Physical Sciences and Mathematics Commons^™

Quantitative Structure-Activity Relationship, Pharmacokinetics, Drug-Likeness, Toxicity, And Molecular Docking Studies Of 4-N-(Methyl)-4-Aminoquinoline Derivatives As Antimalarial Compounds, Muhamad Jalil Baari, Devi Hardiyanti

Makara Journal of Science

Antimalarial drug resistance has encouraged various innovations to develop novel drug compounds that are effective, feasible, and safe, adhering to health standards. One way to do that is by observing and predicting the biological activity of drug compounds using quantitative structure–activity relationship (QSAR) analysis. In this study, QSAR analysis was conducted on the 4-N-(methyl)-4-aminoquinoline derivatives, which effectively inhibit the growth of Plasmodium falciparum as a source of malaria. The research stages involved molecular structure modeling, molecular geometry optimization using the AM1 semi-empirical method, and QSAR descriptor calculations, including electronic (atomic charges (q), HOMO and LUMO energies, polarizability (α), …

Impact Of Ethanol On The Evolution Of One-Step Synthesized Gold Nanoplates And Nanostars And Their Effects On Raman Signal Enhancement, Ananda Fania, Nonni Soraya Sambudi, Kirana Yuniati Putri, Yuliati Herbani, Affi Nur Hidayah

Makara Journal of Science

Gold nanoplates and nanostars were synthesized from a gold metal salt solution (HAuCl₄) using a one-step synthesis method of ultraviolet C (UVC) light irradiation. The gold salt solution was mixed with ethanol in 6 mL with the following ratios: (1.5:4.5, 3:3, and 4.5:1.5), and subsequently irradiated with UVC light. Changes in localized surface plasmon resonance (LSPR) shifts were observed in real time at 30-min intervals for 2 h. The synthesis process produces gold nanoplates. While gold nanostars were synthesized from a solution of gold salt combined with ethanol, ascorbic acid, and AgNO₃, maintaining a consistent ratio …

Draft Final Quarterly Operations And Maintenance Report: Butte Treatment Lagoon System – Third Quarter 2025, Pioneer Technical Services, Inc.

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Suitability Of Mobile Phase Recycling For Methylxanthine Quantification In Coffee Samples Using Hplc, Kaitlin O’Keeffe, Marcos Mariano, Brian Murphy

SURE Journal: Science Undergraduate Research Experience Journal

Caffeine, theobromine and theophylline fall under a drug class known as methylxanthines. These three compounds are of major interest in the food industry due to their presence in popular foods and beverages such as tea, coffee, and chocolate. As these compounds can cause physical and mental stress at high dosages, their quantification is essential to ensure product safety and quality. Here, we describe an eco-friendly HPLC method developed to quantify the amount of these analytes in coffee samples sourced across the SETU Waterford, Cork Road campus. Using an isocratic mixture of water and methanol, a mobile phase recycling approach was …

Developing A Tool To Measure Resistance To Sustainable Food Choices: A Pilot Study In Ireland And The Netherlands, Kate Flanagan, Bart Sinteur, Patricia J. Bulsing, John M. Kearney

SURE Journal: Science Undergraduate Research Experience Journal

Consumer uptake of a sustainable diet is critical for addressing environmental challenges and promoting public health. Understanding why consumers resist adopting sustainable eating habits can inform targeted interventions and policies. This pilot study examines whether a newly developed scale can effectively detect consumer resistance to a sustainable diet. Currently, there is a lack of research on a tool to measure consumer resistance to a sustainable diet, highlighting the need for a reliable instrument.

The aim of this study is to develop a scale, based on existing literature, to measure consumer resistance to a sustainable diet. Additionally, the study aims to …

Editorial-Sure Journal Volume 7, Issue 2, Geraldine M. Dowling, Eva Campion, Sinead Loughran, Ariane Perez-Gavilan, Josephine Treacy

SURE Journal: Science Undergraduate Research Experience Journal

No abstract provided.

Mapping Sustainability To Cybernetic-Generative Artificial Intelligence-Based Education: An Innovative Neutrosophic Orbifold-Lattice Methodology, Mona Mohamed, Ahmed A. Metwaly

Neutrosophic Systems with Applications

The lightning-fast development of artificial intelligence (AI), notably generative artificial intelligence (Gen AI) technologies, has intrigued multiple disciplines, particularly education. In this context, Large Language Models (LLMs) serve as beneficial cognitive resources that address knowledge deficits and provide tailored educational support for learners and staff. For learners, LLMs are regarded as knowledgeable educators who offer prompt, focused responses and rationales to tricky queries. Whereby LLMs for staff, Strength enhancer, automating tedious tasks, and creating intelligent resources.Gen AI’s rapid growth offers enormous obstacles for educational systems, compelling them to discover solutions for these obstacles.

