Digital Commons Network^™

Robust Thermodynamic Analysis Of Flexible Protein-Ligand Binding Using Statistical Mechanics, Mitchell Dulaney

Create@State

Understanding how proteins bind small molecules is essential for accurate computational modeling of biological systems. However, calculating binding free energy (delta G), enthalpy (delta H), and entropy (delta S) becomes unreliable when proteins are flexible, and ligands are between multiple binding positions. This motion causes traditional computational methods to produce inconsistent thermodynamic values.

A computational workflow was implemented that included docking to predict likely binding positions, molecular dynamics simulations to sample how the protein and ligand move over time, and statistical mechanics analysis to calculate thermodynamic quantities. A new theoretical framework was developed and implemented in a custom program to …

Ma(1) Or White Noise?, Orithea Regn, Ferebee Tunno

Create@State

This project provides an over of testing an MA(1) process confidence interval while keeping the margin of error to a minimum, even for small sample sizes.

Synthesizing Fluorescent 3,4-Dihydropyrimidin-2(1h)-Ones Using A One-Pot Synthesis Reaction, John R. Griggs

Create@State

In medical and pharmaceutical practices, Biginelli (3,4-dihydropyrimidin-2(1H)-ones) products have a number of potential uses due to their anticancer and anti-inflammatory properties.  In addition, they are a possible treatment for acquired immunodeficiency syndrome (AIDS). These compounds can be further modified to exhibit fluorescent properties. However, before using them in medicinal studies, it is useful to establish a procedure that can easily be modified and is synthetically accessible to allow for further optimization. The experiment was performed using the Biginelli compounds as a substrate, along with a variety of aromatic aldehydes and acids. After obtaining the products and purifying them with vacuum …

Laser Ablation-Atomic Absorption Spectroscopy Of Yttrium Plasma, Dawn Gipson

Create@State

Laser ablation is a widely used sampling method for elemental chemical analysis. Laser-induced breakdown spectroscopy (LIBS) and laser ablation inductively-coupled mass spectrometry (LA-ICP-MS) are the two most common implementations. Application of these techniques is found throughout the sciences, including analysis in archaeological settings, geology, and medical analysis of hard tissue such as teeth or bone. Many applications benefit from the microdestructive nature of the technique. However, the relationship between the laser-ablation crater and the analytical signal is poorly understood. Laser ablation-atomic absorption spectroscopy (LA-AAS) is used in our laboratory to determine the mass of material incorporated into the plasmas in …

Synthesis And Characterization Of Thiazole Derivatives As Potential Antitumor Agents, Kaylee Leddy

Create@State

Melanoma is the 5th most common cancer in both men and women in the USA. It originates in melanocytes, which make the melanin pigment that gives skin its color. While treatable in early stages, melanoma becomes nearly incurable once metastasized. Thiazole derivatives have been recognized in many pharmaceutical classes including anticancer, antimicrobial, antimalarial, anti-tuberculosis, and diuretics. They have long been researched for their natural pharmacological properties and have shown potential to inhibit melanoma cell growth. In this study, catechol-substituted thiazole derivatives were synthesized using the Hantzsch-Thiazole synthesis. A total of 13 novel compounds were made using 2-chlorodihydroxyacetophenone with various catechol-substituted …

Understanding The Relationship Between Morphometric Indices Of The Eleven Point River And Sediment And Nutrient Transport, Karimot Shobowale, Jennifer Bouldin

Create@State

Objective: To evaluate how watershed characteristics impact sediment transport and water quality parameters.

Spatial Computing With The Apple Vision Pro In Minimally Invasive Procedure Simulation: A Randomized Crossover Feasibility Study, Sydney Cooper, Aaron Kyle Jones, Rahul Anil Sheth, Koustav Pal, Bruno Odisio, Mark Blaylock, Shelita Kimble, Justin Bird, David Rice, Daniel Shoenthal, Emil Patel, Vipin Kamath, Sanjay Gupta, Jeffrey Siewerdsen, Joshua Kuban

Advances in Cancer Education and Quality Improvement

Purpose: This study aimed to evaluate the feasibility of wearing the Apple Vision Pro (AVP), a mixed-reality headset that integrates augmented and virtual reality, while performing minimally invasive procedures. While studies have demonstrated that spatial computing technology can improve surgical precision and reduce the risks of surgical complications, to our knowledge, no studies have specifically addressed the impact of the AVP on task performance during simulated image-guided procedures.

