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Correction to: Mitigation strategies against cascading failures within a project activity network

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Journal of Computational Social science 2021年第1期5卷 1097-1098页

作者： Ellinas, Christos Nicolaides, Christos Masuda, Naoki Nodes and Links Ltd Cambridge UK Department of Business and Public Administration University of Cyprus Nicosia Cyprus Initiative on the Digital Economy Massachusetts Institute of Technology Cambridge USA Department of Mathematics State University of New York at Buffalo Buffalo USA Computational and Data-Enabled Science and Engineering Program State University of New York at Buffalo Buffalo USA Faculty of Management and Economics Dalian University of Technology Dalian China

Dynamical Inference from Polarized Light Curves of Sagittarius A*

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arXiv 2025年

作者： Ricarte, Angelo Conroy, Nicholas S. Wielgus, Maciek Palumbo, Daniel Emami, Razieh Chan, Chi-Kwan Black Hole Initiative at Harvard University 20 Garden Street CambridgeMA02138 United States Center for Astrophysics | Harvard & Smithsonian 60 Garden Street CambridgeMA02138 United States Department of Astronomy University of Illinois at Urbana-Champaign 1002 West Green Street UrbanaIL61801 United States Instituto de Astrofísica de Andalucía-CSIC Glorieta de la Astronomía s/n GranadaE-18008 Spain Steward Observatory Department of Astronomy University of Arizona 933 N. Cherry Avenue TucsonAZ85721 United States Data Science Institute University of Arizona 1230 N. Cherry Avenue TucsonAZ85721 United States Program in Applied Mathematics University of Arizona 617 N. Santa Rita TucsonAZ85721 United States

Polarimetric light curves of Sagittarius A∗ (Sgr A∗) sometimes exhibit loops in the Stokes Q and U plane over time, often interpreted as orbiting hotspot motion. In this work, we apply the differential geometry of planar curves to develop a new technique for estimating polarimetric rotation rates. Applying this technique to 230 GHz light curves of Sgr A∗, we find evidence of clockwise motion not only during a post-flare period on 2017 April 11th, as previously discovered, but also during the quiescent days imaged by the Event Horizon Telescope (EHT). The data exhibit a clockwise fraction of 0.67±0.09 and an overall Q − U rotation rate of −3.7 ± 1.2 deg t−g1. We analyze a library of General Relativistic Magnetohydrodynamic (GRMHD) simulations and find that face-on, clockwise-rotating models with strong magnetic fields are most likely to be consistent with the observations. These results are consistent with EHT and GRAVITY Collaboration studies, and indirectly support an interpretation in which the polarized image of Sgr A∗ has been rotated by an external Faraday screen. This technique offers a novel probe of event horizon scale dynamics that complements dynamical reconstructions. © 2025, CC BY.

关键词： Rotation rate

54341 Study Design and Recruitment into the North American Post-authorization Safety Study (PASS) to Monitor Pregnancy and Infant Outcomes Following Dupilumab Exposure During Pregnancy

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Journal of the American Academy of Dermatology 2024年第3期91卷 AB87-AB87页

作者： Johnson, Diana, MS Xu, Ronghui, PhD Luo, Yunjun, MS Jones, Kenneth Lyons, MD Chambers, Christina, PhD, MPH University of California San Diego Lead Teaching Division of Biostatistics and Bioinformatics Director Research Program of Quantitative Methods in Public Health Herbert Wertheim School of Public Health Department of Mathematics Halicioglu Data Science Institute Department of Pediatric Department of Pediatrics University of California San Diego La Jolla CA USA Department of Pediatrics University of California San Diego La Jolla CA USA

Topological data analysis of black hole images

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Physical Review D 2022年第2期106卷 023017-023017页