Conceptually, cybernetics is leveraged for bridging the …

Fine-Tuning Llama2 For Summarizing Discharge Notes: Evaluating The Role Of Highlighted Information, Mahshad Koohi Habibi Dehkordi, Yehoshua Perl, Fadi P. Deek, Hao Liu

School of Computing Faculty Scholarship and Creative Works

This study investigates whether incorporating highlighted information in discharge notes improves the quality of the summaries generated by Large Language Models (LLMs). Specifically, it evaluates the effect of using highlighted versus unhighlighted inputs for fine-tuning LLaMA2-13B model for summarization tasks. We fine-tuned LlaMA2-13B in two variants using MIMIC-IV-Ext-BHC dataset: one variant fine-tuned with the highlighted discharge notes (H-LLaMA), and the other on the same set of notes without highlighting (U-LLaMA). Highlighting was performed automatically using a Cardiology Interface Terminology (CIT) presented in our previous work. H-LLaMA and U-LLaMA were evaluated on a randomly selected test set of 100 discharge notes …

Advancements In Perfect Matchings Within Neutrosophic Fuzzy Graphs: Theory And Applications, Muhammad Saeed, Fatima Razaq

Neutrosophic Systems with Applications

Graph theory has been widely used in exemplifying relational structure, and a greater generalization to fuzzy and neutrosophic space enables the exemplification of uncertainty, indeterminacy, and inconsistency in complex systems. Some of these extensions include the neutrosophic fuzzy graphs that provide a more detailed description of the loose relations between the vertices and the edges. However, unlike in classical graph theory, where the concepts of matching and perfect matching are well developed, very little has been studied on how the two concepts can be extended to neutrosophic fuzzy graphs. To seal this gap, the current paper develops and defines the …

Neutrosophic Σ - Baire Spaces, R. Vijayalakshmi, F. Josephine Daisy, M. Simaringa

Neutrosophic Systems with Applications

A Neutrosophic Baire Space extends the concept of Baire Space from classical topology to the realm of neutrosophic topology which deals with sets and spaces where truth, falsehood and indeterminancy are explicitly considered. In this paper the concept of neutrosophic σ - baire spaces are introduced in Neutrosophic topological spaces. Also Neutrosophic σ - dense, Neutrosophic σ - nowhere dense, Neutrosophic σ -first category and Neutrosophic σ - second category sets are defined. Several characterizations of neutrosophic σ - baire spaces are investigated and explained using examples and the conditions under which a neutrosophic topological space becomes a neutrosophic σ …

Multipacking On Graphs And Euclidean Metric Space, Sk Samim Islam

Doctoral Theses

A multipacking in an undirected graph G = (V,E) is a set M ⊆ V such that for every vertex v ∈ V and for every integer r ≥ 1, the ball of radius r around v contains at most r vertices of M, that is, there are at most r vertices in M at a distance at most r from v in G. The multipacking number of G is the maximum cardinality of a multipacking of G and is denoted by mp(G). The MULTIPACKING problem asks whether a graph contains a multipacking of size at least k. For more …

Re: Comment Letter For Butte Priority Soils Operable Unit (Bpsou) Draft Interim Site-Wide Surface Water Monitoring Quality Assurance Project Plan (Qapp) (Dated November 24, 2025), Emma Rott

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

An Algorithm For Extracting Bathymetry From Icesat-2 Data That Employs Structure And Density Using Concentric Ellipses, Yuri Rzhanov, Kim Lowell

Faculty Publications

The ICESat-2 satellite collects LiDAR data along linear orbital tracks using a photon-counting green wavelength (532.27 nm) instrument. The utility of combining ICESat-2 data with satellite imagery for training and subsequently applying satellite-derived bathymetry models to provide estimates of shallow water depth is well-established. However, automating and improving the accuracy of the identification of ICESat-2 photon events (PEs) representing bathymetry remains a challenge. This article presents an algorithm for automated extraction of PEs reflected from the ocean floor (rather than the ocean surface or noise in the water column). The algorithm is unique in examining both the density of PEs …

Re: Comment Letter For Butte Priority Soils Operable Unit (Bpsou) Draft 2026 Interim Site-Wide Groundwater Monitoring Quality Assurance Project Plan (Qapp) (Dated November 18, 2025), Emma Rott

Silver Bow Creek/Butte Area Superfund Site

No abstract provided.