Materials and Methods: Thirteen diagnostic and interventional radiology residents performed image-guided central venous catheter placement, thoracentesis, and paracentesis on simulation models. Each participant completed a non-timed practice followed by the procedures once …

Inc3vits Model: A Hybrid Architecture To Accelerate And Reduce Complexity For The Deepvariant Model For Variant Calling, Mustafa Al-Saffar, Sura Z. Al Rashid

Karbala International Journal of Modern Science

Deep learning has revolutionized genomic variant calling, yet the computational cost of current systems continues to limit scalability. We present a controlled efficiency study of DeepVariant-style pileup architectures under identical training and inference conditions, comparing architectural downsizing with a hybrid CNN–local attention design. Inc3ViTs pairs a streamlined InceptionV3 stem with a lightweight local attention head based on patch tokenization and windowed self-attention, enabling a direct comparison with a CNN-only reduced Inception baseline. Across whole-genome and whole-exome short-read datasets, Inc3ViTs reduces training time by ~40–50% and reduces inference runtime relative to the original DeepVariant. The CNN-only baseline indicates that most speedups …

Modelling Method Of Unmanned Vehicle Dynamics Based On Neural Network, Jun Wang, Min Liu, Xiaochuan Zhang, Yishan Ding, Juhui Feng, Ye Zhuang

Journal of System Simulation

Abstract: To address the challenges of high data acquisition costs of test data on dynamic characteristics between tires and soft terrain and low speed of numerical calculation for unmanned vehicles in complex terrestrial environments, a modeling method of unmanned vehicle dynamics based on a neural network was proposed. Tire-terrain contact dynamics models were built by using discrete element method (DEM) simulations for tire-terrain contact and experimental data, thereby creating a dataset of tire contact forces for various tire materials in terrestrial environments. The neural network was applied to regressively learn the dataset, and a nonlinear neural network tire model was …

Method For Testing And Evaluating Intelligence Level Of Virtual Forces Based On Operational Experiments, Dayong Liu, Zhiming Dong, Weidong Zhang, Wenjun Zhang, Jiancheng Gao

Journal of System Simulation

Abstract: The intelligence level of virtual forces is a key factor affecting the credibility and effectiveness of tactical confrontation simulations. To address the current lack of a testing and evaluation system, a method for testing and evaluating the intelligence level of virtual forces based on operational experiments is proposed. Guided by operational experiment theory, the method stimulates the intelligent behavior of virtual forces by constructing dynamic confrontation environments, and collects, calculates, analyzes, and evaluates their intelligence performance data according to a systematic process. The overall architecture, logical functional modules, and basic evaluation process of the method are designed. A "4M" …

Swosu Research And Scholarly Activity Fair 2026, Swosu Office Of Sponsored Programs

SWOSU Research and Scholarly Activity Fair Programs

On behalf of the University Research and Scholarly Activity Committee (URSAC) and the Office of Sponsored Programs (OSP) at Southwestern Oklahoma State University, we are pleased to welcome you to the Thirty-Fourth SWOSU Research and Scholarly Activity Fair.

Signatures Of Vapor Evolution In Turbulent Convection Cells Recorded By K And Rb Isotopes In Chicxulub Impact Spherules, Courtney Jean Rundhaug, Martin Schiller, Martin Bizzarro, Zhengbin Deng, Hermann Dario Bermúdez

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

The Cretaceous–Paleogene boundary (∼66 Ma) records the Chicxulub asteroid impact, a pivotal event in Earth's history that affected much of the Earth's surface. While products of this impact have been widely studied, the thermodynamics of the plume and formation mechanisms of certain impact materials remain unclear. This study investigates conditions within the intermediate fraction of the Chicxulub impact plume (pyrocloud) using K and Rb isotope signatures of Gorgonilla Island impact spherules with published δ25Mg data to trace evaporation and condensation processes during ejecta dispersion. The δ41K and δ87Rb signatures vary from −1.18 ± 0.04‰ to 0.43 ± 0.09‰ and − …

Sustainability, Culture, And Higher Education: An Autoethnographic Sustainability Comparison Of The Sustainability Initiatives At The University Of Salzburg And Bowling Green State University, Madison Alt

