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Full-Text Articles in Physical Sciences and Mathematics

University Of Arkansas, Chemistry And Biochemistry Department Research Publications, 2014- November 2023. 107p., Jeremy Smith, Lutishoor Salisbury Nov 2023

University Of Arkansas, Chemistry And Biochemistry Department Research Publications, 2014- November 2023. 107p., Jeremy Smith, Lutishoor Salisbury

University Libraries Faculty Publications and Presentations

This report provides a compilation of the research publications by the Chemistry and Biochemistry faculty for the period: 2014 - November 2023. The information was gathered from major databases in science and technology including Web of Science, SciFinder, Reaxys, PubMed, IEEE Explore and Engineering Index. At least one author in each of the publications has the CHBC department as its affiliation. It includes a table summarizing the research. The listing is organized according to type of publications within specific years.


Building The Soil Carbon Sponge At Murray Wells Farm, Tambellup, Western Australia, Wendy Bradshaw Nov 2023

Building The Soil Carbon Sponge At Murray Wells Farm, Tambellup, Western Australia, Wendy Bradshaw

Natural resources published reports

Peter and Wendy Bradshaw farmed at Murray Wells Farm about 25 km west of Tambellup for around 46 years until they sold and retired in 2022. They produced barley, oats, merino and prime lambs on an annual rainfall of 450 mm over 1,000 arable hectares. The farm was on a moderately undulating landscape with a mix of soils including sandy duplex, well-drained sand over gravel over clay, shallow sandy or loamy gravel over cemented laterite and red to brown loamy soils.Their farming philosophy was to view agriculture as an ecological enterprise that included them as part of the ecosystem, and …


Motif-Cluster: A Spatial Clustering Package For Repetitive Motif Binding Patterns, Mengyuan Zhou Nov 2023

Motif-Cluster: A Spatial Clustering Package For Repetitive Motif Binding Patterns, Mengyuan Zhou

Department of Computer Science and Engineering: Dissertations, Theses, and Student Research

Previous efforts in using genome-wide analysis of transcription factor binding sites (TFBSs) have overlooked the importance of ranking potential significant regulatory regions, especially those with repetitive binding within a local region. Identifying these homogenous binding sites is critical because they have the potential to amplify the binding affinity and regulation activity of transcription factors, impacting gene expression and cellular functions. To address this issue, we developed an open-source tool Motif-Cluster that prioritizes and visualizes transcription factor regulatory regions by incorporating the idea of local motif clusters. Motif-Cluster can rank the significant transcription factor regulatory regions without the need for experimental …


Convolutional Neural Network-Based Gene Prediction Using Buffalograss As A Model System, Michael Morikone Nov 2023

Convolutional Neural Network-Based Gene Prediction Using Buffalograss As A Model System, Michael Morikone

Complex Biosystems PhD Program: Dissertations

The task of gene prediction has been largely stagnant in algorithmic improvements compared to when algorithms were first developed for predicting genes thirty years ago. Rather than iteratively improving the underlying algorithms in gene prediction tools by utilizing better performing models, most current approaches update existing tools through incorporating increasing amounts of extrinsic data to improve gene prediction performance. The traditional method of predicting genes is done using Hidden Markov Models (HMMs). These HMMs are constrained by having strict assumptions made about the independence of genes that do not always hold true. To address this, a Convolutional Neural Network (CNN) …


Transforming Agriculture In The Pilbara: Newman Managed Aquifer Recharge (Mar) Feasibility Assessment, Michael J. Donn, Joanne L. Vanderzalm, Olga V. Barron Nov 2023

Transforming Agriculture In The Pilbara: Newman Managed Aquifer Recharge (Mar) Feasibility Assessment, Michael J. Donn, Joanne L. Vanderzalm, Olga V. Barron

Natural resources commissioned reports

In the Newman region, DPIRD commissioned an assessment of the potential for managed aquifer recharge (MAR) near Newman using surplus water resulting from mine dewatering as the water supply for irrigated agriculture. The objectives of the MAR assessment were to:

  • identify focus area for MAR feasibility assessment within the initial larger area of interest for MAR
  • assess the viability of MAR with mine dewater near Newman to support development of irrigated agriculture, in keeping with national and state MAR guidelines
  • identify key risks associated with MAR with mine dewater for irrigation supply, and identify knowledge/investigation required to adequately assess risks …