Mixed Linear Equation–Inequality Systems Over The Pura Vida Neutrosophic Algebra, Muhammad Rayyanu Abdullahi, Abdulhadi Aminu

Neutrosophic Systems with Applications

This paper proposes a neutrosophic extension of max-plus algebra for solving mixed systems of linear equations and inequalities.Classical max-plus algebra is a powerful tool for modeling synchronization in discrete-event systems LastNatpreClose LastNatClose, but it assumes fully deterministic data.To incorporate uncertainty and indeterminacy, we reformulate the framework so that coefficients and variables are expressed as neutrosophic numbers

γ+λI,γ,λ∈ℝ,I∈[0,1],

where I quantifies the degree of indeterminacy.

We redefine the max-plus semiring in this neutrosophic setting, extend solvability and uniqueness results, and adapt the ONEMLP-EI algorithm LastNatpreClose LastNatClose to handle neutrosophic …

Integrating Mcdm Techniques For Optimized Task Offloading In Multi-Uav- Enaled Mobile Edge Computing System, Amira Salam

Neutrosophic Systems with Applications

Carefully choosing a task offloading strategy is crucial for optimizing task scheduling and offloading strategies in a multi-UAV system. Regarding cost, responsiveness, scalability, and data security, each strategy has pros and cons. As a result, selecting the best offloading technique is essential to multi-UAV mobile edge computing task scheduling optimization. A methodical and well-informed decision-making process accomplishes this.

The current study introduces a new hybrid methodology for the multi-criteria decision-making (MCDM) model, known as IVNs-DEMATEL-ANP-VIKOR. The purpose of this model is to find and choose an efficient task offloading strategy. With this method, we use IVNs-DEMATEL to show how different …

Salicylic Acid Heterocyclic Derivatives: Chemical Synthesis And Biological Activity, Rawaa Hefdi Zaooli, Marwa Abdulameer Mseer, Amneen Mohammed Alsayegh

Al-Bahir

Before a drug can be widely used, it must go through a long development process, starting from the discovery of the active ingredient and continuing with tests to confirm its safety and effectiveness. In this study, new olsalazine derivatives were synthesized, containing a fused morpholine-3-one ring and two five-membered heterocyclic rings (thiadiazole and oxadiazole). Common and readily available materials, such as salicylic acid (to prepare 2-hydroxy-5-nitrobenzoic acid) and inexpensive catalysts, were used to synthesize compounds from the first, 5,5'-(diazene-1,2-diyl)bis(2-hydroxy-3-nitrobenzoic acid) (A1), to the seventh, 6,6'-(diazene-1,2-diyl)bis(N-(4-(5-amino-1,3,4-oxadiazol-2-yl)phenyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxamide) (A7).

Each compound was characterized by FT-IR and ¹H-NMR spectroscopy, along with physical properties such …

Energetics And Kinetics Of Alkali Ion Exchange In Analcime, Jinyi Liu, An T. Ta, R. Seaton Ullberg, Jean Wilfried Hounfodji, Michael Badawi, Hans Conrad Zur Loye, Simon R. Phillpot

Faculty Publications

We employ density functional theory calculations to investigate the energetics and diffusion mechanisms of alkali metal ions (Na⁺, K⁺, Rb⁺, and Cs⁺) within the analcime framework. While Na⁺preferentially adsorbs at the center of the 8-member ring, DFT calculations show that larger ions, such as Cs⁺, occupy the center of the cage due to steric constraints. The computed exchange energies indicate that exchange of Na⁺by Cs⁺is thermodynamically favorable. Migration energy barriers, determined using the climbing image nudged elastic band method, show that Na⁺is …

Chaos Engineering In Multi-Gigahertz Solid-State Lasers: A Novel Approach To Optoelectronic Control, Mikhail V. Gorbunkov, Yulia Ya. Maslova, Yulia A. Sinichkina

Karbala International Journal of Modern Science

This paper presents a comprehensive study of a multi-gigahertz chaotic generator of light pulses based on solid-state laser sources, including fiber lasers, governed by carefully designed positive and negative feedback loops. It harnesses the inherent nonlinear dynamics within a solid-state laser controlled by a combination of two inertial feedback loops, enabling the realization of complex chaotic behavior, including the logistic map scenario, under moderate amplification conditions. The laser system dynamics are rigorously investigated through theoretical modeling, employing a nonlinear map approach, and high-resolution picosecond simulations. The results of our numerical simulations highlight the efficacy of fast electro-optical feedback system with …