作者： Pierre Christian Chi-kwan Chan Anthony Hsu Feryal Özel Dimitrios Psaltis Iniyan Natarajan Physics Department Fairfield University 1073 N Benson Road Fairfield Connecticut 06824 USA Department of Astronomy University of Arizona 933 North Cherry Avenue Tucson Arizona 85721 USA Data Science Institute University of Arizona 1230 N. Cherry Avenue Tucson Arizona 85721 USA Program in Applied Mathematics University of Arizona 617 N. Santa Rita Tucson Arizona 85721 USA Department of Computer Science University of Arizona 1040 4th Street Tucson Arizona 85721 USA Wits Centre for Astrophysics University of the Witwatersrand 1 Jan Smuts Avenue Braamfontein Johannesburg 2050 South Africa South African Radio Astronomy Observatory Observatory 7925 Cape Town South Africa

Features such as photon rings, jets, or hot spots can leave particular topological signatures in a black hole image. As such, topological data analysis can be used to characterize images resulting from high-resolution observations (synthetic or real) of black holes in the electromagnetic sector. We demonstrate that persistent homology allows for this characterization to be made automatically by counting the number of connected components and one-dimensional holes. Further, persistent homology also allows for the distance between connected components or the diameter of holes to be extracted from the image. In order to apply persistent homology on synthetic black hole images, we also introduce metronization, a new algorithm to prepare black hole images in a form that is suitable for topological analysis.

关键词： Astronomical black holes

A growth model for water distribution networks with loops

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arXiv 2021年

作者： Sugishita, Kashin Abdel-Mottaleb, Noha Zhang, Qiong Masuda, Naoki Department of Mathematics State University of New York at Buffalo BuffaloNY14260-2900 United States Department of Transdisciplinary Science and Engineering Tokyo Institute of Technology Tokyo152-8550 Japan Department of Civil and Environmental Engineering University of South Florida TampaFL33620 United States Computational and Data-Enabled Science and Engineering Program State University of New York at Buffalo BuffaloNY14260-5030 United States Faculty of Science and Engineering Waseda University Tokyo169-8555 Japan

Water distribution networks (WDNs) expand their service areas over time. These growth dynamics are poorly understood. One facet of WDNs is that they have loops in general, and closing loops may be a functionally important process for enhancing their robustness and efficiency. We propose a growth model for WDNs which generates networks with loops and is applicable to networks with multiple water sources. We apply the proposed model to four empirical WDNs to show that it produces networks whose structure is similar to that of the empirical WDNs. The comparison between the empirical and modeled WDNs suggests that the empirical WDNs may realize a reasonable balance between cost, efficiency, and robustness in terms of the network structure. We also study the design of pipe diameters based on a biological positive feedback mechanism. Specifically, we apply a model inspired by Physarum polycephalum to find moderate positive correlations between the empirical and modeled pipe diameters. The difference between the empirical and modeled pipe diameters suggests that we may be able to improve the performance of WDNs by following organizing principles of biological flow networks. Copyright © 2021, The Authors. All rights reserved.

关键词： Water distribution systems

Prediction of carbon nanostructure mechanical properties and role of defects using machine learning

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arXiv 2021年

作者： Zhao, Qi Winetrout, Jordan J. Xu, Yanxun Wang, Yusu Heinz, Hendrik Halıcıoglu Data Science Institute University of California San Diego San diegoCA92093 United States Department of Chemical and Biological Engineering University of Colorado Boulder BoulderCO80309 United States Materials Science and Engineering Program University of Colorado Boulder BoulderCO80309 United States Department of Applied Mathematics and Statistics Johns Hopkins University BaltimoreMD21218 United States

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and implementation of atomic-scale engineering to harness the theoretical limits of modulus and tensile strength, of which only a fraction is routinely reached today. Here we demonstrate accurate and fast predictions of mechanical properties for CNTs and arbitrary 3D graphitic assemblies based on a training set of over 1000 stress-strain curves from cutting-edge reactive MD simulation and machine learning (ML). Several ML methods are compared and show that our newly proposed hierarchically structured graph neural networks with spatial information (HS-GNNs) achieve predictions in modulus and strength for any 3D nanostructure with only 5-10% error across a wide range of possible values. The reliability is sufficient for practical applications and a great improvement over off-the shelf ML methods with up to 50% deviation, as well as over earlier models for specific chemistry with 20% deviation. The algorithms allow more than 100 times faster mechanical property predictions than traditional molecular dynamics simulations, the identification of the role of defects and random 3D morphology, and high-throughput screening of 3D structures for enhanced mechanical properties. The algorithms can be scaled to morphologies up to 100 nm in size, expanded for chemically similar compounds, and trained to predict a broader range of properties. © 2021, CC BY.

