Emerging potentials of Fe‐based nanomaterials for chiral sensing and imaging

Nwaji, Njemuwa; Gwak, Juyong; Nguyen, My‐Chi; Nguyen, Huu‐Quang; Kang, Hyojin; Choi, Youngeun; Kim, Youngmi; Chen, Hongxia; Lee, Jaebeom

doi:10.1002/med.22003

Cited by 2 publications

(1 citation statement)

References 91 publications

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“…Quantum processes play a critical role in many natural systems such as light-harvesting and photosynthetic complexes [1][2][3][4], biological vision [5,6] and light sensing [7][8][9][10] systems as well as in artificial photocatalytic [11][12][13][14] and photovoltaic [15][16][17] materials, materials for quantum sensing applications [18][19][20], or qubits [21][22][23], to name a few. Quantum coherence facilitates efficient and directional excitation energy transfer in the light-harvesting complexes [24][25][26], coupled electron-proton transfer [27][28][29], quantum tunneling [30][31][32], is critical to biological systems [33], and nonradiative energy relaxation, which realizes mechanisms of protection from the photodamage [34][35][36][37][38].…”

Section: Introductionmentioning

confidence: 99%

Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene

Zhang,

Shao,

et al. 2024

J. Phys.: Condens. Matter

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In this work, we report the development and assessment of the nonadiabatic molecular dynamics approach with the electronic structure calculations based on the linearly scaling subsystem density functional method. The approach is implemented in an open-source embedded Quantum Espresso/Libra software specially designed for nonadiabatic dynamics simulations in extended systems. As proof of the applicability of this method to large condensed-matter systems, we examine the dynamics of nonradiative relaxation of excess excitation energy in pentacene crystals with the simulation supercells containing more than 600 atoms. We find that increased structural disorder observed in larger supercell models induces larger nonadiabatic couplings of electronic states and accelerates the relaxation dynamics of excited states. We conduct a comparative analysis of several quantum-classical trajectory surface hopping schemes, including two new methods proposed in this work (revised decoherence-induced surface hopping and instantaneous decoherence at frustrated hops). Most of the tested schemes suggest fast energy relaxation occurring with the timescales in the 0.7–2.0 ps range, but they significantly overestimate the ground state recovery rates. Only the modified simplified decay of mixing approach yields a notably slower relaxation timescales of 8–14 ps, with a significantly inhibited ground state recovery.

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Section: Introductionmentioning

confidence: 99%

Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene

Zhang,

Shao,

et al. 2024

J. Phys.: Condens. Matter

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Bacterial Programmed Cell Death Induced by Nanotherapeutic Strategies

Hu,

Shao,

Dong

et al. 2024

ACS Materials Lett.

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Programmed cell death (PCD) is crucial for cell renewal, embryogenesis, the immune response, tissue growth regulation, and other essential biological processes. Recent evidence underscores the potential of harnessing PCD to combat bacterial infections, particularly in eradicating antibiotic-resistant superbugs. Extensive efforts have been devoted to developing PCD-mediated anti-infective agents by drawing insights from materials science, chemistry, immunology, and microbiology. In this review, the challenges in addressing bacterial infections and the potential of PCD-based approaches to revolutionize treatment are first summarized and discussed. Then, a comprehensive examination of PCD-mediated nanoantibacterial therapy, encompassing various pathways, such as bacterial apoptosis, ferroptosis, cuproptosis, immunogenic cell death, NETosis, autophagy, and pyroptosis, is provided. Finally, the barriers and prospects of PCD-driven antimicrobial strategies are explored.

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Emerging potentials of Fe‐based nanomaterials for chiral sensing and imaging

Cited by 2 publications

References 91 publications

Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene

Nonadiabatic molecular dynamics with subsystem density functional theory: application to crystalline pentacene

Bacterial Programmed Cell Death Induced by Nanotherapeutic Strategies

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