Results 191 to 200 of about 320,805 (264)

Coke Deposition in CHA Zeolite Predicted by CO₂ Adsorption Isotherms and Molecular Simulation. [PDF]

ACS Omega
Gonçalves DV, Nascimento BO, Levy HM, Bastos-Neto M, Lucena SMP.   +4 more
europepmc   +1 more source

Advancing Tandem Organic Solar Cells With Ternary Acceptor Control for High‐Power Modules and Solar‐to‐Ammonia Conversion

Advanced Functional Materials, EarlyView.
Tandem organic solar cells with optimized ternary acceptor engineering achieved a power conversion efficiency of 15.53% and enabled a high‐voltage mini‐module (Voc 6.11 V). Integration into a bias‐free PV‐EC system further demonstrated efficient solar‐to‐ammonia (STA) conversion (97% Faradaic Efficiency, 4± 2% STA efficiency), highlighting scalable ...
Seyeong Song, Ahmad Tayyebi, Meysam Tayebi, Jungwoo Heo, Jiwoo Yeop, Dohun Yuk, Na Gyeong An, Jaewon Lee, Gi‐Hwan Kim, Maria del Carmen Gimenez Lopez, Ji‐Wook Jang, Jin Young Kim   +11 more
wiley   +1 more source

The effects of fruit aroma substances on rebaudioside A were studied based on sensory evaluation and molecular simulation. [PDF]

Food Chem X
Tong T, Shan Y, Zhu J, She Y, Niu Y.
europepmc   +1 more source

Pull‐and‐Push Nanotherapeutic Hydrogels: Scavenging Inflammatory Triggers While Driving Tissue Regeneration in Burn Wounds

Advanced Functional Materials, EarlyView.
A nanounit‐assembled hydrogel employing a “pull‐and‐push” strategy simultaneously scavenges pro‐inflammatory cell‐free DNA (cfDNA) and delivers regenerative therapeutics in response to burn‐induced hyperthermia. By repolarizing macrophages and promoting angiogenesis, this multifunctional platform accelerates burn wound healing, offering a blueprint for
Han‐Sem Kim, Seong‐Jin Shin, Sak Lee, Nandin Mandakhbayar, Ji‐Hye Kang, Da‐Young Kong, Seong‐Doo Hong, Ueon Sang Shin, Hae‐Won Kim, Jung‐Hwan Lee   +9 more
wiley   +1 more source

The role of microplastics as vectors of antibiotic contaminants via a molecular simulation approach. [PDF]

Sci Rep
Abdollahi S, Raissi H, Farzad F.
europepmc   +1 more source

Hybrid Solar Cell/Triboelectric Nanogenerator Based on Stable Two‐Dimensional Covalent Organic Frameworks

Advanced Functional Materials, EarlyView.
This study highlights the integration of stable two‐dimensional covalent organic framework (COF) films as photoactive layers in hybrid nanoenergy devices. The results demonstrate their capacity to generate electricity under both sunny and rainy conditions, showcasing versatility and resilience.
Joab D. Guerrero, Susana Ramos‐Terrón, Salvador R. G. Balestra, José M. Malagón, David Aparicio, Lucia Velasco, Asterios Charisiadis, Dooshaye Moonshiram, Margarita Darder, Pilar Aranda, Bernd Wicklein, Gustavo de Miguel, Javier Pérez‐Carvajal, Eva M. García‐Frutos   +13 more
wiley   +1 more source

Exploring in vitro protein digestion of dry fermented sausage under different thermal processing methods: Peptidomics and molecular simulation. [PDF]

Food Chem X
Wang H, Yu C, Wang Z, Zhao L, Zhang X, Zhu M, Ma H.   +6 more
europepmc   +1 more source

Multifunctional Gold Nanocluster‐Based PROTAC System for Targeted Degradation of Phosphorylated Tau and Modulation of Neuroinflammation in Alzheimer's Disease

Advanced Functional Materials, EarlyView.
We present a novel proteolysis‐targeting chimera (PROTAC) system conjugated to lipoic acid gold nanoclusters (PLANC), designed to degrade pTau, regulate inflammatory signaling, and effectively traverse the blood‐brain barrier (BBB). PLANC degraded pTau at various phosphorylation sites, with mechanistic studies confirming proteasome‐mediated degradation
Sarah Nevins, Callan D. McLoughlin, Wan‐Kyu Ko, Hye Kyu Choi, Brandon Conklin, Joshua B. Stein, Yannan Hou, Hongwon Kim, Rohan Khulbe, Ki‐Bum Lee   +9 more
wiley   +1 more source

An integrated study combining network toxicology machine learning and molecular simulation reveals the molecular mechanisms of permanent hair dyes in breast cancer. [PDF]

Discov Oncol
Yang X, Li Y, Zhang T, He B, Wang J, Zhang S, Ma L.   +6 more
europepmc   +1 more source