Groundwater System Characterisation: Fortescue Alluvial Fan, Michael J. Donn, Olga V. Barron, Axel Suckow, Chris Turnadge, John A. Simons, Robert J. Paul, Christopher Schelfhout Dr Nov 2023

Groundwater System Characterisation: Fortescue Alluvial Fan, Michael J. Donn, Olga V. Barron, Axel Suckow, Chris Turnadge, John A. Simons, Robert J. Paul, Christopher Schelfhout Dr

Natural resources commissioned reports

This report focuses on groundwater system characterisation in the region north of Newman, based on analysis of pre-existing data and data newly acquired during project activities. Groundwater system characterisation was an important research component supporting the assessment of managed aquifer recharge opportunities, using mine dewatering surplus generated (due to mining below the watertable) at large BHP Billiton Iron Ore operations in the eastern Pilbara mining zone, and aiming to support irrigated agriculture. The assessment area is located north of Ethel Gorge and covers the Upper Fortescue River floodplain and surroundings. The project added much knowledge to this largely ‘data-poor’ region, …


Agricultural Groundcover Update October 2023, Justin Laycock Nov 2023

Agricultural Groundcover Update October 2023, Justin Laycock

Natural resources published reports

Summary

  • About 98% of the grainbelt had adequate vegetative groundcover (more than 50%) to prevent wind erosion in October 2023. This amount of groundcover is normal at the end of spring and pre-harvest in most areas.
  • There was a larger than average area with 51–60% groundcover, and groundcover in these areas is expected to reduce over summer to below 50%.
  • About 2% of the grainbelt (293,000 ha) had less than 50% groundcover, which is inadequate to prevent wind erosion. Mullewa to Morawa Ag Soil Zone had the highest risk of wind erosion and 8% of this farmland had inadequate groundcover. …


Using Biometrics, Behavioral Observations, And Multiple Molecular Techniques To Assess The Impacts Of Changes In Temperature And Salinity On The Common Bay Mussel (Mytilus Trossulus), Casey Martin Nov 2023

Using Biometrics, Behavioral Observations, And Multiple Molecular Techniques To Assess The Impacts Of Changes In Temperature And Salinity On The Common Bay Mussel (Mytilus Trossulus), Casey Martin

Dissertations and Theses

The intertidal zone is a place of rapid and frequent change that is home to a variety of creatures who are essential to the integrity of the habitat. Mussels are robust sessile bivalves that anchor to the rocks of the intertidal. The prominent species on the Oregon Coast, the Common Bay Mussel (Mytilus trossulus), plays an essential role as a coastal food source, water column filter, and barrier to prevent erosion due to wave action. Mytilus trossulus withstands daily shifts in temperature, salinity, and tide, as well as seasonal changes. Global climate change due to excess carbon emissions …


Skin Lipids Alone Enable Conspecific Tracking In An Invasive Reptile, The Argentine Black And White Tegu Lizard (Salvator Merianae), M. Rockwell Parker, Eric A. Tillman, Lauren A. Nazarian, Megan L. Barlowe, Julianna M. Lincoln, Bryan M. Kluever Oct 2023

Skin Lipids Alone Enable Conspecific Tracking In An Invasive Reptile, The Argentine Black And White Tegu Lizard (Salvator Merianae), M. Rockwell Parker, Eric A. Tillman, Lauren A. Nazarian, Megan L. Barlowe, Julianna M. Lincoln, Bryan M. Kluever

United States Department of Agriculture Wildlife Services: Staff Publications

Locating potential mates in non-native habitats is one of the most important challenges faced by invasive vertebrate species. The Argentine black and white tegu lizard (Salvator merianae) is a major invasive reptile species in the contiguous United States and is rapidly expanding its range across Florida and the Southeast, in part due to inadequate management strategies and tools. Because a wide array of reptiles, especially squamates (snakes and lizards), have been well-studied for their reliance on chemical cues to locate conspecifics, our project aimed to isolate chemical cues from tegus and assess the ability of adult males and …


Depaul Digest Oct 2023

Depaul Digest

DePaul Magazine

College of Education Professor Jason Goulah fosters hope, happiness and global citizenship through DePaul’s Institute for Daisaku Ikeda Studies in Education. Associate Journalism Professor Jill Hopke shares how to talk about climate change. News briefs from DePaul’s 10 colleges and schools: Occupational Therapy Standardized Patient Program, Financial Planning Certificate program, Business Education in Technology and Analytics Hub, Racial Justice Initiative, Teacher Quality Partnership grant, Intimate Partner Violence and Brain Injury collaboration, School of Music Career Closet, Sports Photojournalism course, DePaul Migration Collaborative’s Solutions Lab, Inclusive Screenwriting courses. New appointments: School of Music Dean John Milbauer, College of Education Dean Jennifer …


10.30.2023, Liz Williamson Oct 2023

10.30.2023, Liz Williamson

ORSP Newsletter

No abstract provided.


