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Estimation of the main air pollutants from different biomasses under combustion atmospheres by artificial neural networks

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Chemosphere 2024年 352卷 141484页

作者： Monteiro, Thalyssa Oliveira Alves, Pedro Augusto Araújo da Silva de Almeida Nava Barradas Filho, Alex Oliveira Villa-Vélez, Harvey Alexander Cruz, Glauber Postgraduate Program in Mechanical Engineering (PPGMEC) Department of Mechanics and Materials Federal Institute of Education Science and Technology of Maranhão (IFMA) Maranhão São Luís Brazil Postgraduate Program in Computer Science and Computational Mathematics (PPG-CCMC) Department of Computer Science University of São Paulo (USP) São Carlos São Paulo Brazil Data Analysis and Artificial Intelligence Laboratory (DARTi) Department of Computational Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Department of Chemical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Processes and Thermal Systems Laboratory (LPSisTer) Department of Mechanical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO2, NOx, SOx, and other pollutants), affecting living organisms and requiring careful assessments. H... 详细信息

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO₂, NO_x, SO_x, and other pollutants), affecting living organisms and requiring careful assessments. However, obtaining such information experimentally for data evaluation is costly and time-consuming and its in situ obtaining for regional biomasses (e.g., those from Northeast Brazil (NEB) is still a major challenge. This paper reports on the application of artificial neural networks (ANNs) for the prediction of the main air pollutants (CO, CO₂, NO, and SO₂) produced during the direct biomass combustion (N₂/O₂:80/20%) with the use of ultimate analysis (carbon, hydrogen, nitrogen, sulfur, and oxygen). 116 worldwide biomasses were used as input data, which is a relevant alternative to overcome the lack of experimental resources in NEB and obtain such information. Cross-validation was conducted with k-fold to optimize the ANNs and performance was analyzed with the use of statistical errors for accuracy assessments. The results showed an acceptable statistical performance for all architectures of ANNs, with 0.001–12.41% MAPE, 0.001–5.82 mg Nm⁻³ MAE, and 0.03–52.30 mg Nm⁻³ RMSE, highlighting the high precision of the emissions studied. On average, the differences between predicted and real values for CO, CO₂, NO, and SO₂ emissions from NEB biomasses were approximately 0.01%, 10⁻⁶%, 0.14%, and 0.05%, respectively. Pearson coefficient provided consistent results of concentration of the ultimate analysis in relation to the emissions studied and effectiveness of the test set in the developed models. © 2024 Elsevier Ltd

关键词： Brazilian northeastern Environmental statistics Evaluation metrics Gaseous emissions Predictive models Thermoconversion

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A Guide to Tracking Phylogenies in Parallel and Distributed Agent-based Evolution Models

arXiv

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arXiv 2024年

作者： Moreno, Matthew Andres Ranjan, Anika Dolson, Emily Zaman, Luis Department of Ecology and Evolutionary Biology University of Michigan Ann Arbor United States Center for the Study of Complex Systems University of Michigan Ann Arbor United States Michigan Institute for Data and AI in Society University of Michigan Ann Arbor United States Undergraduate Research Opportunities Program University of Michigan Ann Arbor United States Department of Computer Science and Engineering Michigan State University East Lansing United States Program in Ecology Evolution and Behavior Michigan State University East Lansing United States

computer simulations are an important tool for studying the mechanics of biological evolution. In particular, in silico work with agent-based models provides an opportunity to collect high-quality records of ancestry relationships among simulated agents. Such phylogenies can provide insight into evolutionary dynamics within these simulations. Existing work generally tracks lineages directly, yielding an exact phylogenetic record of evolutionary history. However, direct tracking can be inefficient for large-scale, many-processor evolutionary simulations. An alternate approach to extracting phylogenetic information from simulation that scales more favorably is post hoc estimation, akin to how bioinformaticians build phylogenies by assessing genetic similarities between organisms. Recently introduced "hereditary stratigraphy" algorithms provide means for efficient inference of phylogenetic history from non-coding annotations on simulated organisms' genomes. A number of options exist in configuring hereditary stratigraphy methodology, but no work has yet tested how they impact reconstruction quality. To address this question, we surveyed reconstruction accuracy under alternate configurations across a matrix of evolutionary conditions varying in selection pressure, spatial structure, and ecological dynamics. We synthesize results from these experiments to suggest a prescriptive system of best practices for work with hereditary stratigraphy, ultimately guiding researchers in choosing appropriate instrumentation for large-scale simulation studies. Copyright © 2024, The Authors. All rights reserved.

