Results 201 to 210 of about 205,731 (294)

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

Energetic and Spectroscopic Properties of Astrophysically Relevant MgC₄H Radicals Using High-Level Ab Initio Calculations. [PDF]

J Phys Chem A
Roy T, Satpati S, Sinjari A, Anoop A, Thimmakondu VS, Ghosal S.   +5 more
europepmc   +1 more source

A High‐Performance and Fully Recyclable Supramolecular Nanofibrous Membrane for Multifunctional Air Filtration

Advanced Science, EarlyView.
A green, thermoreversible self‐assembly strategy yields a multifunctional and recyclable supramolecular nanofibrous membrane. Graphene oxide (GO) nanosheet acts as a heterogeneous nucleation‐templating agent, simultaneously modulating the supramolecular crystal packing while tailoring the nanofibrous architecture for elite performance.
Wenjing Sun, Ding Yuan, Jiaqi Wan, Junyu Chen, Zhen Yan, Yinuo Yan, Senjie Dong   +6 more
wiley   +1 more source

Predissociation resonances and accurate ab initio calculations of dication HF². [PDF]

RSC Adv, 2021
Liu D, Li R, Ren J, Cheng Y, Yan B, Wu Y, Wang JG, Zhang SB.   +7 more
europepmc   +1 more source

Thermally Modulated Specular Phonon Transport in a High‐Debye‐Temperature Diamond Nanobeam

Advanced Science, EarlyView.
Thermal transport in single‐crystal diamond nanobeams is measured from 140 to 300 K using electro‐thermal micro‐suspended structures. The thermal conductivity shows an increasing deviation from Boltzmann transport predictions assuming fully diffuse boundary scattering at lower temperatures.
Seohee Jang, Seung‐Woo Jeon, Takuma Shiga, Jeeyoung Shin, Sangwook Han, Woosung Park   +5 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

Synergistic Interplay of Acceptor and Isovalent Co‐Doping on BaZrO3‐Based Proton Conducting Oxides: A First‐Principles Study

Advanced Science, EarlyView.
Acceptor and isovalent co‐doping effects on hydration in BaZrO3 proton conductors are systematically investigated using first‐principles calculations. Acceptors enhance hydration by modulating oxygen vacancy formation, whereas isovalent dopants enhance hydration by stabilizing protons via increased A‐site cation–proton distances.
Yonghun Shin, Kyung‐Yeon Doh, June Ho Lee, Shin Hyun Kim, Donghwa Lee   +4 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

Ring Structures of Metal Atom Doped C₉, C₁₁, and C₁₃ Clusters from Ab Initio Calculations-The Finding of a Gd@C₁₃ Magnetic Superatom Ring. [PDF]

ACS Omega
Kumar V.
europepmc   +1 more source