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IEEE International Symposium on Geoscience and Remote Sensing (IGARSS)

作者： Wenzhao Li Shahryar Fazli Surendra Maharjan Hesham El-Askary Earth Systems Science and Data Solutions Lab Schmid College of Science and Technology Chapman University Orange CA USA Computational and Data Sciences Graduate Program Schmid College of Science and Technology Chapman University Orange CA USA Department of Environmental Sciences Faculty of Science Alexandria University Alexandria Egypt

ISBN: (数字)9798350360325

ISBN: (纸本)9798350360332

This study evaluates the potential application of hyperspectral Earth Surface Mineral Dust Source Investigation (EMIT) remote sensing for monitoring harmful algal blooms (HABs) and water quality in Clear Lake, California. The research focuses on correlating the chlorophyll-a (Chl-a) concentrations with EMIT spectral signatures, using waterbody-wide statistical analysis of Chl-a and EMIT data sampling at various lake locations. Results demonstrate distinct spectral signatures associated with varying Chl-a levels, highlighting the potential of hyperspectral imaging in differentiating algae levels and assessing water quality variables. It also indicates the EMIT’s utility in filling data gaps and offering high-resolution monitoring. This study underscores the need for further research in hyperspectral imaging for aquatic ecosystems, especially under challenging atmospheric conditions, enhancing our understanding of water quality dynamics.

关键词： Satellites Statistical analysis Algae Water quality Lakes Filling Minerals

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Discovery of a novel class NSD2 inhibitor for multiple myeloma with t(4;14) +

Blood Neoplasia

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Blood Neoplasia 2025年第2期2卷 100091-100091页

作者： Sae Matsuoka Naoki Osada Hirokazu Kubota Ko Kikuzato Hiroo Koyama Takeshi Sonoda Akiko Idei Minoru Yoshida Masaki Kikuchi Takashi Umehara Chiduru Watanabe Teruki Honma Hiroshi Yasui Sho Ikeda Naoto Takahashi Hideki Nakasone Jiro Kikuchi Yusuke Furukawa Division of Emerging Medicine for Integrated Therapeutics Center for Molecular Medicine Jichi Medical University Shimotsuke Japan Drug Discovery Chemistry Platform Unit RIKEN Center for Sustainable Resource Science Wako Japan Drug Discovery Seed Compounds Exploratory Unit RIKEN Center for Sustainable Resource Science Wako Japan Office of University Professors The University of Tokyo Tokyo Japan Laboratory for Epigenetics Drug Discovery RIKEN Center for Biosystems Dynamics Research Yokohama Japan Drug Discovery Computational Chemistry Platform Unit RIKEN Center for Biosystems Dynamics Research Yokohama Japan Institute of Medical Science The University of Tokyo Tokyo Japan Department of Hematology and Oncology St. Marianna University School of Medicine Kawasaki Japan Department of Hematology Nephrology and Rheumatology Akita University Graduate School of Medicine Akita Japan Center for Medical Education Teikyo University of Science Tokyo Japan Drug Discovery Cooperation Division RIKEN Program for Drug Discovery and Medical Technology Platform Yokohama Japan

Abstract The prognosis for multiple myeloma (MM) has continued to improve with the development of a series of novel molecular targeted drugs over time. However, the prognosis remains poor for cases with high-risk chromosomal abnormalities. Of such abnormalities, t(4;14) is the second most common, occurring in 15% of patients with MM. MM cells carrying t(4;14) strongly express histone methyltransferase with a SET domain, called NSD2, making them resistant to drugs against MM. Therefore, NSD2 is a promising therapeutic target for MM carrying t(4;14). Subsequently, we performed high-throughput screening and identified RK-0080552 (RK-552) as a novel class NSD2 inhibitor. RK-552 was significantly cytotoxic against t(4;14) + MM compared with t(4;14) - MM cells in vitro and in vivo via transcriptional suppression of the IRF4 gene, coincided with a decrease in histone H3 lysine 36 dimethylation. Moreover, RK-552 acted additively with pomalidomide in vitro and prolonged the survival of recipient mice without side effects. These results suggest that RK-552 may be a clinically relevant NSD2 inhibitor with specific cytotoxicity to MM cells carrying t(4;14). Our study also provides a molecular basis and rationale for the inclusion in current treatment strategies. Therefore, the clinical use of RK-552 may significantly improve the treatment outcome of MM with t(4;14).

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Forecasting Vegetation Health in the MENA Region by Predicting Vegetation Indicators with Machine Learning Models

Forecasting Vegetation Health in the MENA Region by Predicti...