关键词： Biotic

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TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs

arXiv

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arXiv 2022年

作者： Li, Alex J. Sundar, Vikram Grigoryan, Gevorg Keating, Amy E. Department of Chemistry Massachusetts Institute of Technology United States Computational and Systems Biology Program Massachusetts Institute of Technology United States Department of Computer Science Dartmouth College United States Departments of Biology and Biological Engineering Massachusetts Institute of Technology United States

Computational protein design has the potential to deliver novel molecular structures, binders, and catalysts for myriad applications. Recent neural graph-based models that use backbone coordinate-derived features show exceptional performance on native sequence recovery tasks and are promising frameworks for design. A statistical framework for modeling protein sequence landscapes using Tertiary Motifs (TERMs), compact units of recurring structure in proteins, has also demonstrated good performance on protein design tasks. In this work, we investigate the use of TERM-derived data as features in neural protein design frameworks. Our graph-based architecture, TERMinator, incorporates TERM-based and coordinate-based information and outputs a Potts model over sequence space. TERMinator outperforms state-of-the-art models on native sequence recovery tasks, suggesting that utilizing TERM-based and coordinate-based features together is beneficial for protein design. © 2022, CC BY.

关键词： Potts model

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Crowdsourcing Urban Narratives for a Post-Pandemic World

Crowdsourcing Urban Narratives for a Post-Pandemic World

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International Conference on computer Supported Cooperative Work in Design

作者： Ramon Chaves Daniel Schneider Claudia Motta António Correia Hugo Paredes Bárbara Caetano Jano Moreira de Souza Postgraduate Program in Informatics PPGI/UFRJ Rio de Janeiro Brazil Tércio Pacitti Institute of Computer Applications and Research (NCE) Federal University of Rio de Janeiro Brazil INESC TEC and University of Trás-os-Montes e Alto Douro UTAD Vila Real Portugal Systems Engineering and Computer Science Program (PESC/COPPE/UFRJ) Rio de Janeiro Brazil

ISBN: (纸本)9781728165974;9781728165981

Over the past decades, the use of digital technologies to support participatory urban planning and design has been repeatedly described as a crucial instrument and critical building block for tackling historical problems of participation in such processes. Social media, e-participation platforms, and crowdsourcing applications are examples of technologies that can involve citizens in decision-making processes and thus leverage the benefits of collective intelligence. However, despite the extensive use of social media platforms, old problems related to engagement and participation still occur in digital initiatives. Successful collaboration examples between citizens, policymakers, and strategic stakeholders are still scarce based on online social practices. This study aims to introduce a collective intelligence model, which combines crowdsourcing and social storytelling to support participatory urban planning and design from a bottom-up perspective. The paper concludes by discussing a scenario where citizens can engage in mapping, taking photos, sending ideas, or even creating collective stories about their university issues in a post-pandemic future.

关键词： Crowdsourcing Social networking (online) Smart cities Instruments Urban planning Collective intelligence Tools

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Mechanistic Modeling of copper Corrosions in Datacenter Environments

SSRN

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SSRN 2023年

作者： Zhang, Rui Zhang, Jianshun Schmidt, Roger Gilbert, Jeremy L. Department of Mechanical and Aerospace Engineering College of Engineering and Computer Science Syracuse University 263 Link Hall SyracuseNY13244 United States Buildings and Transportation Science Division Oak Ridge National Laboratory Oak RidgeTN37830 United States SyracuseCoE New York Center of Excellence in Environmental and Energy Systems Syracuse University 727 E. Washington Street SyracuseNY13244 United States Department of Mechanical and Aerospace Engineering College of Engineering and Computer Science Syracuse University 212 Link Hall SyracuseNY13244 United States Department of Bioengineering Clemson University Clemson United States Medical University of South Carolina Bioengineering Program CharlestonSC29425 United States

To evaluate the reliability of information technology equipment under various thermal and air-pollution conditions, a mechanistic model based on multi-ion transport and chemical reactions was developed. The model was used to predict Cu corrosion caused by Cl2-containing pollutant mixtures. It also accounted for the effects of temperature (25°C and 28°C), relative humidity (50%, 75%, and 95%), and synergism. It also identified higher air temperature as a corrosion barrier and higher relative humidity as a corrosion accelerator, which agreed well with the experimental results. The average root mean square error of the prediction was 13.7 Å. © 2023, The Authors. All rights reserved.

