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105. Cost-effective Network Disintegration through Targeted Enumeration

Author

Wang, Zhigang, Deng, Ye, Holme, Petter, Di, Zengru, Lv, Linyuan, and Wu, Jun

Subjects
Computer Science - Social and Information Networks, Physics - Physics and Society
Abstract

Finding an optimal subset of nodes or links to disintegrate harmful networks is a fundamental problem in network science, with potential applications to anti-terrorism, epidemic control, and many other fields of study. The challenge of the network disintegration problem is to balance the effectiveness and efficiency of strategies. In this paper, we propose a cost-effective targeted enumeration method for network disintegration. The proposed approach includes two stages: searching for candidate objects and identifying an optimal solution. In the first stage, we use rank aggregation to generate a comprehensive ranking of node importance, upon which we identify a small-scale candidate set of nodes to remove. In the second stage, we use an enumeration method to find an optimal combination among the candidate nodes. Extensive experimental results on synthetic and real-world networks demonstrate that the proposed method achieves a satisfying trade-off between effectiveness and efficiency. The introduced two-stage targeted enumeration framework can also be applied to other computationally intractable combinational optimization problems, from team assembly via portfolio investment to drug design., Comment: 9 pages, 5 figures

Published
2021

106. Best Practice for Therapeutic Drug Monitoring of Infliximab: Position Statement from the International Association of Therapeutic Drug Monitoring and Clinical Toxicology

Author

Alsoud, Dahham, Moes, Dirk Jan A. R., Wang, Zhigang, Soenen, Rani, Layegh, Zohra, Barclay, Murray, Mizuno, Tomoyuki, Minichmayr, Iris K., Keizer, Ron J., Wicha, Sebastian G., Wolbink, Gertjan, Lambert, Jo, Vermeire, Séverine, de Vries, Annick, Papamichael, Konstantinos, Padullés-Zamora, Núria, and Dreesen, Erwin

Published
2024
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107. Two co-existing and opposing mechanisms of proton transfer in one-dimensional open-end water chains.

Author

Yang, Xinrui, Yu, Famin, Wang, Lu, Liu, Rui, Xin, Yue, Li, Rui, Shi, Yulei, and Wang, Zhigang

Subjects
ION channels, PROTONS, IONS, FUEL cells, ELECTROSTATIC interaction
Abstract

The proton transport in one-dimensional (1D) confined water chains has been extensively studied as a model for ion channels in cell membrane and fuel cell. However, the mechanistic understanding of the proton transfer (PT) process in 1D water chains remains incomplete. In this study, we demonstrate that the two limiting structures of the hydrated excess proton, H5O2+ (Zundel) and H3O+ (linear H7O3+), undergo a change in dominance as the water chain grows, causing two co-existing and opposing PT mechanisms. Specifically, H5O2+ is stable in the middle of the chain, whereas H3O+ serves as a transition state (TS). Except for this region, H3O+ is stabilized while H5O2+ serves as a TS. The interaction analysis shows that the electrostatic interaction plays a crucial role in the difference in PT mechanisms. Our work fills a knowledge gap between the various PT mechanisms reported in bulk water and long 1D water chains, contributing to a deeper understanding of biological ion channels at the atomic level. [ABSTRACT FROM AUTHOR]

Published
2024
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