Unveiling The Anticancer Potential Of Syzygium Cumini: In Silico Insights Into Its Mechanistic Action Against Non-Small Cell Lung Cancer, Nur Sofiatul Aini, Win Darmanto

Karbala International Journal of Modern Science

Non-small cell lung carcinoma (NSCLC) is the most periodic type of lung cancer and the second most diagnosed cancer globally. Syzygium cumini is plant that extensively used in cuisine and traditional medicine. However, its potential for NSCLC treatment has not yet been elucidated. This study determined the potential of S. cumini as anti-NSCLC using in silico approaches. The in silico study was applied to perform active compound analysis, selection of target candidates, network pharmacology, functional annotation, molecular docking, and molecular dynamics simulation, respectively. Based on open source databases, S. cumini contained 115 compounds and 14 of them predicted to have …

A New Avenue For Higgs Boson Self-Coupling Measurements: Combined Searches For Higgs Pairs In Multilepton Final States With The Atlas Experiment, Reagan E. Thornberry

Physics Theses and Dissertations

The Higgs boson self-coupling (λ) is a fundamental parameter of the Standard Model that sets the shape of the Higgs potential and probes the mechanism of electroweak symmetry breaking. This coupling can be directly measured through Higgs boson pair production (HH), which has a predicted production rate roughly 1000 times smaller than single-Higgs production at the LHC.

A combined search for non-resonant Higgs boson pair production in final states with multiple light leptons (e,µ), hadronically decaying τ leptons, and photons is presented, using 140 fb−1 of 13 TeV proton-proton collision data collected by the ATLAS detector during Run 2 of …

Accurate Prediction Of Geometrical Parameters Of An Ultra-Broadband Metamaterial Absorber Using Machine Learning, Md. Rezwan Ahmed, Oishi Jyoti, Pritu Parna Sarkar, Mohammod Abdul Motin, Md. Selim Habib, Md. Samiul Habib

Electrical and Computer Engineering Faculty Publications

In this paper, we systematically demonstrate the design and analysis of a new type of ultra-broadband tunable metamaterial perfect absorber (MPA) comprising a top vanadium dioxide (VO2) based patterned resonating patch, a continuous metallic film at the bottom, and an intermediate dielectric substrate having a thickness of only 0.18 at the center working frequency. The simulation results reveal that the absorber achieves a bandwidth of 7.26 THz, ranging from 5.40 THz to 12.66 THz, with more than 90% absorptance and an average absorption of 98.21% under normal incidence of the incoming THz wave. Furthermore, absorptance exceeding 99% is achieved between …

Exploring Ecological Zonation Of The Yellow River Estuary Coastal Zone Based On Nitrogen And Phosphorus Criteria, Dejuan Jiang, Song Qin, Zhengyi Liu, Ruiteng Sun, Xiaoshuai Hang, Tao Zou, Xiaoguang Li, Lijuan Li, Shichao Tian, Yanfang Li, Yongming Luo, Chuanyuan Wang, Yuan Li

Bulletin of Chinese Academy of Sciences (Chinese Version)

Estuaries, as ecologically sensitive brackish water mixing zones, face a critical bottleneck in refined management because traditional zonation based on socioeconomic attributes overlooks the ecological heterogeneity driven by salinity gradients and nutrient stoichiometry, leading to a disconnect between management measures and conservation needs. This study proposes a novel approach to coastal zonation using nitrogen and phosphorus nutrient criteria as an ecological benchmark. Overall ecological criteria are established for the Yellow River estuary (dissolved inorganic nitrogen: 0.258 mg/L; phosphate: 0.015 mg/L) and a differentiated management scheme is constructed based on a salinity gradient (26.5 PSU boundary). It is recommended to integrate …

Long-Term Ecological Research Provides Theoretical And Technical Support For Ecological Restoration And High-Quality Development In Agro-Pastoral Ecotone, Wenming Bai, Cunzheng Wei, Longyu Hou, Linghao Li, Xingguo Han, Wenhao Zhang

Bulletin of Chinese Academy of Sciences (Chinese Version)

Since its establishment in 2001, the Duolun Restoration Ecology Station, Institute of Botany, Chinese Academy of Sciences (Duolun Station) has been dedicated to addressing severe grassland degradation and slow economic development in the agro-pastoral ecotone, north of Beijing. A series of systematic studies were conducted on the degraded grassland ecosystem in the agro-pastoral ecotone of Duolun County, Inner Mongolia. The major research findings are summarized as follows. (1) Elucidated that species-specific trait of plant roots, along with the changes in soil properties, are the primary drivers determining how plant and microbial community structure and function respond to anthropogenic disturbances and …

Duolun Restoration Ecology Station, Institute Of Botany, Chinese Academy Of Sciences, Institute Of Botany, Chinese Academy Of Sciences

Bulletin of Chinese Academy of Sciences (Chinese Version)

No abstract provided.

