 cm2 cells, the highest reported for 1 cm2 n-i-p PSCs utilizing organic ESMLs. A remarkable efficiency of 26.00% is achieved by integrating Bpy-CAA as an interfacial layer into SnO2/ESML/perovskite contacts while adapting this architecture into four-terminal perovskite/silicon tandem solar cells (4T-P/STSCs) yields an impressive efficiency of 30.83%, ranking among the highest reported efficiencies for 4T-P/STSCs. Overall, this work demonstrates that the electronic nature of the molecule is more decisive than dipole orientation for efficient electron extraction, and tailoring the dual-functional ESMLs effectively facilitated the development of efficient single-junction PSCs and 4T-P/STSCs.LP

    Self-assembled ferroelectric-dielectric nanocomposite films for tunable applications

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    Nanocomposite films consisting of BaTiO3 and CeO2 have been grown by a self-assembled approach. The composite structure of those films varied with the volume fractions of BaTiO3 and CeO2. A BaTiO3 in the form of inclined nano-fibers embedded in CeO2 matrix was obtained for CeO2-rich composition, which results in an appreciable tunability with a very low permittivity of 50. The observed tunable properties imply the competitive potential of BaTiO3-CeO2 composite as an alternative tunable material.L

    Distributed primal strategies outperform primal-dual strategies over adaptive networks

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    This work studies distributed primal-dual strategies for adaptation and learning over networks from streaming data. Two first-order methods are considered based on the Arrow-Hurwicz (AH) and augmented Lagrangian (AL) techniques. Several results are revealed in relation to the performance and stability of these strategies when employed over adaptive networks. It is found that these methods have worse steady-state mean-square-error performance than primal methods of the consensus and diffusion type. It is also found that the AH technique can become unstable under a partial observation model, while the other techniques are able to recover the unknown under this scenario. It is further shown that AL techniques are stable over a narrower range of step-sizes than primal strategies.AS

    Computational design of novel protein–protein interactions – An overview on methodological approaches and applications

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    Protein–protein interactions (PPIs) govern numerous cellular functions in terms of signaling, transport, defense and many others. Designing novel PPIs poses a fundamental challenge to our understanding of molecular interactions. The capability to robustly engineer PPIs has immense potential for the development of novel synthetic biology tools and protein-based therapeutics. Over the last decades, many efforts in this area have relied purely on experimental approaches, but more recently, computational protein design has made important contributions. Template-based approaches utilize known PPIs and transplant the critical residues onto heterologous scaffolds. De novo design instead uses computational methods to generate novel binding motifs, allowing for a broader scope of the sites engaged in protein targets. Here, we review successful design cases, giving an overview of the methodological approaches used for templated and de novo PPI design.LPD

    Le Traçage Anonyme, Dangereux Oxymore

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    Nicolas Anciaux, Xavier Bonnetain, Anne Canteaut, Véronique Cortier, Pierrick Gaudry, Lucca Hirschi, Steve Kremer, Stéphanie Lacour, Gaëtan Leurent, Matthieu Lequesne, Léo Perrin, André Schrottenloher, Emmanuel Thomé, Serge Vaudenay, Christophe Vuillot Dans le but affiché de ralentir la progression de l'épidémie COVID-19, la France envisage de mettre en place un système de traçage des contacts des malades à l'aide d'une application mobile. Les concepteurs de ce type d'applications assurent qu'elles sont respectueuses de la vie privée. Cependant cette notion reste vague. Nous souhaitons donc contribuer au débat public en apportant un éclairage sur ce que pourrait et ne pourrait pas garantir une application de traçage, afin que chacun puisse se forger une opinion sur l'opportunité de son déploiement.LASE

    Wnt directs the endosomal flux of LDL-derived cholesterol and lipid droplet homeostasis

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    The Wnt pathway, which controls crucial steps of the development and differentiation programs, has been proposed to influence lipid storage and homeostasis. In this paper, using an unbiased strategy based on high-content genome-wide RNAi screens that monitored lipid distribution and amounts, we find that Wnt3a regulates cellular cholesterol. We show that Wnt3a stimulates the production of lipid droplets and that this stimulation strictly depends on endocytosed, LDL-derived cholesterol and on functional early and late endosomes. We also show that Wnt signaling itself controls cholesterol endocytosis and flux along the endosomal pathway, which in turn modulates cellular lipid homeostasis. These results underscore the importance of endosome functions for LD formation and reveal a previously unknown regulatory mechanism of the cellular programs controlling lipid storage and endosome transport under the control of Wnt signaling.NAMPTC

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