Using Post-Season Tissue Nitrogen Concentrations To Predict Adequacy Of In-Season Nitrogen Management, Kyle Hoegenauer, Trenton Roberts, Carrie Ortel, Jarrod Hardke, Mike Richardson, Mike Daniels Oct 2023

Using Post-Season Tissue Nitrogen Concentrations To Predict Adequacy Of In-Season Nitrogen Management, Kyle Hoegenauer, Trenton Roberts, Carrie Ortel, Jarrod Hardke, Mike Richardson, Mike Daniels

Crop, Soil and Environmental Sciences Faculty Publications and Presentations

High-yielding mechanized rice production requires large amounts of nitrogen (N) fertilizer, which can be particularly costly to producers when applied in excess. The development of a tissue test to detect overapplication of N to rice is needed. Nitrogen response trials arranged in a randomized complete block design were established to identify a critical concentration threshold for a tissue test to detect excess N availability. Rice stalk samples were collected from 0 to 20 cm above the soil within 5 days of harvest and analyzed for NO3 −-N concentration. Two models were fit to the data to represent rice grain …


12th International Conference On Business, Technology And Innovation 2023, University For Business And Technology - Ubt Oct 2023

12th International Conference On Business, Technology And Innovation 2023, University For Business And Technology - Ubt

UBT International Conference

Welcome to IC – UBT 2023

UBT Annual International Conference is the 12th international interdisciplinary peer reviewed conference which publishes works of the scientists as well as practitioners in the area where UBT is active in Education, Research and Development. The UBT aims to implement an integrated strategy to establish itself as an internationally competitive, research-intensive university, committed to the transfer of knowledge and the provision of a world-class education to the most talented students from all background. The main perspective of the conference is to connect the scientists and practitioners from different disciplines in the same place and make …


Are Plant–Soil Feedbacks Caused By Many Weak Microbial Interactions?, Julia K. Aaronson, Andrew Kulmatiski, Leslie E. Forero, Josephine Grenzer, Jeanette M. Norton Oct 2023

Are Plant–Soil Feedbacks Caused By Many Weak Microbial Interactions?, Julia K. Aaronson, Andrew Kulmatiski, Leslie E. Forero, Josephine Grenzer, Jeanette M. Norton

Wildland Resources Student Research

We used high-throughput sequencing and multivariate analyses to describe soil microbial community composition in two four-year field plant–soil feedback (PSF) experiments in Minnesota, USA and Jena, Germany. In descending order of variation explained, microbial community composition differed between the two study sites, among years, between bulk and rhizosphere soils, and among rhizosphere soils cultivated by different plant species. To try to identify soil organisms or communities that may cause PSF, we correlated plant growth responses with the microbial community composition associated with different plants. We found that plant biomass was correlated with values on two multivariate axes. These multivariate axes …


Modification Of Chitosan Using Glycidyl Methacrylate-Grafted Cellulose (Gmagcell/ Chi) For Methylene Blue Adsorption, Haya Fathana, Rahmi Rahmi, Muhammad Adlim, Surya Lubis Oct 2023

Modification Of Chitosan Using Glycidyl Methacrylate-Grafted Cellulose (Gmagcell/ Chi) For Methylene Blue Adsorption, Haya Fathana, Rahmi Rahmi, Muhammad Adlim, Surya Lubis

Karbala International Journal of Modern Science

In this study, a glycidyl methacrylate-grafted cellulose/chitosan (GMA-g-Cell/Chi) film was successfully prepared and characterized. GMA-g-Cell was obtained from the grafting process of cellulose derived from sugarcane bagasse using glycidyl methacrylate (GMA). The cellulose grafting process was obtained using 20% GMA for 4 hours at 60oC. The percentage of grafting (PG) and grafting efficiency (GE) values for these parameters were 516 and 60.28%, respectively. Chitosan was modified with GMA-g-Cell and has higher adsorption capacity and tensile strength than chitosan. The adsorption kinetics tend to follow the pseudo-first-order adsorption kinetics model, with Qe and k1 being 7 mg/g and 0.067 g/mg. minute. …


