Results 201 to 210 of about 8,826,528 (283)

Solvent effects on the electronic structure, excited states, and nonlinear optical properties of two anthracene-based chalcone derivatives: a DFT and TD-DFT study. [PDF]

J Mol Model
Medeiros R.
europepmc   +1 more source

Advancing SafeWax, A Bio‐Inspired Superhydrophobic Coating, Toward Sustainable and Climate‐Resilient Crop Protection

Advanced Functional Materials, EarlyView.
This study advances SafeWax, a bio‐inspired, fatty‐acids‐based superhydrophobic coating, by identifying an agriculturally compliant solvent and revealing how solvent‐controlled Fatty acid crystallization governs the coating's microscopic structure and performance.
Niv Ben‐Arie, Iryna Polishchuk, Franziska Tauber, Coralie Schneider, Elena Prudnikov, Alessia Calora, Silvia Milita, Simona Fermani, Mireia Alejandra Ibanez Revert, Ilaria Filippetti, Claudio Ratti, Matthias Kellermeier, Markus Rueckel, Boaz Pokroy   +13 more
wiley   +1 more source

Solution-Phase Energy Decomposition Analysis (SP-EDA): Theory and Applications. [PDF]

J Comput Chem
Paragi G, Fonseca Guerra C, Bickelhaupt FM.   +2 more
europepmc   +1 more source

Nanoconfinement‐Induced Second‐Harmonic Circular Dichroism via Chirality–Ferroelectric Coupling

Advanced Functional Materials, EarlyView.
Nanoconfinement of a ferroelectric nematic liquid crystal within a chiral nanoporous sponge yields an enhanced second‐harmonic generation circular dichroism (|gSHG–CD| ≈ 1.1). Polarization‐resolved analysis suggests an additional magnetic‐dipole‐associated nonlinear contribution under nanoconfinement, highlighting chirality–ferroelectric coupling as a ...
Jae‐Jin Lee, Hiroya Nishikawa, Tae‐Woong Moon, Dong‐Ha Kim, Fumito Araoka, Suk‐Won Choi   +5 more
wiley   +1 more source

First hyperpolarizability of dithienylethene-based photoswitches: a structure-property relationship study. [PDF]

RSC Adv
Sarkar K, Misra R, Groß A, Sarkar R.
europepmc   +1 more source

Preferential Interfacial Engineering of Hydrogels via Interdigitated Nanoparticle Assembly

Advanced Functional Materials, EarlyView.
Robust surface functionalization of hydrogel surfaces is performed via interdigitated metal nanoparticle assembly, inducing strong affinity with the hydrogel matrix. The partially exposed nanoparticle domains act as interfacial nanobridges that mediate both chemical and physical bonding with diverse materials, including small molecules, fluorous ...
Hyeonjin Kim, Hyeseoung Lim, Ji Min Lee, Heeyeon Kang, Yongkwon Song, Woojae Chang, So‐Jin Park, Jin Yoo, Atsushi Hozumi, Jinhan Cho, Jongkuk Ko, Sanghyuk Wooh   +11 more
wiley   +1 more source

Enabling Biomolecular Simulations with Neural Network Potentials in GROMACS. [PDF]

J Chem Theory Comput
Müllender L, Hess B, Lindahl E.
europepmc   +1 more source

Melanin's Role in Balancing Mechanical Strength and Reproductive Output in Environmentally Stressed Fungal Spores

Advanced Functional Materials, EarlyView.
Melanin content directly controls fungal spore mechanical properties, with pigmented spores achieving rupture forces two orders of magnitude higher than hyaline spores. Environmental stress drives this quantity‐quality tradeoff; stressed species invest energy in melanin‐reinforced, mechanically superior thick‐walled, super‐hydrophobic spores, while ...
Atul Agrawal, Steven E. Naleway
wiley   +1 more source

Physics-Guided Descriptors Enable Data-Efficient Prediction of Battery Coulombic Efficiency. [PDF]

Adv Sci (Weinh)
Sun Q, Gu X, Jie Y, Yang H, Jiao S, Tang C, Sheng Y, Lu Y, Cao R, Cheng T.   +9 more
europepmc   +1 more source

An Integrated Oxygen‐Supplying Device and Predictive Multiphysics Model for Extended Ambient Transport of Insulin‐Producing Cells

Advanced Functional Materials, EarlyView.
Cell therapies typically rely on cold‐chain logistics and cryopreservation, limiting access and compromising cell quality. Here, a dual‐chamber device separates an oxygen‐supplying chamber from a hyaluronic acid cargo chamber, sustaining oxygen delivery for over 70 h and enabling ambient‐temperature shipment.
Daniel A. Domingo‐Lopez, Ruth Tarpey, Benjamin Brennan, Bryan D. Boyle, Amir M. Alsharabasy, Abhik Mallick, Gabriella Bellavia, Abhay Pandit, Garry P. Duffy, Ruth E. Levey   +9 more
wiley   +1 more source