关键词： copper corrosion

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Empowering Collective Impact: Introducing SWAP for Resource Sharing

SSRN

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SSRN 2023年

作者： Huang, Weixiao Deshusses, Elise J. Pazour, Jennifer Telliel, Yunus Trapp, Andrew C. Data Science Program Worcester Polytechnic Institute 100 Institute Road WorcesterMA United States Computer Science Program Worcester Polytechnic Institute 100 Institute Road WorcesterMA United States School of Arts and Sciences Worcester Polytechnic Institute 100 Institute Road WorcesterMA United States School of Business Worcester Polytechnic Institute 100 Institute Road WorcesterMA United States Industrial and Systems Engineering Rensselaer Polytechnic Institute 110 Eighth Street TroyNY United States

Nonprofit organizations (NPOs) lack resources, hindering the quality and quantity of service they can deliver. Meanwhile, NPOs at times have underutilized or even spare resources due to the inability to scale expertise in staffing and tangible resources to meet temporally shifting service demands. These observations motivate us to propose a novel resource sharing system, SWAP, which to the best of our knowledge, is the first resource sharing system that facilitates resource exchanges where NPOs can obtain resources by offering their own. SWAP consists of four elements: a collaborative auction-based sharing process, complete with an offering mechanism, a bidding mechanism, and the virtual currency, SWAPcredit, to facilitate liquidity in exchange;a central technology that represents the award determination problem with a multilateral exchange optimization model, generating optimal resource exchange outcomes;an online platform, the SWAP Hub, where NPOs can offer and bid on available resources, and receive exchange results;and human-centric co-design, shaping the understanding and design decisions of a research collective, that includes the authors and NPO professionals. We conduct a series of experiments using both empirical and simulated data to illustrate the benefits and potential of SWAP. Our results demonstrate that SWAP can address temporal resource needs in practice;show that optimal exchange outcomes can be generated even for large-scale SWAP markets;and provide strong evidence in support of guidance to inform the progression for future versions of SWAP. The SWAP system is presently implemented in Howard County, Maryland, USA, with ongoing enhancements and strong potential for future expansion. © 2023, The Authors. All rights reserved.

关键词： Integer programming

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Exploring ERP User Behaviour in Developing Countries: Integrating Self-efficacy and UTAUT Perspectives

Exploring ERP User Behaviour in Developing Countries: Integr...

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Advancement in Data science, E-learning and Information systems (ICADEIS), International Conference on

作者： Dedy Syamsuar Muhammad Angga Oktaharisetia Deden Witarsyah Ahmad Luthfi Peter Dell Yudistira Sira Permana Darius Antoni Information Systems Department School of Information Systems Bina Nusantara University Indonesia Program Pasca Sarjana Universitas Bina Darma Palembang Indonesia School of Industrial Engineering Telkom University Bandung Indonesia Department of Informatics Faculty of Industrial Technology Islamic University of Indonesia School of Management and Marketing Faculty of Business and Law Curtin University Australia Teknik Informatika Politeknik Sekayu Sekayu Indonesia Faculty of Computer Science Universitas Indo Global Mandiri Palembang Indonesia

ERP stands for enterprise resource planning. It is an information system that is all rolled into one, is very flexible and adaptable, and optimizes business operations while also centralizing all of the company's data. This study aims to empirically investigate the elements that affect users' intention and usage of enterprise resource planning (ERP). This research incorporates self-efficacy into the unified theory of acceptance and use of technology (UTAUT2). A quantitative technique was taken, and as a result, 143 replies that might be used were effectively collected. After that, the information was put through a structural equation modelling partial least square (SEM-PLS) analysis. According to the findings of this research, self-efficacy appears to have a significant influence on all endogenous variables (EE, BI, and UB), as indicated by t-values of 3.951, 7.573, and 5.492, respectively. In addition, the analysis also indicated that PE (4.317), EE (2.397), and HM (3.084) are likewise statistically and substantively significant to BI. The result shows that the R2 for BI and UB indicate a moderate impact of 0.603 and 0.521, respectively. It is suggested that the model has valuable applications in academic and real-world contexts.

