Results 21 to 30 of about 1,122 (172)

Deep Contrastive Learning for High‐Throughput Prediction of Drug Resistance Mutations from Sequences

Advanced Science, EarlyView.
This study presents DeepMutDTA, a deep learning framework aimed at predicting mutation‐induced changes in protein‐drug interactions and prioritizing variants potentially linked to drug resistance. Trained on large‐scale data, it incorporates SimSiam‐MuTF, a label‐aware contrastive fine‐tuning strategy that encourages separation between WT and MT ...
Xiaowen Hu, Pan Zhang, Shangqian Wu, Hao Sun, Minwei Li, Sophia Tsoka, Zizhang Sheng, Lei Deng   +7 more
wiley   +1 more source

Helix Alignment, Chevrons, and Edge Dislocations in Twist‐Bend Ferroelectric Nematics

Advanced Science, EarlyView.
The recently discovered twist‐bend ferroelectric nematic (NTBF) is the new member of the multiferroic family, representing a fluid with an oblique helicoidal (heliconical) periodic structure of spontaneous electric polarization. The work presents a thorough exploration of the material properties of this phase, how the periodic modulation of ...
Bijaya Basnet, Priyanka Kumari, Sathyanarayana Paladugu, Damian Pociecha, Jakub Karcz, Przemysław Kula, Nataša Vaupotič, Ewa Górecka, Oleg D Lavrentovich   +8 more
wiley   +1 more source

Perspective: Hollow Core Optical Fibres for Ultraviolet and Visible Wavelengths

Advanced Science, EarlyView.
Hollow core optical fibres bypass material constraints that limit optical fibres at ultraviolet and visible wavelengths. However, their challenging fabrication has limited their development, and significant gains in performance remain possible. In this perspective we outline approaches to enable the next generation of fibres for shorter wavelengths ...
Robbie Mears, Kerrianne Harrington, Jonathan C. Knight, William J. Wadsworth, James M. Stone, Tim A. Birks   +5 more
wiley   +1 more source

Synchronization‐Dissipation in the Cardiorespiratory System

Advanced Science, EarlyView.
By modeling central nervous coupling and viscoelastic interactions in the cardiorespiratory system we show that synchronization produces a 10% gain in cardiac efficiency in humans. It is surmised that respiratory sinus arrhythmia improves cardiac pumping efficiency by reducing dynamic stress and power dissipation in the pulmonary vasculature.
Joshua R. Border, Alain Nogaret, Andrew Lefevre, Vishal Jain   +3 more
wiley   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

Advanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

Advanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra   +4 more
wiley   +1 more source

SPADE: A Deep Learning Framework for Spatial Mapping and Quantitative Cell–Cell Interaction Inference

Advanced Science, EarlyView.
SPADE integrates spatial transcriptomics with single‐cell RNA sequencing by using cell–cell communications (CCC) as a guide for spatial mapping. It improves cell‐type localization, enhances sparse gene‐expression signals, and reveals CCC programs at single‐spot resolution.
Xinyi Li, Ning Zhang, Zijie Jin
wiley   +1 more source

Correcting Apparent Priming Bias Unveils Fertilizer Nitrogen‐Risk Archetypes of Surplus and Depletion Across Asian Rice Systems

Advanced Science, EarlyView.
Correcting the apparent priming effect resolves systematic biases in Asian rice fertilizer nitrogen accounting. Net soil retention drops below 7%, while 48% of fertilizer escapes, inflicting US$98.53 billion in annual reactive‐nitrogen damages. High‐resolution mapping uncovers N‐risk archetypes across 42% of the rice area, delivering a spatially ...
Xiuyun Liu, Siyuan Cai, Longlong Xia, Jagdish K. Ladha, Xiaoyuan Yan, Xu Zhao   +5 more
wiley   +1 more source

Hexagonal Boron Nitride on Liquid and Single‐Crystal Copper: Operando X‐Ray and Atomistic Insights into Growth and Interfacial Structure

Advanced Science, EarlyView.
Liquid metal catalysts are widely assumed to promote high‐quality 2D growth. In this work, operando experiments and machine‐learning‐accelerated simulations show that hBN on Cu breaks this graphene‐derived expectation, where molten Cu promotes multilayer/3D growth, but re‐solidified single‐crystal Cu stabilizes monolayer formation.
Nikoo Ghanadan, Valentina Rein, Hao Gao, Egor Bersenev, Thomas Sarrazin, Manmeet Kaur Sodhi, Bárbara Canto, Irina Snigireva, Nicolas Gauthier, Anastasios C. Manikas, Costas Galiotis, Maciej Jankowski, Gilles Renaud, Athanasios Dimoulas, Karsten Reuter, Oleg Konovalov, Hendrik H. Heenen, Irene M.N. Groot   +17 more
wiley   +1 more source