2023 Celebration Of Scholarship, Creativity, And Engagement, Todd Bruns, Diane Highland Oct 2023

2023 Celebration Of Scholarship, Creativity, And Engagement, Todd Bruns, Diane Highland

Programs

Annually, Eastern Illinois University honors faculty achievements in the areas of research, creativity, and engagement. This year, the list of faculty accomplishments is again truly impressive, reflective of an engaged faculty committed to excellence and the ongoing pursuit and creation of knowledge. A number of these accomplishments occurred in collaboration with our students, who serve as co-authors, research assistants and partners in bringing these activities to fruition. Indeed, in some cases these professional ambitions transpired over the course of many years, and are a testament to persistence and tenacity--ensuring that these works extend to a broader community of scholars that …


Statistical And Machine Learning Approaches To Describe Factors Affecting Preweaning Mortality Of Piglets, Md Towfiqur Rahman, Tami M. Brown-Brandl, Gary A. Rohrer, Sudhendu R. Sharma, Vamsi Manthena, Yeyin Shi Oct 2023

Statistical And Machine Learning Approaches To Describe Factors Affecting Preweaning Mortality Of Piglets, Md Towfiqur Rahman, Tami M. Brown-Brandl, Gary A. Rohrer, Sudhendu R. Sharma, Vamsi Manthena, Yeyin Shi

Department of Biological Systems Engineering: Papers and Publications

High preweaning mortality (PWM) rates for piglets are a significant concern for the worldwide pork industries, causing economic loss and well-being issues. This study focused on identifying the factors affecting PWM, overlays, and predicting PWM using historical production data with statistical and machine learning models. Data were collected from 1,982 litters from the United States Meat Animal Research Center, Nebraska, over the years 2016 to 2021. Sows were housed in a farrowing building with three rooms, each with 20 farrowing crates, and taken care of by well-trained animal caretakers. A generalized linear model was used to analyze the various sow, …


Palestinian Journalists' Trends Towards Freelance Platforms As An Alternative Of Traditional Work In Journalistic Work And The Gratifications Achieved "A Field Study", Amin Wafi Prof. Oct 2023

Palestinian Journalists' Trends Towards Freelance Platforms As An Alternative Of Traditional Work In Journalistic Work And The Gratifications Achieved "A Field Study", Amin Wafi Prof.

Middle East Journal of Communication Studies

This study aims to identify the trends of media students towards the use of digital freelancer platforms in media work as an alternative to traditional journalism by knowing the degree of interest of students in digital freelancer platforms. The degree to which they are exposed، the reasons for exposure، the most important subjects to which they are exposed، the most important platforms they pursue، the most important skill needs، motivations، and stimuli that drive them to deal with freelancer platforms as an alternative to traditional journalism. It is a descriptive study and applied the survey curriculum in the framework of …


Book Review: Australian Caves And Karst Systems, John Webb, Susan White, Garry K. Smith, Jo De Waele Oct 2023

Book Review: Australian Caves And Karst Systems, John Webb, Susan White, Garry K. Smith, Jo De Waele

International Journal of Speleology

No abstract provided.


Wics Conference 2023: Moving Beyond The Ordinary, Daren Redfearn, Daran Rudnick Oct 2023

Wics Conference 2023: Moving Beyond The Ordinary, Daren Redfearn, Daran Rudnick

WICS Conferences

The theme of this year’s WICS Conference is Moving Beyond the Ordinary with the goal of addressing Team Science. Our vision is to provide opportunities and connection points among IANR faculty to leverage their individual knowledge, skills, abilities, and passions. A tendency for land grant institutions is often to deliver information biased from a single, primary discipline and perspective. This is known as comfort zone mega bias and has been defined as “the tendency to drag a problem into our comfort zone and solve the problem that we know how to solve, rather than solving the problem that needs to …


Substrate Specificity In Abc Transporters Using The E. Coli Methionine Import System, John H. Guardado Oct 2023

Substrate Specificity In Abc Transporters Using The E. Coli Methionine Import System, John H. Guardado

Featured Student Work

ATP-binding cassette (ABC) transporters use the energy of ATP to move substrates across membranes against a concentration gradient. The role of ABC transporters is crucial in several essential cellular functions and mutations in ABC transporters in humans have been linked to several conditions, including cystic fibrosis, liver disease, and diabetes. Despite their central roles in homeostasis, the mechanism of ABC transporters remains poorly understood. Our research is focused on studying an ABC importer in E. coli, as a model system, to examine the mechanism of substrate specificity and transport. The bacterial methionine import system consists of a membrane-embedded transporter, MetNI, …


