Results 141 to 150 of about 1,553 (242)

DeepDOX1: A Dual-Drive Framework Integrating Deep Learning and First-Principles Quantum Chemistry for Drug-Protein Affinity Prediction. [PDF]

JACS Au
Liu Z, Sun H, Wang Y, Ren Y, Rao L, Huang Z, Cao H, Hu X, Zhu X, Li M, Wan J.   +10 more
europepmc   +1 more source

Ratiometric Mycotoxin Detection in Living Plants With Dual‐Emissive Nanosensors

Advanced Materials, EarlyView.
A minimally invasive microneedle patch integrates carbon dot‐embedded metal–organic frameworks as nanosensors to detect a key fungal toxin in living plants. The nanosensor produces a ratiometric fluorescence signal that enables early, non‐destructive diagnosis of fungal infection before visible symptoms, offering a new biomaterials‐based strategy for ...
Yuliang Li, Di Shen, Ziyang Huang, Suppanat Puangpathumanond, Calvin Thenarianto, Yue Zhao, Jolly Madathiparambil Saju, Rajani Sarojam, Dongmei Zhou, Tedrick Thomas Salim Lew   +9 more
wiley   +1 more source

OpenOrbitalOptimizer─A Reusable Open Source Library for Self-Consistent Field Calculations. [PDF]

J Phys Chem A
Lehtola S, Burns LA.
europepmc   +1 more source

Space‐Time Coding Conformal Metasurfaces for Multifrequency Beam Steering and Shaping

Advanced Materials, EarlyView.
Space‐time coding conformal metasurfaces enable dynamic wave control on curved surfaces by combining programmable spatial patterns with temporal modulation. This study shows that a single conformal aperture can independently manipulate multiple frequency components, achieving multifunctional beam shaping and steering, with implications for ...
Filippo Pepe, Lei Zhang, Yi Ning Zheng, Xiao Qing Chen, Ivan Iudice, Giuseppe Castaldi, Marco Di Renzo, Tie Jun Cui, Vincenzo Galdi   +8 more
wiley   +1 more source

Semi-supervised segmentation of RNA 3D structures using density-based clustering. [PDF]

Comput Struct Biotechnol J
Le QK, Angel E, Tahi F, Postic G.
europepmc   +1 more source

Atomic decomposition of molecular properties

, 2016
In this thesis, new methodology of computing properties aimed for multipleapplications is developed. We use quantum mechanics to compute propertiesof molecules, and having these properties as a basis, we set up equations basedon a classical reasoning.
openaire   +1 more source

Sonoenzymatically Triggered Cascading Degradation of Bioresorbable Materials for On‐Demand Transient Triboelectric Implants

Advanced Materials, EarlyView.
Our SEA strategy provides an efficient and biosafe approach for the on‐demand removal of implanted bioresorbable materials through cascading degradation that couples ultrasound‐triggered rapid mechanical disintegration with subsequent enzymatic degradation.
Jinsong Kim, Dong‐Min Lee, Youngwook Chung, Byung‐Joon Park, Hyeon Mo, Jong Won Seon, Han‐Yup Yum, Bosung Kim, Byung‐Ok Choi, Sang‐Woo Kim   +9 more
wiley   +1 more source

A hierarchy index for networks in the brain reveals a complex entangled organizational structure. [PDF]

Proc Natl Acad Sci U S A
Pathak A, Menon SN, Sinha S.
europepmc   +1 more source

MOCVD‐Grown MoS2 Wafers as a Transfer‐Free Platform for Top‐Gate Devices via Dry Interface Engineering

Advanced Materials, EarlyView.
We reveal the electronic origin of hidden interfacial doping in monolayer MoS2 grown by MOCVD, identifying sulfate related and water like species as intrinsic donors. Through dry interface engineering approach, we demonstrate MOCVD‐grown single‐crystal MoS2 wafers as a transfer‐free platform for the reliable evaluation of intrinsic gate stacks and ...
Shuhong Li, Juiteng Chang, Keisuke Atsumi, Kosei Matsumoto, Itsuki Tanaka, Tomonori Nishimura, Kaito Kanahashi, Takahiro Nagata, Jun Nara, Yoshiki Sakuma, Emi Kano, Nobuyuki Ikarashi, Kosuke Nagashio   +12 more
wiley   +1 more source

Selected Configuration Interaction Using Time-Evolved Population Statistics. [PDF]

J Chem Theory Comput
Weaving T, Mingare A, Ralli A, Coveney PV.   +3 more
europepmc   +1 more source