Results 211 to 220 of about 1,950,764 (301)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

A Cationic Supramolecule With Potent Antifungal Activity, Single‐Species Selectivity, and Strong Synergy With Echinocandins

Advanced Science, EarlyView.
We introduce a new membrane‐active antifungal design, Gua‐SMACS‐16, that exhibits high potency and single‐species selectivity for C. tropicalis while sparing other close species in the Candida genus. Moreover, when combining with caspofungin, a clinical antifungal drug inhibiting 1,3‐β‐glucan synthase, they exhibit ultra‐strong synergy across a panel ...
Tianjiao Dai, Adrielle Xianwen Chen, Eve Wai Ling Chow, Li Mei Pang, Jianguo Li, Chandra Shekhar Verma, Stefan H. Oehlers, Yue Wang, Ning Li   +8 more
wiley   +1 more source

Advanced Multiscale Modeling for Revealing Anomalous Fluid Transport Induced by Confinement Interfacial Layer Reconstruction in Sub‐10 nm Space

Advanced Science, EarlyView.
Integrating experimental insights with molecular dynamics simulations, we establish an advanced mathematical model for fluids confined in sub‐10‐nm channels, enabling quantitative prediction of interfacial layer thickness and viscosity by accounting for channel material, temperature, and fluid properties.
Xiang Zhang, Bing Wei, Jingyi Wang, Runnan Wu   +3 more
wiley   +1 more source

Black tea and improvement of attention: evaluation of a health claim pursuant to Article 13(5) of Regulation (EC) No 1924/2006. [PDF]

EFSA J, 2018
EFSA Panel on Dietetic Products, Nutrition and Allergies (NDA), Turck D, Bresson JL, Burlingame B, Dean T, Fairweather-Tait S, Heinonen M, Hirsch-Ernst KI, Mangelsdorf I, McArdle HJ, Naska A, Neuhäuser-Berthold M, Nowicka G, Pentieva K, Sanz Y, Sjödin A, Stern M, Tomé D, Van Loveren H, Vinceti M, Willatts P, Martin A, Strain SJ, Siani A.   +24 more
europepmc   +1 more source

Physics‐Constrained Constitutive Learning of Rate‐Limiting Timescales for Efficient Hydrogen‐Based Direct Reduction for Green Steel Making

Advanced Science, EarlyView.
A conversion‐resolved constitutive framework is developed for the hydrogen‐based direct reduction of iron oxide pellets. Effective reaction and transport timescales are inferred directly from measured trajectories and mapped against operating conditions, pellet architecture, and composition. The analysis reveals how late‐stage transport control emerges
Anurag Bajpai, Barak Ratzker, Pasquale Cavaliere, Dierk Raabe   +3 more
wiley   +1 more source

The EFSA Health Claim on Olive Oil Polyphenols: Acid Hydrolysis Validation and Total Hydroxytyrosol and Tyrosol Determination in Italian Virgin Olive Oils. [PDF]

Molecules, 2019
Bellumori M, Cecchi L, Innocenti M, Clodoveo ML, Corbo F, Mulinacci N.   +5 more
europepmc   +1 more source

High‐Yield Fabrication of Electrolyte‐Gated Transistors Based on Graphene Acetic Acid

Advanced Electronic Materials, EarlyView.
We fabricated a liquid‐gated transistor based on graphene acetic acid, which is dielectrophoretically deposited, featuring a spatial resolution down to 10 microns. Our method enables a versatile and reproducible fabrication featuring state‐of‐the‐art performance.
Georgian Giani Ilie, Lara Franchin, Ludovica Pradetto Battel, Stefano Bonaldo, Alessandro Paccagnella, Biagio di Vizio, Stefano Agnoli, Rafael C. Hensel, Antonio Gaetano Ricciardulli, Simone Battiston, Mauro Sambi, Francesco Sedona, Paolo Samorì, Stefano Casalini   +13 more
wiley   +1 more source

Nutrimune and immune defence against pathogens in the gastrointestinal and upper respiratory tracts: evaluation of a health claim pursuant to Article 14 of Regulation (EC) No 1924/2006. [PDF]

EFSA J, 2019
EFSA Panel on Nutrition, Novel Foods and Food Allergens (EFSA NDA Panel), Turck D, Castenmiller J, De Henauw S, Hirsch-Ernst KI, Kearney J, Knutsen HK, Maciuk A, Mangelsdorf I, McArdle HJ, Naska A, Pelaez C, Pentieva K, Thies F, Tsabouri S, Vinceti M, Bresson JL, Siani A.   +18 more
europepmc   +1 more source

Exfoliated‐MoS2 Gradual Resistive Switching Devices as Artificial Synapses

Advanced Electronic Materials, EarlyView.
A vertical memristor based on untreated, exfoliated MoS2 is presented, revealing gradual resistive switching governed by Schottky barrier modulation at the MoS2/metal interface from the trapping/detrapping of charges. Furthermore, the device emulates synaptic‐like plasticity functions, including: potentiation, depression, and spike‐amplitude‐dependent ...
Deianira Fejzaj, Richard Schroedter, Thomas Mikolajick, André Heinzig   +3 more
wiley   +1 more source

A combination of beta-sitosterol and beta-sitosterol glucoside and normal function of the immune system: evaluation of a health claim pursuant to Article 13(5) of Regulation (EC) No 1924/2006. [PDF]

EFSA J, 2019
EFSA Panel on Nutrition, Novel Foods and Food Allergens (NDA), Turck D, Castenmiller J, De Henauw S, Hirsch-Ernst KI, Kearney J, Knutsen HK, Maciuk A, Mangelsdorf I, McArdle HJ, Naska A, Pelaez C, Pentieva K, Thies F, Tsabouri S, Vinceti M, Bresson JL, Siani A.   +18 more
europepmc   +1 more source