Honors Projects

Human activity is already triggering damaging environmental tipping points (Lenton, 2020), emphasizing the need for sustainability in all aspects of development. Institutes of Higher Education (IHEs) have the power and responsibility to contribute to a more sustainable world (Parr et al., 2022). Bowling Green State University (BGSU) in Ohio, United States, and the Paris Lodron University of Salzburg (PLUS) in Salzburg, Austria are two IHEs with multifaceted sustainability programs. While living and studying at BGSU and PLUS, I used autoethnography, a personal narrative approach, combined with public sustainability information to compare the sustainability initiatives at each university, and determine what …

Research On Control Of Coaxial Dual-Rotor Unmanned Aerial Vehicle Based On Improved Reaching Law, Xinhang Chen, Xiaodong Ling, Chengchang Lang, Shijun Zheng, Yiqi Tang

Journal of System Simulation

Abstract: To address the issues of significant chattering, slow convergence speed, and large overshoot in the control system of a coaxial dual-rotor unmanned aerial vehicle, a control method based on an improved double-power and hyperbolic function integral sliding mode reaching law was proposed. A novel reaching law was designed to achieve fast convergence when the system state is far from the sliding surface and smooth transition when approaching the sliding surface, thereby enhancing the overall convergence speed of the system and ensuring that the system reaches the sliding surface within a finite time. The saturation characteristic of the hyperbolic function …

Uptake And Fate Of Silver And Zinc Engineered Nanoparticles In Maize Under Single And Binary Dosing Soil Ecosystems, Lei Xu, Qingbo Yang, Xingmao Ma, Honglan Shi, John Yang, Hu Yang, Samira Mahdi, Ying Wang, Young Shin Jun

Chemistry Faculty Research & Creative Works

Recent agricultural applications of engineered metallic nanoparticles (ENPs) have raised concerns about their uptake and fate in plants. To understand this critical issue, this study investigated the fate and uptake of silver (Ag) and zinc oxide (ZnO) ENPs in maize (Zea mays L.) after single or binary ENP exposure in soil. Results indicated that both Zn and Ag elemental concentrations in roots increased with increasing ENP dosage. Ag NPs in the tissues were detected, but not Zn NPs. Ag NP concentration was 3 times higher in the roots than in the shoots at low Ag NP dosing, while Ag NP …

Exploring Alternate Methods Of Flood Output Estimation During Natural Disasters, Finley Gardner

Honors College Theses

In April of 2025, extreme flooding damaged many homes and buildings of people across Kentucky. The Federal Emergency Management Agency (FEMA) produces maps that show the potential for flooding in areas around water bodies, but many of the April flooding damaged areas were well outside of the FEMA classification zones. The main purpose of this thesis research was to create an accurate model of potential flood extent in Kentucky and compare it to FEMA maps. This model did not require extensive computing power and produced a map that accurately depicted flood extent through the use of Digital Elevation Model (DEM) …

Sheets Of Spectral Data Of Stokes Waves In Weakly Nonlinear Models, Benjamin F. Akers, Ryan Creedon

Faculty Publications

We study the spectral stability of small-amplitude Stokes waves in a family of weakly nonlinear, unidirectional models of the form u_t + Lu + (u²)_x = 0. We introduce a perturbation method to expand the spectral data in wave amplitude near flat-state eigenvalue collisions, with the ratio of the colliding modes as a free parameter. This yields sheets of spectral data whose slices at fixed amplitude give isolas of instability. The same perturbation framework treats both high-frequency and Benjamin--Feir instabilities, extends to discontinuous dispersion relations (including the Akers--Milewski equation), and, for the first time, provides an …

Designing, Integrating, And Evaluating Blockchain Assignments In The Undergraduate Computer Science Program, Karol Lejmbach

Dissertations (1934 -)

Blockchains as a technology rely heavily on a wide range of computer science topics. These topics include: algorithms, data structures, network communication, cryptography and many more. These topics align nicely with topics often covered in undergraduate computer science course. Blockchain technology offers an interesting opportunity for computer science educa- tors. Blockchains rely heavily on a wide range of computer science topics. These topics include: cryptography, networking, data structures, and algorithms. Many of these top- ics are explored in undergraduate computer science programs either in core or elective classes. This offers an opportunity for teaching students about emerging technologies, such as …

Model-Based System Verification: Theoretical Framework, Key Technologies, And Future Prospects, Bo Sun, Yi Ren, Silin Wang, Qi Liu, Zhidong Li