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Gamma — General Abstract Model for Multiset mAnipulation and dynamic dataflow model: An equivalence study

Gamma — General Abstract Model for Multiset mAnipulation an...

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作者： Mello, Rui R. de Araújo, Leandro S. Alves, Tiago A. O. Marzulo, Leandro A. J. Paillard, Gabriel A. L. França, Felipe M. G. Program Systems Engineering and Computer Science Federal University of Rio de Janeiro Rio de Janeiro Brazil Brazilian Navy Research Institute Rio de Janeiro Brazil State University of Rio de Janeiro Rio de Janeiro Brazil Google Mountain ViewCA United States Virtual UFC Institute Federal University of Ceará Ceará Brazil

With the increase of the search for computational models where the expression of parallelism occurs naturally, some paradigms arise as options for the current generation of computers. In this context, dynamic dataflow and Gamma—General Abstract Model for Multiset mAnipulation—emerge as interesting computational model choices. In dynamic dataflow model, operations are performed as soon as their associated operands are available, without rely on a program Counter to dictate the execution order of instructions. The Gamma paradigm is based on a parallel multiset rewriting scheme. It provides a nondeterministic execution model inspired by an abstract chemical machinemetaphor, where operations are formulated as reactions that occur freely among matching elements belonging to the multiset. In this work, equivalence relations between the dynamic dataflow and Gamma paradigms are exposed and explored, while methods to convert from dataflow to Gamma paradigm and vice versa are provided. It is shown that vertices and edges of a dynamic dataflow graph can correspond, respectively, to reactions and multiset elements in the Gamma paradigm. This work provides the scientific community with the possibility of taking profit of both parallel programming models, contributing with a versatility component to researchers and developers. © 2021 John Wiley & Sons, Ltd.

关键词： Parallel programming

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Structured Downsampling for Fast, Memory-efficient Curation of Online Data Streams

arXiv

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arXiv 2024年

作者： Moreno, Matthew Andres Zaman, Luis Dolson, Emily Department of Ecology and Evolutionary Biology Ann Arbor United States Center for the Study of Complex Systems Ann Arbor United States Michigan Institute for Data and AI in Society Ann Arbor United States University of Michigan Ann Arbor United States Department of Computer Science and Engineering East Lansing United States Program in Ecology Evolution and Behavior East Lansing United States Michigan State University East Lansing United States

Operations over data streams typically hinge on efficient mechanisms to aggregate or summarize history on a rolling basis. For high-volume data steams, it is critical to manage state in a manner that is fast and memory efficient - particularly in resource-constrained or real-time contexts. Here, we address the problem of extracting a fixed-capacity, rolling subsample from a data stream. Specifically, we explore "data stream curation" strategies to fulfill requirements on the composition of sample time points retained. Our "DStream" suite of algorithms targets three temporal coverage criteria: (1) steady coverage, where retained samples should spread evenly across elapsed data stream history;(2) stretched coverage, where early data items should be proportionally favored;and (3) tilted coverage, where recent data items should be proportionally favored. For each algorithm, we prove worst-case bounds on rolling coverage quality. In contrast to previous work by Moreno, Rodriguez Papa, and Dolson (2024), which dynamically scales memory use to guarantee a specified level of coverage quality, here we focus on the more practical, application-driven case of maximizing coverage quality given a fixed memory capacity. As a core simplifying assumption, we restrict algorithm design to a single update operation: writing from the data stream to a calculated buffer site - with data never being read back, no metadata stored (e.g., sample timestamps), and data eviction occurring only implicitly via overwrite. Drawing only on primitive, low-level operations and ensuring full, overhead-free use of available memory, this "DStream" framework ideally suits domains that are resource-constrained (e.g., embedded systems), performance-critical (e.g., real-time), and fine-grained (e.g., individual data items as small as single bits or bytes). In particular, proposed power-of-two-based buffer layout schemes support O(1) data ingestion via concise bit-level operations. To further practical applica

