Results 151 to 160 of about 170,778 (310)

S100A14 in Tumor‐Derived EVs Targets PIAS3 to Reprogram Astrocytes and Induce Immunosuppressive Microenvironment Promoting Brain Metastasis and Germacrone Reversal Effect

Advanced Science, EarlyView.
This study identifies S100A14 in tumor‐derived exosomes as a key driver of brain metastasis. S100A14 targets PIAS3 in astrocytes, activating STAT3 signaling and promoting immunosuppressive MDSCs recruitment via chemokine secretion. Germacrone, a natural compound, binds S100A14 to disrupt this axis, effectively inhibiting brain metastasis with low ...
Qian Feng, Xia Yang, Lin An, Xue‐Yu Wang, Ming‐Rui Wang, Zhuo‐Hong Cai, Cai‐Jun Xie, Li‐Jun Qiao, You‐Bi Shen, Xi‐Min Liang, Rong Zhang, Cai‐Yan Wang, Zhong‐Qiu Liu, Rong‐Rong Zhang   +13 more
wiley   +1 more source

High temperature elastic anisotropy of the perovskite and post-perovskite polymorphs of Al2O3

, 2005
Finite temperature ab initio molecular dynamics calculations were performed to determine the high temperature elastic and seismic properties of the perovskite and post-perovskite phases of pure end-member Al2O3.
Price, GD, Brodholt, JP, Stackhouse, S
core  

Development of crystallographic surfaces for modelling interactions [PDF]

, 1997
This thesis addresses two separate problems - an investigation of the interaction of probe molecules with crystalline rutile and an investigation of the environment of group IA and IIA elements in organometallic compounds.
Ford, Peter S.
core  

Tunable Negative Thermal Expansion in Fe/Cr‐Substituted Nd2Co17 Compounds via Magnetoelastic Coupling

Advanced Science, EarlyView.
This study achieves anisotropic thermal expansion tuning in Nd2(Co1‐xFex)17‐yCry compounds via a magnetoelastic strategy. Variable‐temperature synchrotron X‐ray diffraction reveals that increased Fe content induces switchable lattice responses. Compositional control reduces the volume expansion coefficient αV by 20% (x═0.7) and modulates TC (442–625 K),
Jiayuan Li, Chenfei Qv, Haoran Tu, Qinfen Gu, Wayne D. Hutchison, Stewart J. Campbell, Zhenxiang Cheng, Wenquan Wang, Jianli Wang   +8 more
wiley   +1 more source

The Trichinella Super‐Pangenome Reveals the Evolution of Encapsulation and Predicted Host–Parasite Protein Interactions

Advanced Science, EarlyView.
ABSTRACT The muscle capsule of Trichinella is a critical structure that impedes immune attacks and drug penetration, yet the molecular mechanisms underlying its formation remain poorly understood. Using a high‐quality super‐pangenome comprising 12 Trichinella species, we compared extensive genomic variations between encapsulating and non‐encapsulating ...
Qingbo Lv, Yi Liu, Ning Xu, Xiao Zhang, Yaming Yang, Chengyao Li, Hanhai Mao, Mingyuan Liu, Xiaolei Liu   +8 more
wiley   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

Advanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren, Zhenzhou Guo, Huirong Wu, Peilin Huang, Jie Yang, Jie Zhang, Guangqian Ding, Hongkuan Yuan, Biao Wang   +8 more
wiley   +1 more source

Crystal Facet‐Polysaccharide Matching in CFS‐P Nanocrystals Drives Fungal Uptake, Vacuole Destruction, and Selective Antifungal Activity

Advanced Science, EarlyView.
Facet‐engineered PVP‐capped CuFeSe2 nanocrystals exhibit potent, selective antifungal activity by strongly binding cell‐wall mannan, enabling vacuolar entry and organelle disruption. High‐index facets show superior mannan affinity, validated by theoretical calculations and experiments. CFS‐P induces vacuolar cavitation, mitochondrial abnormalities, and
Zhaohui Wang, Xiaojin Deng, Xujuan Huang, Yuhang Pan, Yao Qin, Lu Zhang, Le Xu, Tianyi Qin, Deteng Zhang, Yi Ma, Yalong Wang   +10 more
wiley   +1 more source

Computational study of the structure of indium alloys at low temperatures using ab initio methods [Presentation]

Presentation for the thesis "Computational Study of the Structure of Indium Alloys at Low Temperatures Using ab initio Methods."KEYWORDS: Density Functional Theory, Solid State Physics, Computational ...
Shin, Hongsik (Jay)
core  

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source