Results 61 to 70 of about 419,601 (272)

Concentration optimization of combinatorial drugs using Markov chain-based models

BMC Bioinformatics, 2021
Background Combinatorial drug therapy for complex diseases, such as HSV infection and cancers, has a more significant efficacy than single-drug treatment.
Shuang Ma, Dan Dang, Wenxue Wang, Yuechao Wang, Lianqing Liu   +4 more
doaj   +1 more source

Big Data and AI‐Powered Modeling: A Pathway to Sustainable Precision Animal Nutrition

Advanced Science, EarlyView.
This review summarizes the current landscape of big data and AI‐powered modeling in animal nutrition, covering techniques including intelligent data acquisition, data augmentation, explainable machine learning, heuristic algorithms, and life cycle assessment‐based sustainability evaluation.
Shuai Zhang, Changhua Lai, Jinbiao Zhao, Junjun Wang   +3 more
wiley   +1 more source

Real‐Time Visualisation of Reaction Kinetics and Dynamics: Single‐Molecule Insights into the Iminium‐Catalysed Diels–Alder Reaction

Angewandte Chemie, EarlyView.
Optical microscopy is commonly used to observe simple turn‐on/off phenomena in chemical reactions. A method is presented for the real‐time monitoring of diverse reaction pathways at the single‐molecule level using optical microscopy. This technique enables detailed kinetic and dynamic studies to be performed, providing new insights into catalyst design
Minsoo Park, Yongdeok Ahn, Juhyeong Cho, Juhee Jang, Wonhee J. Lee, Sangwon Seo, Sunggi Lee, Daeha Seo   +7 more
wiley   +2 more sources

STEMDiff: A Wavelet‐Enhanced Diffusion Model for Physics‐Informed STEM Image Generation

Advanced Science, EarlyView.
STEMDiff, which is a conditional diffusion model that generates realistic STEM images from crystal structure‐derived binary labels, is proposed, overcoming high‐frequency bias via a Discrete Wavelet Transform‐based architecture. It produces experimentally indistinguishable images, enabling annotation‐free training of networks for precise atomic ...
Yihui Bao, Xinyi Lu, Yanyan Xia, Zhencheng Ye, Houyang Chen   +4 more
wiley   +1 more source

Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine

Angewandte Chemie, EarlyView.
Specific high affinity recognition of colchicine by an engineered anticalin involves loop dynamics and conformational selection Abstract The engineered lipocalin Colchicalin binds the clinically relevant plant toxin colchicine with picomolar affinity.
Mark J. Bostock, Christopher Kolloff, Elena Jerschke, Sam Asami, Arne Skerra, Simon Olsson, Michael Sattler   +6 more
wiley   +2 more sources

Comprehensive Measurement of Inter‐Individual Variation in DNA Repair Capacity in Healthy Individuals

Advanced Science, EarlyView.
Susceptibility to the health effects of DNA damage depends on a person's ability to repair DNA damage, but DNA repair has been difficult to measure in populations. A functional assay called FM‐HCR is used to measure DNA repair in 6 major pathways across 56 individuals.
Ting Zhai, Patrizia Mazzucato, Catherine Ricciardi, David C. Christiani, Liming Liang, Leona D. Samson, Isaac A. Chaim, Zachary D. Nagel   +7 more
wiley   +1 more source

Lipocalin‐2 activates hepatic stellate cells and promotes nonalcoholic steatohepatitis in high‐fat diet–fed Ob/Ob mice

Hepatology, EarlyView., 2022
Graphical summary of obesity‐induced NASH progression by LCN2 targeted to HSC activation. Abstract Background and Aims In obesity and type 2 diabetes mellitus, leptin promotes insulin resistance and contributes to the progression of NASH via activation of hepatic stellate cells (HSCs).
Kyung Eun Kim, Jaewoong Lee, Hyun Joo Shin, Eun Ae Jeong, Hye Min Jang, Yu Jeong Ahn, Hyeong Seok An, Jong Youl Lee, Meong Cheol Shin, Soo Kyoung Kim, Won Gi Yoo, Won Ho Kim, Gu Seob Roh   +12 more
wiley   +1 more source

Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency

Advanced Energy Materials, EarlyView.
This perspective highlights how machine learning accelerates sustainable energy materials discovery by integrating quantum‐accurate interatomic potentials with property prediction frameworks. The evolution from statistical methods to physics‐informed neural networks is examined, showcasing applications across batteries, catalysts, and photovoltaics ...
Kwang S. Kim
wiley   +1 more source

Inverse Design of Alloys via Generative Algorithms: Optimization and Diffusion within Learned Latent Space

Advanced Intelligent Discovery, EarlyView.
This work presents a novel generative artificial intelligence (AI) framework for inverse alloy design through operations (optimization and diffusion) within learned compact latent space from variational autoencoder (VAE). The proposed work addresses challenges of limited data, nonuniqueness solutions, and high‐dimensional spaces.
Mohammad Abu‐Mualla, Ellis Crabtree, Fredrick Michael, Yayue Pan, Jida Huang   +4 more
wiley   +1 more source

RefineCatDiff: Toward High‐Quality Medical Image Segmentation via a Categorical Diffusion Refinement Framework

Advanced Intelligent Systems, EarlyView.
This study proposes RefineCatDiff, a refinement framework for high‐quality medical image segmentation. By developing a categorical distribution‐based discrete diffusion process for refinement, the framework aligns well with the characteristics of image segmentation tasks. Experimental results on multiple datasets across different modalities demonstrate
Feng Liu, Hongjian Yu, Jiaan Huang, Xin Hua, Hengjia Liu, Zhimian Ma, Zhen Wang, Zhijiang Du, Lining Sun   +8 more
wiley   +1 more source