Results 171 to 180 of about 321,840 (265)

Retraction Note: Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic molecules

Scientific Reports
Mozafar Rezaee, Saeid Ekrami, Seyed Majid Hashemianzadeh   +2 more
doaj   +1 more source

Improving the Mechanical Stability of Metal–Organic Frameworks Using Chemical Caryatids

ACS Central Science, 2018
Seyed Mohamad Moosavi, Peter G. Boyd, Lev Sarkisov, Berend Smit   +3 more
doaj   +1 more source

Integrative multi-omics, network pharmacology, and molecular simulation of herbal compounds targeting immune tolerance mechanisms in food allergy. [PDF]

J Adv Pharm Technol Res
Marhaeny HD, Susilawati D, Hayeeawaema F, Aliyah AN, Pratama YA, Nurfinti WO, Wardani HA, Muslikh FA, Tanujaya AF, Nurhan AD, Widiandani T, Purwanto BT, Miatmoko A, Khotib J.   +13 more
europepmc   +1 more source

Development of Multifunctional Hierarchically Restructured Antibacterial Neural Interfacing Electrodes via Plasma‐Enhanced Atomic Layer Deposition of Zinc Oxide Thin Films

Advanced Functional Materials, EarlyView.
ABSTRACT Next‐generation implantable neural‐interfacing devices are increasingly constrained by the coupled demands of electrode miniaturization, electrochemical performance, and implantation infection risk. Femtosecond laser–based hierarchical surface restructuring (HSR) technology has emerged as a scalable, manufacturing‐compatible platform for ...
Henna Khosla, Wesley Seche, Kriti Panchal, Steven J. May, Ekaterina Pomerantseva, Jacob Elmer, Tyler Cooper, Matthew J. Urban, Hailey Y. Maurer, Gregory A. Caputo, Jeffrey Hettinger, Shahram Amini, Gang Feng   +12 more
wiley   +1 more source

Functionalized MoS₂ nanosheets as high-affinity nanocarriers for gemcitabine: a molecular simulation study. [PDF]

Sci Rep
Najafi F, Farzad F.
europepmc   +1 more source

Tannic Acid‐Modified Cellulose Nanofiber Reinforced Polymerizable Eutectogels for High‐Performance Stretchable Strain Sensors

Advanced Functional Materials, EarlyView.
A polymerizable deep eutectic solvent is reinforced with tannic acid‐modified cellulose nanofibers to construct a hierarchical dynamic eutectogel network. Synergistic covalent and reversible interactions impart ultrahigh stretchability, high ionic conductivity, broad temperature tolerance, self‐healing, and strong adhesion, enabling robust wearable ...
Huang Wu, Yang Hu, Youmin Tuo, Weide Zhang, Nanzhu Bao, Haitao Wu, Zhuangzhuang Chu, Yunhua Chen, Tao Wang, Teng Yuan, Hongbo Zeng, Zhuohong Yang   +11 more
wiley   +1 more source

Nonuniform Chiralization of Metal–Organic Frameworks Using Imine Chemistry

ACS Materials Au
Balázs Álmos Novotny, Sauradeep Majumdar, Andres Ortega-Guerrero, Kevin Maik Jablonka, Elias Moubarak, Natalia Gasilova, Nency P. Domingues, Raluca-Ana Kessler, Emad Oveisi, Fatmah Mish Ebrahim, Berend Smit   +10 more
doaj   +1 more source

Catalytically Enhanced Near Room‐Temperature Hydrogen Sensing Using Pd‐ZnO Colloidal Crystals

Advanced Functional Materials, EarlyView.
Pd‐decorated ZnO colloidal crystal monolayers demonstrate excellent performance across a wide hydrogen concentration range at 33°C, with high selectivity and reproducible device fabrication. The sensors show strong responses even at low‐ppm H2 concentrations and an ultra‐low detection limit of 82 ppb, indicating their suitability for diverse hydrogen ...
Hamidah Alluhaybi, Samuel J. Ippolito, Chung Kim Nguyen, Durairaj Mahendiran, Michelle J. S. Spencer, Edwin L. H. Mayes, Billy James Murdoch, Jason Choi, Shamali De Silva, James Tardio, Adrian Trinchi, Ahmad E. Kandjani, Mohammad Al Kobaisi, Ylias Sabri   +13 more
wiley   +1 more source

Multi-scale theoretical modeling with molecular simulation framework for fly ash-based high-performance concrete. [PDF]

Sci Rep
Vairagade VS.
europepmc   +1 more source