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IEEE International Symposium on Geoscience and Remote Sensing (IGARSS)

作者： Sachi Perera Wenzhao Li Erik Linstead Hesham El-Askary Computational and Data Sciences Graduate Program Schmid College of Science and Technology Chapman University Orange CA USA Schmid College of Science and Technology Chapman University Orange CA USA Fowler School of Engineering Chapman University Orange CA USA Faculty of Science Alexandria University Alexandria Egypt

ISBN: (数字)9781728163741

ISBN: (纸本)9781728163758

Machine learning (ML) techniques can be applied to predict and monitor drought conditions due to climate change. Predicting future vegetation health indicators (such as EVI, NDVI, and LAI) is one approach to forecast drought events for hotspots (e.g. Middle East and North Africa (MENA) regions). Recently, ML models were implemented to predict EVI values using parameters such as land types, time series, historical vegetation indices, land surface temperature, soil moisture, evapotranspiration etc. In this work, we collected the MODIS atmospherically corrected surface spectral reflectance imagery with multiple vegetation related indices for modeling and evaluation of drought conditions in the MENA region. These models are built by a total of 4556 and 519 normalized samples for training and testing purposes, respectively and with 51820 samples used for model evaluation. Models such as multilinear regression, penalized regression models, support vector regression (SVR), neural network, instance-based learning K-nearest neighbor (KNN) and partial least squares were implemented to predict future values of EVI. The models show effective performance in predicting EVI values (R 2 > 0.95) in the testing and (R 2 > 0.93) in the evaluation process.

关键词： Vegetation mapping MODIS Atmospheric modeling Remote sensing Predictive models Training Support vector machines

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Deep learning inter-atomic potential for thermal and phonon behaviour of silicon carbide with quantum accuracy

arXiv

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arXiv 2021年

作者： Fu, Baoqin Sun, Yandong Zhang, Linfeng Wang, Han Xu, Ben Key Laboratory of Radiation Physics and Technology of the Ministry of Education Institute of Nuclear Science and Technology Sichuan University Chengdu610064 China Graduate School China Academy of Engineering Physics Beijing100193 China Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing100088 China

Silicon carbide (SiC) is an essential material for next generation semiconductors and components for nuclear plants. It’s applications are strongly dependent on its thermal conductivity, which is highly sensitive to microstructures. Molecular dynamics (MD) simulation is the most used methods to address thermal transportation mechanisms in devices or microstructures of nano-meters. However, the implementation of MD is limited in SiC because of lacking accurate inter-atomic potentials. In this work, using the Deep Potential (DP) methodology, we developed two inter-atomic potentials (DP-*Corresponding author. IAPs) for SiC based on two adaptively generated datasets within the density functional approximations at the local density and the generalized gradient levels. These two DP-IAPs manifest their speed with quantum accuracy in lattice dynamics simulations as well as scattering rate analysis of phonon transportation. Combining with molecular dynamics simulations, the thermal transport and mechanical properties were systematically investigated. The presented methodology and the inter-atomic potentials pave the way for a systematic approach to model heat transport in SiC related devices using multiscale modelling. Copyright © 2021, The Authors. All rights reserved.

关键词： Silicon carbide

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Assessing Rice Phenological Features with Hyperspectral Imaging Insights from Earth Surface Mineral Dust Source Investigation (EMIT)

Assessing Rice Phenological Features with Hyperspectral Imag...

引用

IEEE International Symposium on Geoscience and Remote Sensing (IGARSS)

作者： Shahryar Fazli Wenzhao Li Surendra Maharjan Hesham El Askary Computational and Data Sciences Graduate Program Schmid College of Science and Technology Chapman University Orange CA USA Earth Systems Science and Data Solutions Lab Chapman University Orange CA USA Department of Environmental Sciences Faculty of Science Alexandria University Alexandria Egypt

ISBN: (数字)9798350360325

ISBN: (纸本)9798350360332

In California's Central Valley, water management and crop health, particularly in rice cultivation, are critical. This paper details the application of Earth surface Mineral dust source InvesTigation (EMIT) hyperspectral imaging, specifically employing Spectral Correlation Mapper (SCM) and Spectral Information Divergence (SID), for precise phenological analysis. By aligning EMIT data with Hyperion satellite references, we address spectral and geographical discrepancies. Our methodology includes seasonal sampling of spectral curves to capture the phenological stages of rice. Results show a strong correlation (R 2 = 0.86) between August EMIT and Reference dataset, emphasizing EMIT's utility in enhancing agricultural practices and water efficiency in the region, and highlighting the importance of understanding rice phenology for sustainable farming.

关键词： Earth Correlation Satellites Accuracy Uncertainty Phenology Minerals

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A simulator for underwater unmanned vehicles and cable-like flexible structures

A simulator for underwater unmanned vehicles and cable-like ...

