Results 81 to 90 of about 77,685 (270)
MetalCenter‐Dependent Selectivity Divergence in MN4 Single‐Atom Catalysts for Aerobic HMF Oxidation
Advanced Science, EarlyView.Two single‐atom catalysts with M‐N4 configurations (FeN4 and CoN4) were developed for selective HMF oxidation. FeN4 achieves 93.9% selectivity toward FFCA via superoxide anions (O2•−), while CoN4 preferentially produces FDCA through hydroxyl radicals (•OH). DFT calculations reveal that distinct adsorption energies and charge redistribution at the metal
Haoyu Wang +6 more
wiley +1 more source
Discussiones Mathematicae Graph Theory, 2020 Let S = (a1,. . . , am; b1, . . . , bn), where a1, . . . , am and b1, . . . , bn are two sequences of nonnegative integers. We say that S is a bigraphic pair if there exists a simple bipartite graph G with partite sets {x1, x2, . . . , xm} and {y1, y2, .
Yin Jian-Hua, Li Sha-Sha
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On Hamiltonian Paths and Cycles in Sufficiently Large Distance Graphs [PDF]
Discrete Mathematics & Theoretical Computer Science, 2014 Graph ...
Christian Löwenstein +2 more
doaj +1 more source
Advanced Science, EarlyView.We developed a RhPd‐H nanozyme that integrates enhanced POD‐mimetic catalytic activity with thermally triggered H2 release. H2 shields and reprograms mitochondria to continuously leak endogenous ·O2−. This dual‐path ROS spatially and temporally disrupts redox homeostasis, inducing persistent oxidative stress for tumor suppression and antitumor immunity,
Mingfan Shi +12 more
wiley +1 more source
On Hamiltonian alternating cycles and paths
Computational Geometry, 2018 We undertake a study on computing Hamiltonian alternating cycles and paths on bicolored point sets. This has been an intensively studied problem, not always with a solution, when the paths and cycles are also required to be plane. In this paper, we relax the constraint on the cycles and paths from being plane to being 1-plane, and deal with the same ...
Mercè Claverol +4 more
openaire +8 more sources
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 +5 more
wiley +1 more source
Hamiltonian cycles in I–graphs
Electronic Notes in Discrete Mathematics, 2013 Abstract The I–graphs generalize the family of generalized Petersen graphs. We show that a connected I–graph which is not a generalized Petersen graph is Hamiltonian.
BONVICINI, Simona, Pisanski, Tomaž
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Advanced Science, EarlyView.How can Sn‐based anodes achieve high capacity and long‐life cycling? This work unlocks the potential anode structure by confining Sn in the A layer of MAX phase with Ti6C octahedra as outer immobilization and Fe as inner anchors. The introduction of Fe dramatically strengthens the Ti–Sn bond to enhance structural integrity, modulate interfacial ...
Yu‐ang Lei +13 more
wiley +1 more source
Advanced Science, EarlyView.A multifunctional terahertz (THz) platform is demonstrated, in a model material Fe4Nb2O9, exhibiting a large intrinsic THz phase shift alongside distinct THz magnon excitations in its antiferromagnetic phase. This coexistence of phase modulation and spin dynamics offers a promising pathway toward integrated THz communication and magnonic computation ...
Brijesh Singh Mehra +10 more
wiley +1 more source