Results 221 to 230 of about 3,046,010 (256)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Fullerene-Doped Poly(ionic liquids) as Small Molecular Gas Sensors-Control of Intermolecular Interactions. [PDF]

ACS Omega
Otta J, Mikuláštík J, Šípka R, Stein M, Kühne IA, Vrňata M, Vlček J.   +6 more
europepmc   +1 more source

Harnessing Phase Separation for the Development of High‐Performance Hydrogels

Advanced Science, EarlyView.
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao, Yiming Ma, Baihao Shao, Molly M. Stevens   +3 more
wiley   +1 more source

Keep Your TEMPO Up: Nitroxide Radicals as Sensors of Intermolecular Interactions. [PDF]

Molecules
Shenderovich IG.
europepmc   +1 more source

Tailored Stereo‐Configuration of Crosslinkable Polyester‐Based Solid Polymer Electrolytes for All‐Solid‐State and Binder‐Free Li Metal Batteries

Advanced Science, EarlyView.
Variations in polymer conformations of unsaturated poly(n‐alkyl esters) driven by monomer‐level stereochemistry directly govern Li+ solvation structures in polymer host matrices. The synergistic strategies of polymer conformation control, UV‐induced interchain crosslinking, and end‐group fluorination are implemented for engineering advanced solid ...
Hyun Jun Song, Jeong Yoon Kim, Sungpyo Hong, Yong Hui Kim, Myeong Gyun Nam, Jeong‐Won Ho, Min Gi Kang, Hye Seon Kim, Chaeyeon Ha, Sang Uck Lee, Pil J. Yoo, Patrice Rannou   +11 more
wiley   +1 more source

Two-dimensional organic-inorganic hybrid perovskite quantum-well nanowires enabled by directional noncovalent intermolecular interactions. [PDF]

Nat Commun
Zhang M, Jin L, Zhang T, Jiang X, Li M, Guan Y, Fu Y.   +6 more
europepmc   +1 more source

Structural and Compositional Effects on the Scintillation Properties of Fast Emitting Metal‐Organic Frameworks

Advanced Science, EarlyView.
The crystalline structure, the atomic numbers of the constituent elementsand the size of MOF crystals each influence their photoluminescence and scintillation properties in distinct ways. Together, these factors provide valuable guidelines for designing systems with optimized performance and tunable timing characteristics, arising from the synergistic ...
Francesca Cova, Jacopo Perego, Biplab Joarder, Nobuhiro Yanai, Anna Vedda, Silvia Bracco, Angiolina Comotti, Angelo Monguzzi, Irene Villa   +8 more
wiley   +1 more source

Realization of Intermolecular Interactions as a Basis for Controlling Pervaporation Properties of Membranes Made of Aromatic Polyamide-Imides. [PDF]

Membranes (Basel)
Kononova SV, Gubanova GN, Lebedeva GK, Kruchinina EV, Vlasova EN, Popova EN, Zakharova NV, Vylegzhanina ME, Novozhilova EA, Danilova KV.   +9 more
europepmc   +1 more source

Ultra‐Radiostable Covalent Conformationally Interlocked Networks Enabling a Universal Radiometal‐Labeling Platform for Cancer Radioembolization

Advanced Science, EarlyView.
Conjugated poly(imide dioxime)‐based microspheres establish a radiometal coordination‐driven conformational interlocked network with ultra‐high radiostability. This platform enables low‐temperature, multi‐radionuclide labeling for SPECT/PET/MRI imaging and radionuclide therapy. Mechanistic insights from EXAFS and DFT reveal enhanced stability, while in
Xiao Xu, Zhenwen Zhao, Yangjie Wang, Zhigang Liu, Zhijie Liu, Xiaoling Li, Zhichen Mao, Lu Xu, Gan Lin, Gang Liu, Hongjuan Ma   +10 more
wiley   +1 more source

Chemical and temporal manipulation of early steps in protein assembly tunes the structure and intermolecular interactions of protein-based materials. [PDF]

Protein Sci
Italia V, Jons A, Kaparthi B, Faulk B, Maccarini M, Bertoncello P, Meissner K, Martin DK, Bondos SE.   +8 more
europepmc   +1 more source