Results 181 to 190 of about 2,367,547 (250)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Quantification of beta-cell carrying capacity in prediabetes. [PDF]

PLoS Comput Biol
Woller A, Tamir Y, Bar A, Mayo A, Rein M, Godneva A, Mendelson Cohen N, Segal E, Toledano Y, Shilo S, Gonze D, Alon U.   +11 more
europepmc   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Review Areca Thirteen Pill (GY-13) for depression: a ConPhyMP-Informed critical review of material definition, pharmacological evidence, and translational Heyi-neuroplasticity-stress hypotheses. [PDF]

Front Pharmacol
Dai N, Bao Z, Chen X.
europepmc   +1 more source

Single‐Cell Dissection of Microglial Dysfunction in Diabetes‐Associated Neurodegenerative Vulnerability

Advanced Science, EarlyView.
Using single‐cell transcriptomic and epigenomic profiling, researchers mapped microglial dysfunction across the lifespan of db/db mice. The authors uncovered a nonlinear microglial remodeling featuring early inflammatory priming, a mid‐stage transcriptional inflection, and late dysfunction.
Jizhou Zhang, Tsz Kwan Yau, Joyce Tse, Tsz Ho Li, Dongjie Hu, Yong Juan Zhao, Ting‐Fung Chan   +6 more
wiley   +1 more source

Anion-engineered CsInTiS₄₋ₓOₓ (x = 0.8) quantum dots for enhanced nonlinear photonics and optoelectronics. [PDF]

Sci Rep
El-Bana MS, Alsulami A, El-Mansy MAM.
europepmc   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

Advanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

Does G-ALPS measure glymphatic function? Revisiting construct validity in diffusion-based glymphatic imaging. [PDF]

Alzheimers Dement
Camargos EF, Olegário RL, Nóbrega OT.
europepmc   +1 more source

Neuromorphic Near‐Sensor and In‐Sensor Computing Enabled by Next‐Generation Material‐Based Sensors

Advanced Science, EarlyView.
This Review presents a structural framework that classifies neuromorphic sensing into near‐sensor and in‐sensor architectures, clarifying physical coupling between sensing and computation. The framework connects neural and synaptic device functions with recent advances in optical, mechanical, and chemical sensing, compares energy consumption and ...
Su Yeon Jung, Gwang Ya Kim, Sejin Kim, Hyunjong Seo, Se Gi Lee, Sang Min Won, Dongjoon Rhee, Joohoon Kang   +7 more
wiley   +1 more source

Machine learning prediction of photoionization cross section in GaAs AlGaAs quantum dot ring nanostructures. [PDF]

Discov Nano
Jaouane M, Zeiri N, Arraoui R, Sali A, Murshed MN, Hayrapetyan D.   +5 more
europepmc   +1 more source