引用

OCEANS

作者： Marcos Vinicius Scholl Sebastião C. P. Gomes Carlos Rodrigues Rocha Graduate Program in Computational Modeling Federal University of Rio Grande - FURG Rio Grande-RS Brazil Federal Institute of Education Science and Technology of Rio Grande do Sul Rio Grande Campus Rio Grande-RS Brazil

A graphical tool to qualitative analysis of underwater unmanned vehicles and cable-like flexible structures is presented. The software provides a realistic virtual environment where the dynamic behavior of different u... 详细信息

ISBN: (纸本)9781509064298;9780692946909

关键词： Vehicle dynamics Underwater cables Dynamics Mathematical model Software Unmanned vehicles Numerical simulation

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Biclustering Method to Capture the Spatial Pattern and to Identify the Causes of Social Vulnerability in Indonesia: A New Recommendation for Disaster Mitigation Policy

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Procedia Computer science 2019年 157卷 31-37页

作者： Puspita Anggraini Kaban Robert Kurniawan Rezzy Eko Caraka Bens Pardamean Budi Yuniarto Sukim Computational Statistics Department Polytechnic of Statistics - STIS Jakarta 13330 Indonesia Bioinformatics and Data Science Research Center Bina Nusantara University Indonesia College of Informatics Chaoyang University of Technology Taichung City 41349 Taiwan (R.O.C.) Computer Science Department BINUS Graduate Program Master of Computer Science Bina Nusantara University Jakarta Indonesia 11480

Geographically, Indonesia is a meeting point of three continental plates. Scilicet, the Eurasian Plate, the Indo-Australian Plate, and the Pacific Plate. Therefore, Indonesia is part of the infamous volcanic zone called the ”Ring of Fire” and one of the areas prone to natural disasters such as volcanic eruptions, earthquakes, tsunamis, floods, and landslides. This study aims to capture the spatial pattern and identify the causes of social vulnerability in the districts/cities in Indonesia using the biclustering method. The data is extracted from the Indonesian National Socio-Economic Survey (SUSENAS) by BPS-Statistics in 2014. The biclustering result indicates that each district/city has its own social vulnerability characteristics and shows that the vulnerable aspects of each district/city are different. The adjacent observations tend to have social vulenrability characteristics. The results of this study can be used as a reference for national disaster mitigation policy in Indonesia.

关键词： biclustering disaster mitigation social vulnerability SoVI spatial pattern

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Homogenisation for the monodomain model in the presence of microscopic fibrotic structures

arXiv

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arXiv 2020年

作者： Lawson, Brodie A.J. dos Santos, Rodrigo Weber Turner, Ian W. Bueno-Orovio, Alfonso Burrage, Pamela Burrage, Kevin Centre for Data Science Queensland University of Technology QLD Australia ARC Centre of Excellence for Mathematical and Statistical Frontiers Queensland University of Technology QLD Australia Graduate Program on Computational Modeling Universidade de Juiz de Fora Minas Gerais Brazil Department of Computer Science University of Oxford Oxfordshire United Kingdom

MSC Codes 35B27computational models in cardiac electrophysiology are notorious for long runtimes, restricting the numbers of nodes and mesh elements in the numerical discretisations used for their solution. This makes it particularly challenging to incorporate structural heterogeneities on small spatial scales, preventing a full understanding of the critical arrhythmogenic effects of conditions such as cardiac fibrosis. In this work, we explore the technique of homogenisation by volume averaging for the inclusion of non-conductive micro-structures into larger-scale cardiac meshes with minor computational overhead. Importantly, our approach is not restricted to periodic patterns, enabling homogenised models to represent, for example, the intricate patterns of collagen deposition present in different types of fibrosis. We first highlight the importance of appropriate boundary condition choice for the closure problems that define the parameters of homogenised models. Then, we demonstrate the technique’s ability to correctly upscale the effects of fibrotic patterns with a spatial resolution of 10 µm into much larger numerical mesh sizes of 100-250 µm. The homogenised models using these coarser meshes correctly predict critical pro-arrhythmic effects of fibrosis, including slowed conduction, source/sink mismatch, and stabilisation of re-entrant activation patterns. As such, this approach to homogenisation represents a significant step towards whole organ simulations that unravel the effects of microscopic cardiac tissue heterogeneities. © 2020, CC BY.