Nutritional Challenges Of Substituting Farmed Animals For Wild Fish In Human Diets, Sebastian A. Heilpern, Rafael M. Almeida, Kathryn J. Fiorella, Alexander S. Flecker, Demetra Williams, Peter B. Mcintyre Oct 2023

Nutritional Challenges Of Substituting Farmed Animals For Wild Fish In Human Diets, Sebastian A. Heilpern, Rafael M. Almeida, Kathryn J. Fiorella, Alexander S. Flecker, Demetra Williams, Peter B. Mcintyre

School of Earth, Environmental, and Marine Sciences Faculty Publications and Presentations

Wild fisheries provide billions of people with a key source of multiple essential nutrients. As fisheries plateau or decline, nourishing more people will partially rely on shifting consumption to farmed animals. The environmental implications of transitions among animal-sourced foods have been scrutinized, but their nutritional substitutability remains unclear. We compared concentrations of six essential dietary nutrients across >5000 species of wild fishes, aquaculture, poultry and livestock species, representing >65% of animals consumed globally. Wild fishes are both more nutrient-dense and variable than farmed animals; achieving recommended intake of all nutrients with farmed species could require consuming almost four times more …


Impacts Of Forest Fire Carbon Emission And Mitigation Strategies, Zhihua Liu, Hongshi He, Wenru Xu, Yu Liang, Jiaojun Zhu, Geoff G. Wang, Wei Wei, Zifa Wang, Yongming Han Oct 2023

Impacts Of Forest Fire Carbon Emission And Mitigation Strategies, Zhihua Liu, Hongshi He, Wenru Xu, Yu Liang, Jiaojun Zhu, Geoff G. Wang, Wei Wei, Zifa Wang, Yongming Han

Bulletin of Chinese Academy of Sciences (Chinese Version)

Between 2000 and 2020, global wildfires contributed to approximately 7.32 billion metric tons of carbon dioxide (CO2) emissions, accounting for about 18.5% of CO2 emissions released from fossil fuels. Forest fires alone contributed to around 20% of these wildfire emissions, approximately 1.5 billion metric tons of CO2. Due to climate change and human activities, carbon emissions from forest fires are on the rise. For example, the 2023 Canadian fires have emitted 1.268 billion metric tons of CO2 up to August 29th. Despite the simultaneous increase in forest area and volume, the frequency and extent of forest fires have significantly decreased …


Determining The Ideal Concentrations Of Ethanol And Propylene Glycol In Ethosomes For Transdermal Delivery Of Vitamin D3, Rebecca Conner Oct 2023

Determining The Ideal Concentrations Of Ethanol And Propylene Glycol In Ethosomes For Transdermal Delivery Of Vitamin D3, Rebecca Conner

Harrisburg University Research Symposium: Highlighting Research, Innovation, & Creativity

Vitamin D3 is an important chemical in the human body, however, many Americans have low levels of this vitamin. There are plenty of oral supplementations for Vitamin D3 deficiency, but those of older age and busy schedules may struggle to meet the minimum requirement. A recently developed ethosomal transmembrane delivery system (Touitou, 2000), similar to liposomes but also containing ethanol, allows users to apply a gel dermally and have the desired drug or active ingredient reach the bloodstream faster. However, there is considerable variation in the concentration of ethanol and permeation enhancers used. Using an affordable method to …


10.16.2023, Liz Williamson Oct 2023

10.16.2023, Liz Williamson

ORSP Newsletter

No abstract provided.


Fortifying Iot Against Crimpling Cyber-Attacks: A Systematic Review, Usman Tariq, Irfan Ahmed, Muhammad Attique Khan, Ali Kashif Bashir Oct 2023

Fortifying Iot Against Crimpling Cyber-Attacks: A Systematic Review, Usman Tariq, Irfan Ahmed, Muhammad Attique Khan, Ali Kashif Bashir

Karbala International Journal of Modern Science

The rapid growth and increasing demand for Internet of Things (IoT) devices in our everyday lives create exciting opportunities for human involvement, data integration, and seamless automation. This fully interconnected ecosystem considerably impacts crucial aspects of our lives, such as transportation, healthcare, energy management, and urban infrastructure. However, alongside the immense benefits, the widespread adoption of IoT also brings a complex web of security threats that can influence society, policy, and infrastructure conditions. IoT devices are particularly vulnerable to security violations, and industrial routines face potentially damaging vulnerabilities. To ensure a trustworthy and robust security framework, it is crucial to …


