Results 131 to 140 of about 717,764 (281)

Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling

Advanced Science, EarlyView.
A generalizable computational framework is presented that overcomes long‐standing challenges in modelling cyclodextrin host‐guest binding by integrating host‐specific force‐field refinement, equilibrium enhanced sampling, nonequilibrium alchemical switching, convolution sampling of independent works, rigorous finite‐size corrections, and QM‐based ...
Xiaohui Wang, Linqiong Qiu, Hongyu Wang, Wenting Tang, Jiayang Leng, John Z. H. Zhang, Piero Procacci, Zhaoxi Sun   +7 more
wiley   +1 more source

Existence and regularity of a global attractor for doubly nonlinear parabolic equations

Electronic Journal of Differential Equations, 2002
In this paper we consider a doubly nonlinear parabolic partial differential equation $$ frac{partial eta (u)}{partial t}-Delta _{p}u+f(x,t,u)=0 quad hbox{in }Omega imesmathbb{R}^{+}, $$ with Dirichlet boundary condition and initial data given.
Abderrahmane El Hachimi, Hamid El Ouardi
doaj  

A Priori Generalizability Estimate for a CNN

We formulate truncated singular value decompositions of entire convolutional neural networks. We demonstrate the computed left and right singular vectors are useful in identifying which images the convolutional neural network is likely to perform poorly on.
Balsells, Cito, Riviere, Beatrice, Fuentes, David   +2 more
openaire   +2 more sources

MicrobeDiscover: A Knowledge Graph–Enabled AI Framework for Identifying Microbes for Inorganic Nanomaterial Biosynthesis

Advanced Science, EarlyView.
Microbial synthesis of nanomaterials (NMs) is eco‐friendly, but the screening of microorganisms is limited by inefficient traditional methods (currently only involving∽400 microorganisms/90 NMs). We propose AI framework MicrobeDiscover, integrating a knowledge graph of microbe‐NM interactions.
Ludi Wang, Hexing Han, Yufeng Liu, Zhiyuan Ning, Yujie Ma, Haidan Wang, Jinling Xu, Qiansheng Huang, Wenjuan Cui, Yuanchun Zhou, Yang Gao, Bin Wang, Yi Du   +12 more
wiley   +1 more source

Difference methods for solving some classes of multidimensional loaded parabolic equations with boundary conditions of the first kind

Известия высших учебных заведений. Поволжский регион: Физико-математические науки
Background. In the literature, loaded differential equations are usually called equations containing functions of the solution on manifolds of smaller dimension than the dimension of the domain of definition of the sought function.
Zaryana V. Beshtokova, Valentina A. Vodakhova, Marat Z. Khudalov   +2 more
doaj   +1 more source

Beyond Traditional RAFT Polymerization: Emerging Strategies and Future Perspectives; A Third Update

Advanced Science, EarlyView.
This review explores recent advances in the past five years for non‐traditional RAFT polymerization, focusing on new activation strategies, sustainable depolymerization, and integration with automated and AI‐driven synthesis. Together, these innovations advance polymer chemistry and reveal how the pieces of the non‐traditional RAFT puzzle are steadily ...
Vianna F. Jafari, James L. Grace, Jiajia Li, Joji Tanaka, Glen R. Jones, Athina Anastasaki, Wei You, Jian Zhu, Masami Kamigaito, Cyrille Boyer, Greg G. Qiao   +10 more
wiley   +1 more source

Dorsal Raphe VIP Neurons Are Critical for Survival‐Oriented Vigilance

Advanced Science, EarlyView.
DRNVIP neurons in mice and primates are strategically positioned to influence the central extended amygdala via feedback loops. They regulate the excitability of PKC‐δ neurons in the ovBNST and CeA through glutamate release. Their ablation heightens activity in these regions, disrupts active‐phase sleep architecture, enhances risk assessment behaviors ...
Adriane Guillaumin, Emma Perrot, Thibault Dhellemmes, Laura Boi, Daniel De Castro Medeiros, Christelle Glangetas, Sylvie Dumas, Sandra Dovero, Nathalie Biendon, Elodie Ladeveze, Maëlle Hardel, Marc Landry, Erwan Bezard, Jérôme Baufreton, Gilberto Fisone, François Georges   +15 more
wiley   +1 more source

2023–2027 CAP First Pillar Reform and Livestock Sector: Production and Economic Impacts on Italian Specialized Dairy Cattle Farms

Applied Economic Perspectives and Policy, EarlyView.
ABSTRACT The present study uses an agroeconomic supply model to assess the impacts of 2023–2027 CAP on Italian specialized dairy cattle farms. The model considers the voluntary choice of Eco‐Scheme 1, specifically addressed to livestock farms, through the implementation of binary variables.
Davide Dell'Unto, Raffaele Cortignani
wiley   +1 more source

Changes in Alcohol Retail Laws and Foot Traffic at Liquor Stores

Applied Economic Perspectives and Policy, EarlyView.
ABSTRACT We study how expanding alcohol availability at grocery and convenience stores affects consumer traffic in liquor stores by leveraging recent changes in state‐level alcohol distribution laws in a difference‐in‐difference quasi‐experimental design.
Nathan Palardy, Marco Costanigro, Joshua Berning, Jude Bayham   +3 more
wiley   +1 more source

Recursive Batch Smoother with Multiple Linearization for One Class of Nonlinear Estimation Problems: Application for Multisensor Navigation Data Fusion. [PDF]

Sensors (Basel)
Stepanov O, Isaev A, Dranitsyna E, Litvinenko Y.   +3 more
europepmc   +1 more source