Journal of System Simulation

Abstract: Traditional system verification methods face significant challenges in terms of efficiency, coverage, and traceability. To address these issues, this paper introduced model-based system verification (MBSV), which deeply integrated verification activities within the model-based systems engineering model system and evolution process. It presented the foundational logic of MBSV and proposed a multiview unified verification modeling strategy based on system modeling language (SysML), integrating requirements, structure, behavior, and constraints. The paper discussed the algorithms for selecting representative paths and reducing equivalent classes to enhance verification efficiency, the principles of test path search, as well as the intelligent path search mechanism based …

Large Language Model For X Language Simulation: Architecture, Key Technologies, And Typical Applications, Laichunyang Peng, Fei Ye, Xiaoming Guo, Jinglin Zhou

Journal of System Simulation

Abstract: General-purpose large language models lack training on X language-specific corpora, and traditional fine-tuning methods lack targeted adaptation to the interdisciplinary integration and multimodule coupling of X language, resulting in problems such as non-standard syntax and semantic deviation in generated code. To address these issues, this paper systematically proposed the definition and integrated architecture of a large language model for X language simulation. Modeling subclasses were defined according to the disciplines and classes of X language, and dedicated adapters were constructed for each subclass. By merging their weights during the inference phase, the incremental integration of multi-domain modeling skills was …

Space-Ground Integrated Collaborative Positioning Algorithm And Simulation For Trajectory Enhancement, Juhui Wei, Xinyong Zhang, Jiongqi Wang, Xuanying Zhou, Zhangming He

Journal of System Simulation

Abstract: To address the challenges of low credibility, weak consistency, and poor accuracy in the information of trajectory results from space-based and ground-based passive time difference positioning simulation systems, a space-ground integrated collaborative positioning method was proposed for trajectory enhancement. By analyzing the operating principle of the time difference positioning system, the influencing factors that measure positioning accuracy in different feature dimensions were obtained; spline smoothing was employed for data alignment between space-based and ground-based systems; a spline-constrained parametric trajectory model was proposed to further enhance the stability; an error-sensitive feature selection framework for improving simulation consistency was constructed to …

Intelligent Competition Platform And Mode Driven By Cloud-Native Simulation, Long Qin, Hesong Huang, Lujia Yin, Chuan Ai, Qi Zhang, Xinmeng Li

Journal of System Simulation

Abstract: To solve the problems faced by the adversarial competition mode of agents, including difficult development and deployment, low resource utilization, poor reusability, and difficulty in accessing reinforcement learning algorithms, a new agent simulation training platform was designed. The software components of the competition platform were decoupled based on cloud-native technology; a high-performance simulation engine for the competition environment was proposed; a new method of an embedded reinforcement learning model for an intelligent control terminal was designed, with multiple online and offline policy-based reinforcement learning algorithms set. The experiment demonstrates that the development and deployment of the system is efficient, …

The Impact Of State And Federal Policies On Academic Researchers: Findings From A National Survey, Dylan Ruediger, Chelsea Mccracken, Jonathan Barefield

Copyright, Fair Use, Scholarly Communication, etc.

Key findings

● State and federal policies targeting divisive concepts or DEI are shaping research agendas at scale and across disciplines. Twenty percent of all respondents, and 29 percent of researchers working in states with divisive concepts or similar laws, reported having avoided certain research topics because of state laws and policies.

● Eight percent of respondents representing a wide range of disciplines reported having had a federal grant cancelled in 2025.

● Eleven percent of respondents reported that federal and state policies restricting research activities are compelling them to seek employment out of state, to leave the academy, or …

Science And Technology Empower New Quality Productive Forces To Promote Green Sustainable Development, Yongxiang Lu

Bulletin of Chinese Academy of Sciences (Chinese Version)

The rapid development of science and technology drives industrial innovation and upgrading, and promotes productive forces toward green, intelligent, and sustainable development. While improving production efficiency, new quality productive forces also promote green and sustainable development. This study reviews on green intelligent manufacturing technologies, green renewable energy technologies, green transportation technologies, and green data technologies, also explores their significance for global green and sustainable development.

