Results 151 to 160 of about 1,209,817 (305)

Dynamic Control of Two‐Component Aggregation and Color‐Tunable Emission via Charge‐Transfer Coassembly

Aggregate, Volume 7, Issue 1, January 2026.
Charge‐transfer coassembly enables precise control over the dynamic aggregation process, resulting in morphology evolution from amorphous aggregates to rod‐like and needle‐like microcrystals, accompanied by a significant fluorescence enhancement. This strategy yields widely tunable solid‐state emission from green to orange‐red, unveiling fundamental ...
Huiting Mao, Xinqi Ge, Jiahui Guo, Zhibo Gong, Na Ding, Shijuan Liu, Guo‐Gang Shan, Ruinian Hua   +7 more
wiley   +1 more source

Optimization Of Detergent-Mediated Reconstitution Of Influenza A M2 Protein Into Proteoliposomes [PDF]

, 2018
We report the optimization of detergent-mediated reconstitution of an integral membrane-bound protein, full-length influenza M2 protein, by direct insertion into detergent-saturated liposomes.
Arbuckle, Douglas Stuart, , \u2717, Bost, Margaret H., , \u2717, Crouch, Catherine Hirshfeld, Green, Bryan M., , \u2716, Grossman, Carl H., Howard, Kathleen P., Kim, Tae H., , \u2714   +6 more
core   +2 more sources

A Competition between Hydrogen, Stacking, and Halogen Bonding in N-(4-((3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)selanyl)phenyl)acetamide: Structure, Hirshfeld Surface Analysis, 3D Energy Framework Approach, and DFT Calculation [PDF]

, 2022
Mohamed Gouda, Hela Ferjani, Hany M. Abd El‐Lateef, Mai M. Khalaf, Saad Shaaban, Tarek A. Yousef   +5 more
openalex   +1 more source

Mechanistic Insights Into One‐Pot Unsaturated Hydrocarbon Hydrogenation/Isomerization: DFT and DTW‐Guided Design of Homomeric High‐Density FLPs and Metal‐Oxygen Electronic Regulation in Multimetal‐Doped MOFs

Carbon Neutralization, Volume 5, Issue 1, January 2026.
In this work, we constructed homomeric high‐density FLPs. By establishing a descriptor model and a novel strategy for dynamic time alignment analysis, we accelerated transition state search by 220‐fold, pioneering a “dynamic dimension” for catalytic performance.
Lingjing Yu, Yuqiao Su, Yujie Guo, Hongyi Gao, Ge Wang   +4 more
wiley   +1 more source

Properties of Bisdiazo Compounds and Their Derived Carbenes via Density Functional Theory

ChemPhysChem, Volume 27, Issue 1, January 2026.
Density function theory (DFT) calculation at level of B3LYP‐(D3)BJ/6‐311G** reveals the fundamental electronic structure of substituted bisdiazo compounds as well as their derived carbene and biscarbene species at both ground and excited states. Extension to physisorption onto single‐layer graphene provides more insight of the surface behaviour of this
Xiaosong Liu, Mark Gerard Moloney
wiley   +1 more source

A Computational Study of a [2]Rotaxane Molecular Shuttle with All‐Atoms Molecular Dynamics and Density Functional Theory Simulations in Solution

ChemPhysChem, Volume 27, Issue 1, January 2026.
A H‐shaped [2]rotaxane is investigated in CH2Cl2 with all‐atoms molecular dynamics simulations combining quantum theory of atoms in molecules (QTAIM) descriptors with density functional theory (DFT) algorithms. Also, the nature of the chemical interactions modulating the formation of a square planar complex following the coordination of a PtCl2 moiety ...
Costantino Zazza, Nico Sanna, Stefano Borocci, Felice Grandinetti   +3 more
wiley   +1 more source

The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis [PDF]

, 2014
Christian Jelsch, Krzysztof Ejsmont, Loïc Huder   +2 more
openalex   +1 more source

Crystal structure and Hirshfeld surface analysis of (Z)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4H)-one. Corrigendum [PDF]

, 2022
W. Zemamouche, Rima Laroun, Noudjoud Hamdouni, Ouarda Brihi, A. Boudjada, Abdelmadjid Debache   +5 more
openalex   +1 more source

Modulating the Favored Emissive State of Functionalized Phenoxazines in Both Solution and the Solid State

ChemPhotoChem, Volume 10, Issue 1, January 2026.
A library consisting of five terephthalonitrile‐based phenoxazines was prepared. Different donor/acceptor functionalization dominates the preferred environment for emission, either in solution, the solid state, or both. Absorption and emission wavelengths correlate with the Hammett parameter σp of the substituents.
Alexander Huber, Lea Höfmann, Sophia Felicitas Stadtfeld, Christoph Wölper, Oleg Prymak, Kenneth E. Maly, Fabio Rizzo, Jens Voskuhl   +7 more
wiley   +1 more source

Designing Stable Graphitic Networks on Ultra‐Porous Polyimide Aerogels via Solvent‐Guided Structuring

Small, Volume 22, Issue 6, 27 January 2026.
A thermally robust, hierarchically porous polyimide aerogel is engineered via solvent‐polymer interaction tuning to enable stable laser‐induced graphitization. The resulting graphene‐integrated structure exhibits low resistivity, excellent dielectric performance, and thermal insulation, supporting applications in flexible electronics, thermal ...
Tingting Wu, Mengmeng Li, Mingxiang Gao, Christopher H. Dreimol, Ekaterina Filimonova, Qin Li, Yunhong Wang, Dimitrios Sapalidis, Michal Ganobjak, Yanfang Wei, Joshua Yip, Bruno F. B. Silva, Anja K. Skrivervik, Wim J. Malfait, Shanyu Zhao   +14 more
wiley   +1 more source