Results 81 to 90 of about 26,300 (238)

De Novo Multi‐Mechanism Antimicrobial Peptide Design via Multimodal Deep Learning

Advanced Science, EarlyView.
Current AI‐driven peptide discovery often overlooks complex structural data. This study presents M3‐CAD, a generative pipeline that leverages 3D voxel coloring and a massive database of over 12 000 peptides to capture nuanced physicochemical contexts.
Xiaojuan Li, Haifan Gong, Yue Wang, Yinuo Zhao, Lixiang Li, Peijing Bao, Qingzhou Kong, Jialu Fu, Boyao Wan, Yumeng Zhang, Jinghui Zhang, Jiekun Ni, Zhongxue Han, Xueping Nan, Kunping Ju, Longfei Sun, Yuerui Ma, Huijun Chang, Mengqi Zheng, Yanbo Yu, Xiaoyun Yang, Xiuli Zuo, Haina Wang, Yanqing Li   +23 more
wiley   +1 more source

Thermodynamic Reference Database (THEREDA) – Present Activities [PDF]

Goldschmidt Abstracts, 2020
Moog, H. C., Bok, F., Freyer, D., Gaona, X., Thoenen, T.   +4 more
openaire   +2 more sources

Sulfate‐Directed Silver Dendrites with Enhanced Stability for Ultrasensitive SERS‐Based Therapeutic Drug Monitoring

Advanced Science, EarlyView.
This study presents sulfate‐directed silver dendrites (s‐AgDs) as oxidation‐resistant SERS substrates with long‐term stability, reproducibility, and sub‐picomolar sensitivity. Sulfate ions guide anisotropic growth and protect the surface, enabling improved performance over 7 months under ambient conditions.
Aradhana Dwivedi, Jan Dellith, Anna Makarova, Samir F. El‐Mashtoly, Juergen Popp, Vladimir Sivakov, Dana Cialla‐May   +6 more
wiley   +1 more source

Transforming Grain‐Boundary Brittle Precipitates to Ductility Pathways in Complex Concentrated Alloy

Advanced Science, EarlyView.
By engineering graded BCC/L12 interfaces, brittle precipitates in a complex concentrated alloy enable sequential deformation, realizing gigapascal strength with >20% elongation to solve the strength‐ductility trade‐off. ABSTRACT Conventional wisdom holds that hard grain‐boundary (GB) precipitates embrittle structural alloys by acting as crack ...
Zhixin Li, Xiao‐Tong Li, Zhaoqi Chen, Yushan Geng, Hao Gong, Sijia Hu, Wenli Song, Wanshun Xia, Chuanzheng Li, Linfa Peng, Yue Fan, Pengfei Guan, Bo Zhang, Weihua Wang, Yong Yang   +14 more
wiley   +1 more source

Wafer‐Scale Bandgap‐Tunable MoS2/PbS Phototransistors Enabled by Solution Processing

Advanced Science, EarlyView.
This work advances bandgap‐tunable MoS2/PbS phototransistors by introducing lateral heterojunctions, which enable superior tunable bandgap (1.24–0.61 eV) via Type‐II alignment. Plasma‐enhanced solution processing ensures uniform 4‐inch wafer‐scale fabrication with 97% yield.
Ziheng Tang, Chengqian Cui, Xiaoli Jing, Rui You, Mingjun Zhang, Jing Xu   +5 more
wiley   +1 more source

A Bottom‐Up Design Framework for Multifunctional Lattice Metamaterials

Advanced Science, EarlyView.
This study introduces a generative AI framework for designing multifunctional lattice metamaterials. The method combines 3D Gaussian voxel generation with deep learning, enabling greater design freedom and structural performance. The optimized lattice metamaterials achieve enhanced energy absorption by 40–200% compared to conventional structures and ...
Zongxin Hu, Quanqing Tao, Junhao Ding, Shuo Qu, Haitao Ye, Jun Wei Chua, Tianxiao Niu, Rui Li, Winston Wai Shing Ma, Haoming Mo, Hui Liu, Wei Zhai, Xinwei Li, Xu Song   +13 more
wiley   +1 more source

THERMODYNAMIC MODELING OF THE BALANCED PHASE CONTENTS OF THE CAST BORON-CONTAINING ALLOY

Литьë и металлургия, 2005
The program ASTRA-4 with thermodynamic database is used in this work fo r thermodynamic modeling of cast alloy, received due to volume alloying by boron.
N. F. Nevar, Ju. N. Fasevich
doaj  

Integrated experimental and thermodynamic modeling study of slag-matte-metal equilibrium in the Pb–Fe–O–S–Si-(Al, Ca, Zn) systems at 1100–1200 °C

Journal of Materials Research and Technology
Integrated experimental and thermodynamic modeling study was undertaken to characterize the effect of Al, Ca and Zn on the partitioning of elements between the slag, matte and metal phases in the Pb–Fe–O–S–Si-(Al), (-Ca), and (-Zn) systems in equilibrium
A. Fallah-Mehrjardi, T. Hidayat, H. Abdeyazdan, D. Shishin, M. Shevchenko, P.C. Hayes, E. Jak   +6 more
doaj   +1 more source

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys

Advanced Science, EarlyView.
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin, Cheng‐Wei Lee, Nate S.P. Bernstein, Thi Nguyen, Ande Bryan, Eli Cooper, John S. Mangum, Sage R. Bauers, Andriy Zakutayev, Keisuke Yazawa, Prashun Gorai, Rebecca W. Smaha   +11 more
wiley   +1 more source

Phase Equilibrium Studies of Nonferrous Smelting Slags: A Review

Metals
Pyrometallurgy is the primary technique for the production of many nonferrous metals such as copper, lead, and zinc. The phase equilibrium information of smelting slags plays an important role in the efficient extraction of metals and energy consumption.
Sui Xie, Baojun Zhao
doaj   +1 more source