关键词： Heart

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Hybrid virtual screening identifies dipyrazole carboxamide derivatives as novel direct InhA inhibitors with antitubercular activity

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Biochimica et Biophysica Acta (BBA) - General Subjects 2025年第8期1869卷

作者： Auradee Punkvang Bongkochawan Pakamwong Naruedon Phusi Paptawan Thongdee Kampanart Chayajarus Jidapa Sangswan Kanjana Pangjit Khomson Suttisintong Jiraporn Leanpolchareanchai Poonpilas Hongmanee Pitak Santanirand James Spencer Adrian J. Mulholland Sanya Sureram Prasat Kittakoop Pornpan Pungpo Division of Chemistry Faculty of Science Nakhon Phanom University Nakhon Phanom 48000 Thailand Department of Chemistry and Center of Excellence for Innovation in Chemistry Faculty of Science Ubon Ratchathani University Ubon Ratchathani 34190 Thailand Department of Biological Science Faculty of Science Ubon Ratchathani University Ubon Ratchathani 34190 Thailand College of Medicine and Public Health Ubon Ratchathani University Ubon Ratchathani 34190 Thailand National Nanotechnology Center National Science and Technology Development Agency (NSTDA) 111 Thailand Science Park Klong Luang Pathum Thani 12120 Thailand Department of Pharmacy Faculty of Pharmacy Mahidol University Bangkok 10400 Thailand Division of Clinical Microbiology Department of Pathology Faculty of Medicine Ramathibodi Hospital Mahidol University Bangkok 10400 Thailand School of Cellular and Molecular Medicine Biomedical Sciences Building University of Bristol Bristol BS8 1TD United Kingdom Centre for Computational Chemistry School of Chemistry University of Bristol Bristol BS8 1TS United Kingdom Chulabhorn Research Institute Laksi Bangkok 10210 Thailand Chulabhorn Graduate Institute Program in Chemical Sciences Bangkok 10210 Thailand Center of Excellence on Environmental Health and Toxicology (EHT) OPS Ministry of Higher Education Science Research and Innovation Bangkok 10210 Thailand

Direct inhibitors of M. tuberculosis enoyl-acyl carrier protein reductase ( M. tuberculosis InhA) remain effective against variants with mutations associated with isoniazid resistance. In our previous study, structure-based virtual screening was employed to discover such inhibitors. However, most identified hits exhibited limited antimycobacterial activity, with minimum inhibitory concentration (MIC) values of >100 μg/mL. To address this challenge, we refined our virtual screening strategy by integrating ligand- and structure-based virtual screening approaches. The efficacy of this hybrid virtual screening approach was validated through biological assays measuring MIC and half-maximal inhibitory concentration (IC 50 ) for the inhibition of M. tuberculosis growth and InhA activity, respectively. Among 14 identified hits, compounds 3 and 10 , classified as dipyrazole carboxamide derivatives, were validated as promising lead candidates, with MIC values of 25 and 50 μg/mL and IC 50 values of 10.60 ± 0.56 and 5.08 ± 0.30 μM, respectively. The relatively low hit-to‑lead conversion rate (14 %) is ascribed to our observation that nine of the identified hits, including compounds 3 and 10 , showed some level of precipitation in the MIC assay medium. Molecular dynamics simulations show that the dipyrazole carboxamide moiety in compounds 3 and 10 forms essential hydrogen bonds with nicotinamide adenine dinucleotide (oxidized form) (NAD + ) in the InhA binding pocket. Notably, both compounds 3 and 10 exhibit favorable safety profiles, with no toxicity observed in Caco-2 cells at concentrations up to 100 μg/mL. Consequently, we believe that these compounds present promising starting points for further lead optimization and development of novel antitubercular agents.

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The Fisher Geometry and Geodesics of the Multivariate Normals, without Differential Geometry

arXiv

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arXiv 2023年

作者： Lawson, Brodie A.J. Burrage, Kevin Mengersen, Kerrie Santos, Rodrigo Weber dos Centre for Data Science Queensland University of Technology Australia School of Mathematical Sciences Queensland University of Technology Australia ARC Centre of Excellence for Plant Success in Nature and Agriculture Australia Department of Computer Science University of Oxford United Kingdom Graduate Program in Computational Modeling Universidade Federal de Juiz de Fora Brazil

Choosing the Fisher information as the metric tensor for a Riemannian manifold provides a powerful yet fundamental way to understand statistical distribution families. Distances along this manifold become a compelling measure of statistical distance, and paths of shorter distance improve sampling techniques that leverage a sequence of distributions in their operation. Unfortunately, even for a distribution as generally tractable as the multivariate normal distribution, this information geometry proves unwieldy enough that closed-form solutions for shortest-distance paths or their lengths remain unavailable outside of limited special cases. In this review we present for general statisticians the most practical aspects of the Fisher geometry for this fundamental distribution family. Rather than a differential geometric treatment, we use an intuitive understanding of the covariance-induced curvature of this manifold to unify the special cases with known closed-form solution and review approximate solutions for the general case. We also use the multivariate normal information geometry to better understand the paths or distances commonly used in statistics (annealing, Wasserstein). Given the unavailability of a general solution, we also discuss the methods used for numerically obtaining geodesics in the space of multivariate normals, identifying remaining challenges and suggesting methodological *** Codes 62B11 (primary), 62-02, 62-08 (secondary) © 2023, CC BY.

关键词： Geometry

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