Results 141 to 150 of about 336,307 (265)

Building a Consistent and Reproducible Database for Adsorption Evaluation in Covalent–Organic Frameworks

ACS Central Science, 2019
Daniele Ongari, Aliaksandr V. Yakutovich, Leopold Talirz, Berend Smit   +3 more
doaj   +1 more source

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

ACS Central Science, 2020
Daniele Ongari, Leopold Talirz, Berend Smit   +2 more
doaj   +1 more source

Constrained shadow tomography for molecular simulation on quantum devices. [PDF]

Chem Sci
Avdic I, Wang Y, Rose M, Payne Torres LI, Schouten AO, Sung KJ, Mazziotti DA.   +6 more
europepmc   +1 more source

Multifunctional Neutrophil Nanovesicles Induce Remodeling of Tumor Immune Microenvironment and Synergistic Multimodal Tumor Therapy

Advanced Functional Materials, EarlyView.
Schematic illustration of the engineered RN@FDT for multimodal tumor therapy. a) Fabrication of FD&DOX/TFA‐loaded RGD‐NNV (RN@FDT) and the light‐triggered disassemble of RN@FDT. b) After internalized by tumor cells, RN@FDT are disintegrated under NIR‐II laser irradiation to boost PTT and induce cell apoptosis.
Jiahui Zhang, Cheng Ji, Xin‐Jian Fang, Yu Qian, Jiayuan Shi, Wenhui Liu, Baiyuan Fan, Yuan Zhong, Jiayi Wang, Dan Yu, Maoye Wang, Min Fu, Xiaoxin Zhang, Runbi Ji, Hélder A. Santos, Hongbo Zhang, Xu Zhang   +16 more
wiley   +1 more source

Analysis of novel umami peptides in Dengchuan beef and their taste mechanism: Integrated peptidomics, machine learning and molecular simulation studies. [PDF]

Curr Res Food Sci
Zheng W, Chai Y, Wang Y, Yang X, He J, Li Q, Wei G, Huang A, Li Y.   +8 more
europepmc   +1 more source

Gradient‐Conductivity Architecture Enables Synchronous Enhancement of Sensitivity and Detection Range in Multifunctional All‐Paper Sensors

Advanced Functional Materials, EarlyView.
A gradient‐engineered all‐paper sensor is fabricated by integrating MXene and in situ grown AgNPs within hierarchical cellulose networks. The device breaks the sensitivity–detection range trade‐off through cascaded conductive pathways, enabling ultrahigh pressure sensitivity, humidity–pressure decoupled dual‐mode sensing, and outstanding EMI shielding,
Ao Li, Jun Xu, Dezhong Xu, Zhaohui Zhang, Jiyi Li, Daxian Cao, Kefu Chen, Mizi Fan   +7 more
wiley   +1 more source

Inclusion Complexation of Native and Functionalized α-, β-, and γ-Cyclodextrins with PFAS: An Experimental and Molecular Simulation Study. [PDF]

J Phys Chem B
Sha B, Soodan A, Lompe KM, Barin G, Vlugt TJH, Peristeras LD, Moultos OA.   +6 more
europepmc   +1 more source

Mechanical Programming of PEGDA‐β‐CD Polyrotaxane‐Based Hydrogels via Host–Guest Molecular Recognition

Advanced Functional Materials, EarlyView.
A mechanically programmable hydrogel for tissue engineering is developed by modulating the molecular threading density of poly(ethylene glycol) diacrylate‐β‐cyclodextrin (PEGDA‐β‐CD) polyrotaxane and combining it with β‐CD‐modified gelatin. The polyrotaxane‐guided transition from disordered pores to laminar microstructures enables precise tuning ...
Shiyi Chen, Xudan Xing, Haopu Su, Dominik Voll, Xiaohe Xu, Jiafeng Wan, Tongtong Cui, Christian W. Schmitt, Stefan Bräse, Peng Li, Patrick Théato   +10 more
wiley   +1 more source

Differential oxidation of surimi actomyosin by malondialdehyde and heme: spectroscopy and molecular simulation. [PDF]

NPJ Sci Food
Zhu H, Zhang Q, Simpson BK, Wang Y, Ding Y, Liu S, Zhu S, Zhou X.   +7 more
europepmc   +1 more source

Emerging Post‐CMOS Hardware Neurons for Brain‐Inspired Computing: Devices, Circuits, and System Integration

Advanced Functional Materials, EarlyView.
The physical realization of artificial neurons is a critical challenge for energy‐efficient neuromorphic computing. This review presents a comprehensive analysis of the evolution of artificial neuron implementations from conventional CMOS to emerging post‐CMOS technologies.
Kannan Udaya Mohanan, Hocheon Yoo, Benoît H. Lessard, Ioannis Kymissis, Chang‐Hyun Kim   +4 more
wiley   +1 more source