Results 231 to 240 of about 275,443 (291)

A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic Densities. [PDF]

J Phys Chem Lett
Huang Z, Luo R, Duan Y.
europepmc   +1 more source

Ultrasound‐Activatable Piezoelectric Hydrogel Reprograms Mitochondrial Epigenetics for Osteoarthritis Therapy via the mTOR/GATD3A Axis

Advanced Science, EarlyView.
An ultrasound‐activatable piezoelectric hydrogel reprograms chondrocyte mitochondrial epigenetics via the mTOR/GATD3A axis, clearing damaged mitochondria and alleviating osteoarthritis progression in both mouse models and human cartilage explants. ABSTRACT The avascular nature of cartilage hinders drug delivery for osteoarthritis (OA) therapy.
Hui Zheng, Pengfei Yan, Peng Liu, Chang Yan, Mengqi Zhao, Zuyong Wang, Chao Ma, Rongkai Zhang, Xi Cui, Swee Hin Teoh   +9 more
wiley   +1 more source

Towards next generation enzyme mimics through local electric field control in organic cage catalysts. [PDF]

Chem Sci
Vitek M, Rončević I, Andrews KG.
europepmc   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

First hyperpolarizability of dithienylethene-based photoswitches: a structure-property relationship study. [PDF]

RSC Adv
Sarkar K, Misra R, Groß A, Sarkar R.
europepmc   +1 more source

Halide Perovskite: A Rich Source of Thermal Insulator

Advanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye, Bangzhi Ge, Yuan Yu, Chongjian Zhou   +3 more
wiley   +1 more source

Car-Parrinello molecular dynamics of QMAP-DMSO microsolvation: first-shell structure and solvent-induced polarization. [PDF]

J Mol Model
Medeiros R, Osório FAP, Valverde C, Camargo AJ.   +3 more
europepmc   +1 more source

Mitigating Freezing Artifacts in Polar Coarse-Grained Water through Rebalancing Electrostatic and van der Waals Interactions: A Case Study of the pSPICA Force Field. [PDF]

J Phys Chem B
Tsai YC, Cheng QY, Shinoda W, Chiu CC.
europepmc   +1 more source

Electric-Field-Controlled Rotational Spectroscopy for Highly Selective Gas Sensing. [PDF]

Sensors (Basel)
Branković Z, Branković G, Despotović Ž, Rostovtsev Y.   +3 more
europepmc   +1 more source