New Quantum Genetic Algorithm Based On Constrained Quantum Optimization, Mohammed R. Almasaoodi, Abdulbasit M. A. Sabaawi, Sara El Gaily, Sándor Imre Oct 2023

New Quantum Genetic Algorithm Based On Constrained Quantum Optimization, Mohammed R. Almasaoodi, Abdulbasit M. A. Sabaawi, Sara El Gaily, Sándor Imre

Karbala International Journal of Modern Science

In the past decades, many quantum algorithms have been developed. The main obstacle that prevents the widespread implementation of these algorithms is the small size of the available quantum computer in terms of qubits. Blind Quantum Computation (BQC) holds the promise of handling this issue by delegating computation to quantum remote devices. Here, we introduce a novel Constrained Quantum Genetic Algorithm (CQGA) that selects the optimum extreme (minimum or maximum) value of a constrained goal function (or a vast unsorted database) with very low computational complexity. Since the convergence speed to the optimal solution for the Constrained Classical Genetic Algorithm …


Deep Learning For Plant Bioinformatics: An Explainable Gradient-Based Approach For Disease Detection, Muhammad Shoaib, Babar Shah, Nasir Sayed, Farman Ali, Rafi Ullah, Irfan Hussain Oct 2023

Deep Learning For Plant Bioinformatics: An Explainable Gradient-Based Approach For Disease Detection, Muhammad Shoaib, Babar Shah, Nasir Sayed, Farman Ali, Rafi Ullah, Irfan Hussain

All Works

Emerging in the realm of bioinformatics, plant bioinformatics integrates computational and statistical methods to study plant genomes, transcriptomes, and proteomes. With the introduction of high-throughput sequencing technologies and other omics data, the demand for automated methods to analyze and interpret these data has increased. We propose a novel explainable gradient-based approach EG-CNN model for both omics data and hyperspectral images to predict the type of attack on plants in this study. We gathered gene expression, metabolite, and hyperspectral image data from plants afflicted with four prevalent diseases: powdery mildew, rust, leaf spot, and blight. Our proposed EG-CNN model employs a …


Widespread Dominance Of Methane Ebullition Over Diffusion In Freshwater Aquaculture Ponds, Renske J. E. Vroom, Sarian Kosten, Rafael M. Almeida, Raquel Mendonça, Ive S. Muzitano, Icaro Barbosa, Jonas Nasário, Ernandes S. Oliveira Junior, Alexander S. Flecker, Nathan Barros Oct 2023

Widespread Dominance Of Methane Ebullition Over Diffusion In Freshwater Aquaculture Ponds, Renske J. E. Vroom, Sarian Kosten, Rafael M. Almeida, Raquel Mendonça, Ive S. Muzitano, Icaro Barbosa, Jonas Nasário, Ernandes S. Oliveira Junior, Alexander S. Flecker, Nathan Barros

School of Earth, Environmental, and Marine Sciences Faculty Publications and Presentations

An ever-increasing demand for protein-rich food sources combined with dwindling wild fish stocks has caused the aquaculture sector to boom in the last two decades. Although fishponds are potentially strong emitters of the greenhouse gas methane (CH4), little is known about the magnitude, pathways, and drivers of these emissions. We measured diffusive CH4 emissions at the margin and in the center of 52 freshwater fishponds in Brazil. In a subset of ponds (n = 31) we additionally quantified ebullitive CH4 fluxes and sampled water and sediment for biogeochemical analyses. Sediments (n = 20) were …


On The Origins Of Life — Modelling The Initial Stages Of Complex Coacervate Droplet Formation, Yixuan Wu Oct 2023

On The Origins Of Life — Modelling The Initial Stages Of Complex Coacervate Droplet Formation, Yixuan Wu

Western Libraries Undergraduate Research Awards (WLURAs)

Coacervate droplets are considered a plausible model for protocells due to their spontaneous formation and ability to compartmentalize macromolecules such as nucleic acid and peptides. Although experimental studies have observed and synthesized coacervates under different laboratory conditions, little is known about their structure. Here we present atomistic molecular dynamic simulations of the interactions between water and oppositely charged proteins that cluster together in a salt-dependent process. Observing such liquid-liquid phase separation on an atomic level would serve as a model for the initial stages of complex coacervate formation. Molecular Dynamics was used to compute diagnostics of the structure at different …