关键词： Defects

The effect of organic acid hydrolysis on the properties of nanocellulose from edamame husk (Glycine max (L.) merill)

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Case Studies in Chemical and Environmental Engineering

Case Studies in Chemical and Environmental Engineering 2025年 11卷

作者： Wahyudi, Muhammad Sapto Holilah Bahruji, Hasliza Prasetyoko, Didik Asranudin Pratama, Agus Wedi Indriani, Dina Wahyu Suryanegara, Lisman Faradilla, RH Fitri Mahardika, Melbi Wardani, Ratih Kusuma Piluharto, Bambang Knight, Victor Feizal Norrrahim, Mohd Nor Faiz Research Center for Biomass and Bioproducts National Research and Innovation Agency of Indonesia (BRIN) Cibinong Indonesia Research Collaboration Center for Nanocellulose BRIN-Andalas University Padang Indonesia Study Program of Chemistry Faculty of Science and Technology UIN Sunan Kalijaga Yogyakarta Indonesia Centre of Advanced Material and Energy Sciences Universiti Brunei Darussalam Jl. Tungku Link BE 1410 Brunei Darussalam Department of Chemistry Faculty of Science and Data Analytics Institut Teknologi Sepuluh Nopember Surabaya Indonesia Research Center for Applied Microbiology National Research and Innovation Agency (BRIN) Cibinong Indonesia Department of Biosystem Engineering Faculty of Agricultural Technology Universitas Brawijaya Jalan Veteran Malang Indonesia Department of Food Science and Technology Faculty of Agriculture Universitas Halu Oleo Kendari Indonesia Academy Pharmacy of Surabaya Ketintang Gayungan Surabaya 60231 Indonesia Department of Chemistry Faculty of Mathematics and Natural Sciences University of Jember Jember Indonesia Research Center for Chemical Defence Defence Research Institute Universiti Pertahanan Nasional Malaysia Kem Sungai Besi Kuala Lumpur 57000 Malaysia

The increasing demand for sustainable materials has highlighted nanocellulose as a promising candidate due to its exceptional mechanical strength, thermal stability, and superior barrier properties. These attributes enable its application in diverse fields, including packaging, biomedical devices, and nanocomposites. This study investigates the valorization of edamame bean husks, a byproduct of the globally consumed legume snack, as a sustainable feedstock for nanocellulose production. Cellulose was extracted from the husks via delignification and bleaching, followed by a green and facile acid hydrolysis method employing organic acids (maleic acid, lactic acid, citric acid, and formic acid) to produce nanocellulose. The resulting nanocellulose exhibited a fibrillar morphology with particle sizes ranging from 7.59 to 17.51 nm, depending on the acid used. X-ray diffraction analysis revealed a crystallinity index ranging from 63.49 % to 67.24 %. Notably, acid hydrolysis significantly enhanced the thermal stability of the nanocellulose compared to both the raw husk and isolated cellulose. These findings demonstrate the potential of edamame agricultural waste as a valuable resource for sustainable and eco-friendly nanocellulose production, contributing to a circular bioeconomy. © 2025 The Authors

关键词： Characterization Edamame husk waste Green synthesis Nanocellulose Organic acids

The semi-hierarchical Dirichlet process and its application to clustering homogeneous distributions

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arXiv 2020年

作者： Beraha, Mario Guglielmi, Alessandra Quintana, Fernando A. Department of Mathematics Politecnico di Milano Italy Department of Computer Science Università di Bologna Italy Department of Statistics Pontificia Universidad Católica de Chile Chile ANID - Millennium Science Initiative Program Millennium Nucleus Center for the Discovery of Structures in Complex Data

