Results 121 to 130 of about 291,774 (264)

An Automated Workflow for Diagnosing Sampling Issues Caused by Slow Torsional Motions in Molecular Simulations. [PDF]

J Chem Inf Model
Osato M, Dabbous T, Mobley DL.
europepmc   +1 more source

Spin Injection Of Exciton–Polaritons With Halide Perovskites At Room Temperature

Advanced Functional Materials, EarlyView.
A monolithic Tamm‐plasmon microcavity embedding a two‐dimensional halide perovskite enables room‐temperature spin injection of exciton‐polaritons under quasi‐resonant optical excitation. Polarization‐resolved spectroscopy reveals partial preservation of the injected spin in the lower polariton branch, while bare excitons remain fully depolarized.
Elena Sendarrubias Arias‐Camisón, Maksim Lednev, Jorge Cuadra, Raúl Gago, Luis Viña, Francisco José García Vidal, Johannes Feist, Ferry Prins, Carlos Antón Solanas   +8 more
wiley   +1 more source

Detection of gas bubbles and local voids in molecular simulations using burbuja. [PDF]

Protein Sci
Muñiz-Chicharro A, Votapka LW, Amaro RE.   +2 more
europepmc   +1 more source

Swelling‐Programmed Topographical Guidance for Dynamic Spheroid Self‐Assembly via a Mechanochemical Hydrogel Niche

Advanced Functional Materials, EarlyView.
A swelling‐programmed micropatterned hydrogel guides adherent cells through a controlled transition from cell–matrix anchoring to cadherin‐mediated cell–cell compaction, enabling rapid assembly of high‐viability spheroids with defined size and morphology.
Han Gyeol Nam, Seon Yeong Chae, Young Woo Kwon, Hye Jin Heo, Hye Rin Lee, Ji Hyeok Lee, Dong‐Wook Han, Yun Hak Kim, Suck Won Hong   +8 more
wiley   +1 more source

Fully Additive Vertical Organic Electrochemical Transistors on Renewable and Compostable Substrates Enable Ultrasensitive Bioelectronics

Advanced Functional Materials, EarlyView.
Fully additive vertical organic electrochemical transistors (vOECTs) with channel‐length of 226 nm on a 50 µm compostable substrate achieve >106 current modulation and ∼36 mS transconductance. Ion‐selective integration enables 1.1 mA dec−1 sensitivity and 36 µm detection limit, highlighting a scalable platform for sustainable electronics and ...
Giulia Frusconi, Samuele Lavelli, Zsolt M. Kovács‐Vajna, Fabrizio Torricelli   +3 more
wiley   +1 more source

Macrocycle Conformational Flexibility as a Key to Enantioselective Recognition

JACS Au
Tadeu Luiz Gomes Cabral, Matthias Stein, Claudio F. Tormena   +2 more
doaj   +1 more source

Intrinsic Photoactive Star ZnPc–Poly(glutamate) Nanoplatforms for Multimodal Glioblastoma Therapy and Brain‐Targeted Delivery

Advanced Functional Materials, EarlyView.
An intrinsic photoactive star‐shaped zinc phtalocyanine‐poly(L‐glutamic acid) (ZnPc‐PGA) nanoplatform for multimodal glioblastoma (GBM) therapy and brain‐targeted elivery. A ZnPc‐PGA‐based multifunctional theranostic nanocarrier platform enables image‐guided, multimodal GBM therapy. ZnPc‐PGA nanocarriers support the integration of fluorescence imaging,
Amina Benaicha‐Fernández, Teodora Ranđelović, Ana Armiñán, Víctor Sebastián, Manuel Fuentes, Cristián Huck‐Iriart, Esther Masiá, Paula Carrascosa‐Marco, Pablo Juanes‐Velasco, Snežana Đorđević, Clara Bayona, Ignacio Ochoa, Maria Medel, Inmaculada Conejos‐Sánchez, María J. Vicent   +14 more
wiley   +1 more source

Targeting Ubiquitin-Specific Protease 7 (USP7): A Pharmacophore-Guided Drug Repurposing and Physics-Based Molecular Simulation Study

ACS Omega
Duaa Kanan, Tarek Kanan, Berna Dogan, Ismail Erol, Serdar Durdağı   +4 more
doaj   +1 more source

Molecular Simulations of Biomembranes: From Biophysics Fundamentals to Biological Function. [PDF]

Membranes (Basel)
Ashrafuzzaman M, Tuszynski JA.
europepmc   +1 more source

X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites

Advanced Functional Materials, EarlyView.
We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim, Gayoung Seo, Seong Yeon Park, Juwon Jang, Yunho Ahn, Samiksha Mukesh Jain, Samrat Das Adhikari, Harumi Correa‐Leiva, Ignacio Utreras‐Asenjo, Oscar A. Douglas‐Gallardo, Carina Pareja‐Rivera, Kayoung Cho, Byeongsung Kim, Jhonatan Rodriguez‐Pereira, Eunseo Choi, JaeHong Park, Jin Ho Bang, Danilo H. Jara‐Quinteros, Sixto Giménez, Seog Joon Yoon, Andrés F. Gualdrón‐Reyes, Iván Mora‐Seró   +21 more
wiley   +1 more source