Results 51 to 60 of about 898,625 (353)

A QM/MM approach for the study of monolayer-protected gold clusters

, 2012
We report the development and implementation of hybrid methods that combine quantum mechanics (QM) with molecular mechanics (MM) to theoretically characterize thiolated gold clusters.
A Corma, A Venzo, A Warshel, AC Templeton, AK Rappé, ASK Hashmi, CJ Zhong, CM Aikens, DT Miles, F Weigend, G Henkelman, H Qian, I Garzón, J Akola, JF Parker, John A. Montgomery, José A. Gascón, JR Cheeseman, JTv Wijngaarden, L Fabris, M Dasog, M Haruta, MS Devadas, MW Heaven, MZ Zhu, NV Perera, O Lopez-Acevedo, PD Jadzinsky, RFW Bader, S Dapprich, Sandipan Banerjee, T Vreven, WD Cornell   +32 more
core   +1 more source

Insights into pegRNA design from editing of the cardiomyopathy‐associated phospholamban R14del mutation

FEBS Letters, EarlyView.
This study reveals how prime editing guide RNA (pegRNA) secondary structure and reverse transcriptase template length affect prime editing efficiency in correcting the phospholamban R14del cardiomyopathy‐associated mutation. Insights support the design of structurally optimized enhanced pegRNAs for precise gene therapy.
Bing Yao, Qiangbing Yang, Christian J.B. Snijders Blok, Mark A. Daniels, Pieter A. Doevendans, Raymond Schiffelers, Joost P.G. Sluijter, Zhiyong Lei   +7 more
wiley   +1 more source

Adaptive plasticity of auxetic Kirigami hydrogel fabricated from anisotropic swelling of cellulose nanofiber film

Science and Technology of Advanced Materials
Hydrogels are flexible materials that typically accommodate elongation with positive Poisson’s ratios. Auxetic property, i.e., the negative Poisson’s ratio, of elastic materials can be macroscopically implemented by the structural design of the continuum.
Daisuke Nakagawa, Itsuo Hanasaki
doaj   +1 more source

Solving nonlinear third-order three-point boundary value problems by boundary shape functions methods

Advances in Difference Equations, 2021
For nonlinear third-order three-point boundary value problems (BVPs), we develop two algorithms to find solutions, which automatically satisfy the specified three-point boundary conditions.
Ji Lin, Yuhui Zhang, Chein-Shan Liu
doaj   +1 more source

The epithelial barrier theory proposes a comprehensive explanation for the origins of allergic and other chronic noncommunicable diseases

FEBS Letters, EarlyView.
Exposure to common noxious agents (1), including allergens, pollutants, and micro‐nanoplastics, can cause epithelial barrier damage (2) in our body's protective linings. This may trigger an immune response to our microbiome (3). The epithelial barrier theory explains how this process can lead to chronic noncommunicable diseases (4) affecting organs ...
Can Zeyneloglu, Huseyn Babayev, Ismail Ogulur, Sena Ardicli, Yagiz Pat, Duygu Yazici, Bingjie Zhao, Lihong Chang, Xiaoqing Liu, Paolo D'Avino, Manru Li, Ceren Biçer, Fatma Hacer Kurtoğlu Babayev, Raja Dhir, Kari C. Nadeau, Marie‐Charlotte Brüggen, Mubeccel Akdis, Cezmi A. Akdis   +17 more
wiley   +1 more source

General Multi-Fidelity Framework for Training Artificial Neural Networks With Computational Models

Frontiers in Materials, 2019
Training of artificial neural networks (ANNs) relies on the availability of training data. If ANNs have to be trained to predict or control the behavior of complex physical systems, often not enough real-word training data are available, for example ...
Roland Can Aydin, Fabian Albert Braeu, Christian Johannes Cyron, Christian Johannes Cyron   +3 more
doaj   +1 more source

Materials fatigue prediction using graph neural networks on microstructure representations

Scientific Reports, 2023
The local prediction of fatigue damage within polycrystals in a high-cycle fatigue setting is a long-lasting and challenging task. It requires identifying grains tending to accumulate plastic deformation under cyclic loading.
Akhil Thomas, Ali Riza Durmaz, Mehwish Alam, Peter Gumbsch, Harald Sack, Chris Eberl   +5 more
doaj   +1 more source

IMPROVING THE STUDENTS’ LEARNING ACHIEVEMENT ON FLUID MECHANICS COURSE THROUGH THE USE OF INTERACTIVE MEDIA [PDF]

, 2009
This research aims at improving the quality of teaching and learning process in Fluid Mechanics course through the use of teaching media. The teaching of Fluid Mechanics needs communicative and authentic media.
Purwantoro, Didik
core  

Brittle Materials in Mechanical Extremes [PDF]

Materials, 2020
The goal of the Special Issue “Brittle Materials in Mechanical Extremes” was to spark a discussion of the analogies and the differences between different brittle materials, such as, for instance, ceramics and concrete. Indeed, the contributions to the Issue spanned from construction materials (asphalt and concrete) to structural ceramics, reaching as ...
openaire   +2 more sources

From omics to AI—mapping the pathogenic pathways in type 2 diabetes

FEBS Letters, EarlyView.
Integrating multi‐omics data with AI‐based modelling (unsupervised and supervised machine learning) identify optimal patient clusters, informing AI‐driven accurate risk stratification. Digital twins simulate individual trajectories in real time, guiding precision medicine by matching patients to targeted therapies.
Siobhán O'Sullivan, Lu Qi, Pierre Zalloua   +2 more
wiley   +1 more source