Assessing homogeneity of distributions is an old problem that has received considerable attention, especially in the nonparametric Bayesian literature. To this effect, we propose the semi-hierarchical Dirichlet process, a novel hierarchical prior that extends the hierarchical Dirichlet process of Teh et al. (2006) and that avoids the degeneracy issues of nested processes recently described by Camerlenghi et al. (2019a). We go beyond the simple yes/no answer to the homogeneity question and embed the proposed prior in a random partition model;this procedure allows us to give a more comprehensive response to the above question and in fact find groups of populations that are internally homogeneous when I ≥ 2 such populations are considered. We study theoretical properties of the semi-hierarchical Dirichlet process and of the Bayes factor for the homogeneity test when I = 2. Extensive simulation studies and applications to educational data are also discussed. Copyright © 2020, The Authors. All rights reserved.

关键词： Statistics

Computational modeling of potential milciclib derivatives inhibitor-CDK2 binding through global docking and accelerated molecular dynamics simulations

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Informatics in Medicine Unlocked 2022年 33卷

作者： Khanam, Mushira Moin, Abu Tayab Ahmed, Kazi Ahsan Patil, Rajesh B. Ripon Khalipha, Abul Bashar Ahmed, Nafisa Bagchi, Rajat Ullah, Md Asad Ferdoush, Jannatul Islam, Saiful Rudra, Bashudev Department of Genetic Engineering and Biotechnology Faculty of Biological Sciences University of Chittagong Chattogram Bangladesh Department of Biochemistry and Molecular Biology Life Science Faculty Bangabandhu Sheikh Mujibur Rahman Science and Technology University Gopalganj Bangladesh Department of Biochemistry and Molecular Biology Faculty of Agriculture Bangladesh Agricultural University Mymensingh Bangladesh Biotechnology Program Department of Mathematics and Natural Sciences School of Data and Sciences BRAC University Dhaka Bangladesh Department of Pharmaceutical Chemistry Sinhgad Technical Education Society's Sinhgad College of Pharmacy Vadgaon (Bk) Maharashtra India Department of Pharmacy Life Science Faculty Bangabandhu Sheikh Mujibur Rahman Science and Technology University Gopalganj Bangladesh Department of Biotechnology and Genetic Engineering Faculty of Biological Sciences Jahangirnagar University Savar Dhaka Bangladesh Department of Pharmacology BGC Trust Medical College Chattogram Bangladesh Bangladesh Council of Scientific and Industrial Research (BCSIR) Chattogram Laboratories Chattogram Bangladesh

Hepatocellular carcinoma (HCC) is the most common malignant condition of the liver that occurs as a result of uncontrolled cellular proliferation after a series of disruptions at cell cycle regulatory checkpoints in the normal cell. Due to the lack of appropriate therapeutics or remedial treatment methods, new treatment strategies against HCC need to be developed. Cyclin dependent kinases (CDKs) are required to control the cell cycle and apoptosis, but their overexpressionis critical in the progression of cancer and is often expressed in HCC. Thus, CDKs are considered a promising class of target-defined therapy for HCC. Milciclib is a potential candidate for HCC which exhibits inhibitory activity against CDK2 leading to cell cycle arrest and apoptosis of tumor cells. Herein, we have halogenated the parent drug milciclib to improve its efficacy against CDK2. The primary structure of milciclib (D) was modified with F, Cl and,CF₃ groups. The frontier molecular orbital features, binding affinity, non-bonded interaction and the pharmacokinetic parameters were analyzed for milciclib and its derivatives. We also performed molecular docking and extended molecular dynamics simulation studies to study the binding interactions and binding affinity more closely. Our computational investigation showed the derivatives D-F and D-CF₃ have significant chemical reactivity, the best binding affinity, nonbonding interactions, and improved pharmacokinetic properties compared to the parent drug milciclib. Molecular dynamics analysis and MM-PBSA calculations indicated that D-Cl had a slightly more stable conformation and higher binding affinity compared to D-CF₃. © 2022 The Authors

关键词： Anticancer drug Halogenated derivatives Hepatocellular carcinoma Milciclib Molecular docking Molecular dynamics simulation Non-bond interactions