Results 231 to 240 of about 7,645,086 (295)

Evaluation of knowledge graph embedding approaches for drug-drug interaction prediction in realistic settings. [PDF]

BMC Bioinformatics, 2019
Celebi R, Uyar H, Yasar E, Gumus O, Dikenelli O, Dumontier M.   +5 more
europepmc   +1 more source

Single‐Atom‐Enhanced Fully Inkjet‐Printed Electrochemical Sensor for Dopamine Detection

Advanced Science, EarlyView.
Fully inkjet‐printed paper‐based dopamine sensors are fabricated using nitrogen‐doped graphene acid functionalized with copper single atoms. The copper sites uniquely enhance dopamine oxidation through strong molecular adsorption, as verified by electrochemical measurements and DFT calculations. The approach highlights the potential of single‐atom inks
Martin‐Alex Nalepa, David Panáček, Vítězslav Hrubý, Matěj Jendrišák, Rostislav Langer, Michal Langer, Petr Jakubec, Ivan Dědek, Vojtěch Kupka, Michal Mazur, Radek Zbořil, Michal Otyepka   +11 more
wiley   +1 more source

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

Advanced Science, EarlyView.
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su, Xitao Wang, Musen Li, Guanhua Qin, Shunbo Hu, Tong‐Yi Zhang   +5 more
wiley   +1 more source

Deciphering Anti‐Cancer Drug Efficacy Through Nanomechanical Vibrations in Living Gastric Cancer Organoids

Advanced Science, EarlyView.
This study developed an efficacy assessment platform that integrates patient‐derived gastric cancer organoids, atomic force microscopy (AFM)‐based nanomechanical vibration detection, deep learning analysis, and organoid mechanical modeling. It detects picomolar drug effects within 0.1 s signal, achieves 97% classification accuracy, and offers non ...
Ting Zhang, Qiubo Chen, Shihai Lan, Liang Zhu, Shuaiyu Liu, Yan Xia, Yalu Zhang, Hanhui Yao, Yongman Liu, Shangquan Wu, Qingchuan Zhang   +10 more
wiley   +1 more source

Systematic Multi‐Level Analyses Decode the Arthritis‐Neurodegeneration Axis With In Vivo Validation

Advanced Science, EarlyView.
Arthritis and neurodegeneration are usually studied as separate disorders, but this study connects them through population evidence, genetic inference, transcriptomic mapping, and mouse models. It highlights RNF40 as a context‐dependent joint‐brain candidate, induced in inflammatory joints yet functionally linked to dopamine‐neuron vulnerability ...
Jinwen Wang, Wenhui Xie, Lei Yang, Zhengrong Wang, Yi Huang, Peng Huang, Yuan Liu, Jun Hu   +7 more
wiley   +1 more source

Artificial Intelligence‐Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae

Advanced Science, EarlyView.
Integrated artificial intelligence (AI) ensembles identify highly potent repurposed drugs against Streptococcus pneumoniae. Prospective virtual screening of 6747 drugs uncovers nine active candidates, including thiostrepton. This drug exhibits low picomolar potency and bypasses established resistance in multidrug‐resistant strains, demonstrating an ...
Joshua S. Fitch, Muhammad D. Ariadi, Min Jung Kwun, Leonie Howells, Saiveth Hernandez‐Hernandez, Nicholas J. Croucher, Pedro J. Ballester   +6 more
wiley   +1 more source

SemanticST: A Scalable Multi‐Contextual Graph Learning Framework for Uncovering Spatial Niches and Robust Multi‐Sample Integration in Spatial Transcriptomics

Advanced Science, EarlyView.
Technical limitations often let dominant signals overshadow rare cell types and fine‐grained heterogeneity in spatial transcriptomics. SemanticST, a graph neural network using multi‐semantic graph fusion and a novel min‐cut loss, recovers these subtle patterns.
Roxana Zahedi, Ahmadreza Argha, Nona Farbehi, Ivan Bakhshayeshi, Thantrira Porntaveetus, Youqiong Ye, Nigel H. Lovell, Hamid Alinejad‐Rokny   +7 more
wiley   +1 more source

Repurposing a Small Molecule Plant Hormone as a Tunable ON‐Switch for CAR‐T Cell Immunotherapy

Advanced Science, EarlyView.
By engineering a receptor system integrating the plant auxin receptor AFB1 with its co‐receptor IAA7, we enable ligand‐dependent interactions triggered by the plant hormone auxins. This design allows rapid, reversible, and dose‐dependent T cell activation, resulting in potent cytotoxicity against B‐cell lymphoma in vitro and in vivo.
Hongxiang Zeng, Lei Zheng, Rongkun Tao, Sirui Zheng, Yanke Zhong, Yongxia Niu, Peng Zhang, Xiang Ma, Chen Yang, Min Zhang, Fuyu Duan, Jing Yang, Xuan Wei, Xiang Zhou, Zhenbiao Yang, Zhaoxi Sun, Qizhou Lian   +16 more
wiley   +1 more source

Senkyunolide I Inhibits mtDNA‐cGAS‐STING Signaling in Macrophages via Targeting VDAC1 Oligomerization to Attenuate Ulcerative Colitis

Advanced Science, EarlyView.
In macrophages, senkyunolide I (SEI) directly targets the K12 residue of VDAC1 to inhibit its stress‐induced oligomerization, a critical upstream event that effectively prevents mitochondrial DNA release and subsequent cGAS‐STING pathway activation.
Zhiming Ye, Yihang Huang, Bohao Han, Lei Zhang, Can Yu, Yang Yang, Bing Liu, Yongping Jian, Zhixiang Xu, Cheng Zeng   +9 more
wiley   +1 more source

Biochemically Constrained Multi‐Omics Integration Reveals Protein–Metabolite Dependencies Across Diseases

Advanced Science, EarlyView.
ProMetNet introduces a biologically constrained deep learning framework for proteo‐metabolomic integration by embedding Reactome‐derived pathway topology into neural networks. It captures non‐linear molecular dependencies and pathway‐level metabolic reorganization, enabling interpretable discrimination.
Minghui Zhao, Na Zhou, Ruotong Liu, Xiaofei Li, Jian Li, Fuzhong Xue, Qingzhen Hou   +6 more
wiley   +1 more source