关键词： Data streams

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Pan-cancer analysis of CDC7 in human tumors: Integrative multi-omics insights and discovery of novel marine-based inhibitors through machine learning and computational approaches

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computers in Biology and Medicine 2025年 190卷 110044-110044页

作者： Saif, Ahmed Islam, Md. Tarikul Raihan, Md. Obayed Yousefi, Niloofar Rahman, Md. Ajijur Faridi, Hafeez Hasan, Al Riyad Hossain, Mirza Mahfuj Saleem, Rasha Mohammed Albadrani, Ghadeer M. Al-Ghadi, Muath Q. Ahasan Setu, Md. Ali Kamel, Mohamed Abdel-Daim, Mohamed M. Aktaruzzaman, Md. Department of Pharmacy Faculty of Science University of Rajshahi Rajshahi6205 Bangladesh Department of Genetic Engineering and Biotechnology Faculty of Biological Science and Technology Jashore University of Science and Technology Jashore7408 Bangladesh Jashore7408 Bangladesh Department of Pharmaceutical Sciences College of Health Sciences and Pharmacy Chicago State University ChicagoIL United States Department of Industrial Engineering and Management Systems University of Central Florida USA OrlandoFL United States Department of Pharmacy Faculty of Biological Science and Technology Jashore University of Science and Technology Jashore7408 Bangladesh Department of Computer Science and Engineering Faculty of Engineering and Technology Jashore University of Science and Technology Jashore7408 Bangladesh Department of Laboratory Medicine Faculty of Applied Medical Sciences Al-Baha University Al-Baha65431 Saudi Arabia Department of Biology College of Science Princess Nourah bint Abdulrahman University 84428 Riyadh11671 Saudi Arabia Department of Zoology College of Science King Saud University P.O. Box 2455 Riyadh11451 Saudi Arabia Department of Microbiology Faculty of Biological Science and Technology Jashore University of Science and Technology Jashore7408 Bangladesh Department of Medicine and Infectious Diseases Faculty of Veterinary Medicine Cairo University Giza12211 Egypt Department of Pharmaceutical Sciences Pharmacy Program Batterjee Medical College P.O. Box 6231 Jeddah21442 Saudi Arabia Pharmacology Department Faculty of Veterinary Medicine Suez Canal University Ismailia41522 Egypt

Cancer remains a significant global health challenge, with the Cell Division Cycle 7 (CDC7) protein emerging as a potential therapeutic target due to its critical role in tumor proliferation, survival, and resistance. However, a comprehensive analysis of CDC7 across multiple cancers is lacking, and existing therapeutic options have come with limited clinical success. The aim of this is to integrate a comprehensive pan-cancer analysis of CDC7 with the identification of novel marine-derived inhibitors, bridging the understanding of CDC7's role as a prognostic biomarker and therapeutic target across diverse cancer types. In this study, we conducted a pan-cancer analysis of CDC7 across 33 tumor types using publicly available datasets to evaluate its expression, genetic alterations, immune interactions, survival, and prognostic significance. Additionally, a marine-derived compound library of 31,492 molecules was screened to identify potential CDC7 inhibitors using chemoinformatics and machine learning. The top candidates underwent rigorous evaluations, including molecular docking, pharmacokinetics, toxicity, Density Functional Theory (DFT) calculations, and Molecular Dynamics (MD) simulations. The findings revealed that CDC7 is overexpressed in several cancers and is associated with poor survival outcomes and unfavorable prognosis. Enrichment analysis linked CDC7 to critical DNA replication pathways, while its role in modulating tumor-immune interactions highlighted its potential as a target for immunotherapy. Among all tested compounds, Tetrahydroaltersolanol D (CMNPD21999) exhibited the strongest binding affinity and stability, along with better drug-likeness and zero toxicity. These attributes highlight its potential as a promising drug candidate for CDC7 inhibition and future cancer treatment development. Furthermore, additional in vitro and in vivo studies are required to confirm the effectiveness of this drug candidate against the CDC7 protein. © 2025

关键词： Gene expression

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