Impact Of Climate Change On Agricultural Production In The North China Plain And Adaption Strategies, Yanjun Shen, Ying Guo, Chuanwei Zhang, Yaning Chen

Bulletin of Chinese Academy of Sciences (Chinese Version)

Over the past century, global warming has posed significant challenges to the North China Plain (NCP), a core region for grain production, where resource-induced water scarcity now coincides with complex meteorological disasters. In recent years, the NCP has exhibited new climatic characteristics, notably the transition from a “warm-dry” to a “warm-wet” pattern accompanied by asymmetric warming, leading to an increased frequency of extreme events such as droughts, abrupt dry-flood alternations, and temperature extremes. These shifts pose a grave threat to regional grain stability. Currently, critical gaps remain in the understanding of the underlying disaster mechanisms, as well as in predictive …

Impacts Of Climate Change On Agricultural Production And Adaptation Strategies In Northeast China, Ming Jiang, Aizhen Liang, Peng Qi

Bulletin of Chinese Academy of Sciences (Chinese Version)

As the “stabilizer” of national food security, Northeast China is highly sensitive to climate change. Over the past 60 years, the regional temperature has risen significantly at a rate of 0.034℃/a, which is much higher than the global average of 0.0074℃/a. The improvement of thermal resources has driven a significant northward expansion of high-yield and heat-demanding crops, such as maize and rice. Nevertheless, increased warming has enhanced evapotranspiration demand, which, combined with the expansion of planting scales, has led to a 19.8% increase in agricultural irrigation water consumption over the past 20 years, resulting in a prominent contradiction between supply …

Impact And Countermeasures Of Climate Change On Grain Production In Northwest China, Qin’Ge Dong, Jianqiang He, Yi Li, Ning Yao, Xiang Li, Haolei Zhang, Shengnan Wang, Tengcong Jiang, Baiqing Chen, Chunrui Gao, Chao Liang, Guiyuan Zhang, Lei Gong, Jinxuan Zhao, Qiang Yu, Hao Feng

Bulletin of Chinese Academy of Sciences (Chinese Version)

Global climate change is reshaping the agricultural production patterns of grain crops in Northwest China. As an important reserve region for national grain production, Northwest China faces multiple uncertainties and compound risks in food security. This study analyzes the current status and limiting factors of grain production, along with regional climate change trends, and systematically evaluates the impacts of climate change and its associated disasters on the spatial distribution, cropping systems, and yield formation of major crops such as wheat, maize, and potato. Over the past 60 years, the region has experienced a warming rate of approximately 0.32℃ per decade …

Accelerating Marine Science And Technology Innovation Under Great Power Competition: Challenges And Recommendations, Qingbin Guo, Yongsha Xiong, Shifang Sun

Bulletin of Chinese Academy of Sciences (Chinese Version)

Against the backdrop of intensifying great-power competition, the core issues of global technological competition and cooperation are increasingly converging on the marine domain. The oceans are progressively becoming a critical strategic sphere for national development and security. At present, China is steadily advancing towards its goal of becoming a maritime power, achieving historic leaps in technological innovation such as shipbuilding and deep-sea exploration. Nevertheless, the path ahead for China’s marine science and technology innovation will inevitably face severe international circumstances and competition from established global maritime powers. Based on a review of global and Chinese progress in marine science and …

Challenges In Strategic Exploitation Of Deep-Sea Minerals And China’S Countermeasures, Chang Wang, Xiaojie Shu, Siyuan Zhou, Huiling Song, Shaojun Liu, Xiangxin Xu, Tao Dai, Tao Zhang, Peng Wang, Zheng Li, Jinhua Cheng

Bulletin of Chinese Academy of Sciences (Chinese Version)

Facing the new stage of strategic mining of deep-sea minerals and the long-term pressure of supply of critical minerals, China urgently needs to seize the window of opportunity for the strategic exploitation of deep-sea critical minerals and open up new sources of supply of critical minerals. Having analyzed the new global situation and challenges of the strategic exploitation of deep-sea critical mineral resources, the study attempted to clarify the supporting role of deep-sea mining in securing critical mineral supply, as well as the actual conditions and main obstacles for the strategic exploitation of deep-sea critical mineral resources in China. Based …

Construction Of China’S Marine Protected Area System In 15th Five-Year Plan, Ke Duan, Danhong Chen, Keqiang Li, Limin Han, Zhengyan Liu, Dongliang Lu, Xiulin Wang

Bulletin of Chinese Academy of Sciences (Chinese Version)

The establishment of the marine protected area (MPA) system constitutes a critical component of the national initiative to comprehensively advance the development of a nature reserve system centered on national parks. This study explores on domestic and international development trends from aspects such as conservation strategies, international policies, high seas protection, and development trends. It also sorts out and analyzes the construction status of marine protected area systems in China and the United States. Centering on issues in China related to spatial layout, management systems, policies and laws, scientific research support, high seas governance, and land-sea management, the study puts …