Ecological Barrier Of Coastal Zone In China: Concept, Functions, And Construction Theory, Guangxuan Han, Xiaoli Bi, Xiyong Hou, Xiaoli Zhang, Qianguo Xing, Yuan Li, Haiqing Ma, Ting Wang, Song Qin

Bulletin of Chinese Academy of Sciences (Chinese Version)

The ecological barrier of coastal zone serves as a critical defense line for safeguarding coastal ecological security and sustainable socio-economic development, with multifaceted functions including wave attenuation, shoreline stabilization, and climate regulation. This study systematically elaborates on the concept and essence of ecological barriers of coastal zone, highlighting their core as land-sea continuums that synergistically leverage ecosystem integrity, hydrological connectivity, and biodiversity to provide systemic deliver protective functions. Nevertheless, China’s coastal ecological barrier construction faces four major challenges, namely, (1) theoretical frameworks, often derived from inland models, inadequately represent the complex land-sea interactions and socio-economic drivers; (2) the absence of …

Spatial Resilience Of Coastal Zones From Landscape Pattern Perspective: Connotation, Characteristics, Key Elements, And Pathways For Enhancement, Haixing Meng, Congchun Wang, Shufeng Ye

Bulletin of Chinese Academy of Sciences (Chinese Version)

The coastal zone is a critical ecological barrier at the land–sea interface. Nevertheless, its defensive and regulatory functions have been severely undermined by climate change and intensified human activities, which have caused landscape fragmentation and reduced connectivity. From the perspective of landscape pattern, this study defines the concept of coastal zone spatial resilience and develops a three-dimensional framework of “structure–process–function”, elucidating its attributes of stability, adaptability, recoverability, and dynamic evolution. By coupling ecological spatial resilience theory, the study identifies key landscape elements shaping spatial resilience and proposes an assessment framework consisting of sensitivity, structure, and ecological vitality and services. Building …

Coastal Zone Ecological Barrier Construction: Holistic Governance And Its Promotion Path, Xiurong Huang, Aihua Jiang, Dou Xiaodong Dou

Bulletin of Chinese Academy of Sciences (Chinese Version)

The coastal zone is the frontier of the interaction between sea and land. As a special geographical unit, it has dual values of ecological security and economic development. It has become an important proposition to promote the resilience construction of coastal zone ecological barrier. In response to the current regulatory dilemma of “Kowloon Sea Governance”, structural contradictions in laws and norms, and complex conflicts of related interests, the construction of coastal zone ecological barrier must move from static protection to dynamic governance. In the goal dimension, the shift from “passive defense” to “resilient system construction” should be realized; in the …

Institutional Safeguards And International Experience For Construction Of Coastal Ecological Barrier, Jiayu Bai, Yalei Qing, Shufeng Ye

Bulletin of Chinese Academy of Sciences (Chinese Version)

The coastal zone is a transitional area shaped by the interaction between land and sea, and it holds significant importance for national ecological security as well as economic and social development. Against the backdrop of advancing Chinese modernization, the research on institutional safeguards for the construction of coastal ecological barrier is essential for building a comprehensive framework for ecological conservation from the mountaintop to the ocean, implementing the major projects to protect and restore key ecosystems and the “dual carbon” goals, and promoting ecological civilization and the construction of a Beautiful China. At present, China’s institutional safeguards for coastal ecological …

Three Decades Of Chinese Internet Technology: Social Risks And Prevention Pathways, Zhaokai Yin, Weifu Zhang

Bulletin of Chinese Academy of Sciences (Chinese Version)

With the rapid advancement and application of big data, artificial intelligence, and mobile Internet technologies, network technology has been driving social development, while its negative effects have gradually emerged. Based on a critical perspective and logical reasoning, this study systematically reviews the evolution and characteristic manifestations of social risks in China’s network technology over the past 30 years, revealing multiple hidden dangers it has caused in data governance, capital operation, and political communication. Under the new situation, to prevent and defuse the social risks of network technology, precise measures should be taken from aspects such as value guidance, institutional regulation, …