Results 71 to 80 of about 874,043 (292)

Density functional study of norfloxacin

四川大学学报. 自然科学版, 2017
The molecule of norfloxacin was investigated with the density functional theory (DFT), and the molecular geometry was optimized by utilizing B3LYP method at the levels of 6-311+G(d,p). Based on the optimized geometry, the infrared absorption spectra (IR)
SUN Ting-Ting, HUANG Ju, HE Wei-Ping, WANG De-Tang   +3 more
doaj  

A Holistic Platform Approach for Developing Robust Pulmonary mRNA Delivery: Integrating Novel Phenolic Acid‐Derived Ionizable Lipids and Device Engineering

Advanced Functional Materials, EarlyView.
An integrated pulmonary mRNA delivery platform combining novel biodegradable syringic acid‐derived ionizable lipids, design‐of‐experiments formulation optimization, and vibrating‐mesh nebulizer engineering enabled stable aerosolization and efficient lung delivery.
Neha Kaushal, Younan Ma, Asad Khanmohammed, Dipen Parande, Hanming Zhang, Saket Dolare, Juliet Chen, Apiwat Wangweerawong, Saswata Karmakar, Hongfeng Deng, Frank Koppenhagen, Shraddha Sharma, Eric Reyes, Sherry He, Lianne Boeglin, Caroline Woo, Azadeh Paksa, Ayed Allawzi, Anusha Dias, Gregory Troiano, Shrirang Karve, Frank DeRosa   +21 more
wiley   +1 more source

Designing Vanadium‐Based Oxide Electrocatalysts for Water Splitting: Experimental and Mechanistic Insights with Machine Learning

Advanced Functional Materials, EarlyView.
This review establishes structure‐property‐mechanism relationships across six modification strategies for V‐based oxide water‐splitting electrocatalysts: lattice engineering, heteroatom doping, interface engineering, carbon‐based hybridization, morphology engineering, and surface reconstruction and pre‐catalyst design, where dissolution is reframed as ...
Youness El Issmaeli, Amina Lahrichi, Hoje Chun, Rafael Gómez‐Bombarelli, Bruno G. Pollet   +4 more
wiley   +1 more source

Photo‐Switchable Molecular Module Programming PET Biodegradation in Aquatic Environments

Advanced Functional Materials, EarlyView.
We address the plastic durability paradox by integrating an itaconic acid–derived pyrrolidone module into polymer backbones. Sunlight in water triggers Norrish Type I ring‐opening and hydrophilization, enabling rapid biodegradation into nontoxic minerals.
Mohammad Asif Ali, Jixin Zheng, Satoshi Wakai, Jie Liu, Hidetaka Nomaki, Misato Tsukatani, Noriyuki Isobe, Jingcheng Sang, Yuriko Aoki, Hideo Okamura, Daisuke Sasaki, Chiaki Ogino, Yuzo Yamazaki, Takashi Nishikaze, Kenji Takada, Maiko K. Okajima, Tatsuo Kaneko   +16 more
wiley   +1 more source

Architecture‐Driven Functional Coupling in Vertically Aligned Nanocomposites

Advanced Functional Materials, EarlyView.
Vertically aligned nanocomposites define a growth‐engineered architecture in which vertical interfaces, strain fields, defect pathways, and phase connectivity are created simultaneously. This review shows how these architectural features couple ferroic, optical, ionic, electrochemical, and device responses, establishing design rules and open challenges
Md Shatil Islam‐Shanto, Javier Zamudio‐García, Abraham Sánchez‐Caballero, David Marrero‐López, Vincenzo Esposito   +4 more
wiley   +1 more source

Decoupling the Size and Loading Effects in Silver Nanoparticles for Efficient Paired Carbon Dioxide and Formaldehyde Electrolysis

Advanced Functional Materials, EarlyView.
We investigate size‐dependent CO selectivity on Ag nanoparticles, where optimized Ag loading achieves nearly 100% Faradaic Efficiency for CO at −100 mA·cm−2. In situ SERS and XPS reveal the crucial role of optimized loading in catalytic performance. The Ag/C catalyst further exhibits bifunctional activity, enabling efficient electrolysis of CO2 and ...
Venkata S. R. K. Tandava, Clara Große, Debabrata Bagchi, Zhenye Zhu, Suptish Ghosh, J. Niklas Hausmann, Carsten Walter, Rosario Suarez Anzorena, Catalina Elena Jimenez, Yasmin Lucero Cobos‐Becerra, Jack C. Q. Fletcher, Tobias Sontheimer, Michael Schwarze, Holger Dau, Matthias Driess, Marcus Bär, Prashanth W. Menezes   +16 more
wiley   +1 more source

Covalent Functionalization of 2D Semiconductors: A Roadmap to Advanced Electronic Devices

Advanced Functional Materials, EarlyView.
This Review presents recent advances in the covalent functionalization strategies for two‐dimensional semiconductors and their implementation in modern technologies. Layered materials are modified through diverse molecular chemistries (e.g., thiols, diazonium salts, alkyl halides, and electron‐deficient species) to tailor their surface properties ...
Ramiro Quirós‐Ovies, Bin Han, Paolo Samorì   +2 more
wiley   +1 more source

A Unified, Physical Framework for Mean Motion Resonances

The Astrophysical Journal
The traditional approach to analyzing mean motion resonances (MMRs) is through the canonical perturbation theory. While this is a powerful method, its generality leads to complicated combinations of variables that are challenging to interpret and require
Daniel Tamayo, Samuel Hadden
doaj   +1 more source

Protein‐Nanoarchitectures for Low‐Field Intracellular Electro‐Immunomodulation

Advanced Functional Materials, EarlyView.
DHQ‐SDH‐mediated binding of AuNPs drives the formation of interconnected, chain‐like nanoarchitectures with enhanced electrical conductivity. These conductive assemblies undergo macrophage uptake and enable low‐field electrical stimulation, promoting M1‐to‐M2 phenotypic switching with decreased iNOS and increased CD206 expression. Such protein‐mediated
Viktoriya Pakharenko, Djanira Rodrigues Negrão, Tanmay Gupta, Robert Jeng, Otavio Augusto Titton Dias, Maia Jaffer‐Diaz, Dinesh Christendat, Mohini Sain   +7 more
wiley   +1 more source

Hybrid Ferroelectric Tunnel Junctions with Intrinsic Nonlinearity and Self‐Rectification via Interfacial Reconstruction

Advanced Functional Materials, EarlyView.
Rapid thermal annealing reconstructs the BCFO/Nb:STO interface into an atomically thin reconstructed interfacial layer, which reshapes the tunneling barrier and converts a high‐TER ferroelectric tunnel junction into an intrinsically nonlinear, self‐rectifying device.
Hojin Lee, Joonbong Lee, Jinho Byun, Sang‐Hyeok Yang, A young Cho, Sangwoo Lee, Dae Haa Ryu, Hyunbin Chung, Hee Seo Yun, Moon Seop Choi, Yesul Choi, Sungkyun Park, Min‐Hyung Jung, Dongwon Lee, Yoon‐Uk Heo, Hu Young Jeong, Hongseok Kim, Shinhyeong Lee, Yunseok Kim, Young‐Min Kim, Jaekwang Lee, Taekjib Choi   +21 more
wiley   +1 more source