University of Arkansas, Fayetteville
Taylor University
Virginia Commonwealth University
University of Nebraska-Lincoln
CUNY John Jay College
Duquesne University
University of Central Florida
The Reveal: A Technical Study And Conservation Treatment Of An Overpaint Portrait,
2024
SUNY University at Buffalo
The Reveal: A Technical Study And Conservation Treatment Of An Overpaint Portrait, Camille Ferrer
Art Conservation Master's Projects
A severely damaged 19th-century oil painting depicting a portrait of a woman was treated at Patricia H. and E. Garman Art Conservation Department. A typed letter provided by the owner mentioned that it has been previously restored yet returned with unsatisfactory results. After further examination, the painting appeared to have been previously treated multiple times by different people. There was overpaint distinctly present on the face and later discovered to be present overall. The full state of condition of the painting was initially unknown due to the sum of the surface being overpainted. However, there were evidence of paint loss …
Development Of An Enhanced Sampling Workflow To Accelerate Molecular Docking With Sparse Biophysical Information,
2024
Western Kentucky University
Development Of An Enhanced Sampling Workflow To Accelerate Molecular Docking With Sparse Biophysical Information, Zachary Stichter
Masters Theses & Specialist Projects
Rapid docking of flexible biological macromolecules remains a significant open challenge in protein structure determination. While rigid docking is relatively simple with toolkits such as TagDock, a key obstacle to rapid flexible docking is the complexity and roughness of the free energy surface associated with protein conformational motion (often termed the many-minima problem), meaning conventional molecular dynamics methods do not effectively sample protein conformations near the interaction complex in accessible timescales. Methods such as metadynamics and replica exchange molecular dynamics exist to ameliorate this obstacle, yet these methods use nonphysical biases or random swaps to enhance sampling. In contrast, high …
Survey Of The Performance Of 5 Nm Goldnanoparticles Within An Ssdna-Stabilizedbiosensor For The Detection Of Hg2+,
2024
Olivet Nazarene University
Survey Of The Performance Of 5 Nm Goldnanoparticles Within An Ssdna-Stabilizedbiosensor For The Detection Of Hg2+, Madalyn J. Zagajowski
ELAIA
The formation of a fluorescent biosensor complex consisting of 5 nm diameter gold nanoparticles (AuNPs) and single-stranded DNA (ssDNA) was conducted using a low-cost, efficient binding method. The analytical potential for the complex to detect mercuric ions (Hg2+) in an aqueous solution was assessed through the collection of UV-vis and fluorescence spectrometry data for the AuNP-ssDNA complex. The researcher aimed to investigate this potential in case the nanoparticles formed utilizing this method were too small to result in detectable fluorescence. To eliminate this possibility, the complex synthesized from this specific method was qualitatively evaluated to determine if it consistently and …
Β-Sheets Mediate The Conformational Change And Allosteric Signal Transmission Between The Aslov2 Termini,
2024
Southern Methodist University
Β-Sheets Mediate The Conformational Change And Allosteric Signal Transmission Between The Aslov2 Termini, Sian Xiao, Mayar Terek Ibrahim, Gennady M. Verkhivker, Brian D. Zoltowski, Peng Tao
Mathematics, Physics, and Computer Science Faculty Articles and Research
Avena sativa phototropin 1 light-oxygen-voltage 2 domain (AsLOV2) is a model protein of Per-Arnt-Sim (PAS) superfamily, characterized by conformational changes in response to external environmental stimuli. This conformational change begins with the unfolding of the N-terminal A'α helix in the dark state followed by the unfolding of the C-terminal Jα helix. The light state is characterized by the unfolded termini and the subsequent modifications in hydrogen bond patterns. In this photoreceptor, β-sheets are identified as crucial components for mediating allosteric signal transmission between the two termini. Through combined experimental and computational investigations, the Hβ …
De Novo Drug Design Using Transformer-Based Machine Translation And Reinforcement Learning Of An Adaptive Monte Carlo Tree Search,
2024
Chapman University
De Novo Drug Design Using Transformer-Based Machine Translation And Reinforcement Learning Of An Adaptive Monte Carlo Tree Search, Dony Ang, Cyril Rakovski, Hagop S. Atamian
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
The discovery of novel therapeutic compounds through de novo drug design represents a critical challenge in the field of pharmaceutical research. Traditional drug discovery approaches are often resource intensive and time consuming, leading researchers to explore innovative methods that harness the power of deep learning and reinforcement learning techniques. Here, we introduce a novel drug design approach called drugAI that leverages the Encoder–Decoder Transformer architecture in tandem with Reinforcement Learning via a Monte Carlo Tree Search (RL-MCTS) to expedite the process of drug discovery while ensuring the production of valid small molecules with drug-like characteristics and strong binding affinities towards …
Group 14 Metallocene Catalysts For Carbonyl Hydroboration And Cyanosilylation,
2024
Chapman University
Group 14 Metallocene Catalysts For Carbonyl Hydroboration And Cyanosilylation, Haley J. Robertson, Mallory N. Fujiwara, Allegra L. Liberman-Martin
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
A series of six Group 14 metallocene compounds (M = Ge, Sn, Pb) were studied as catalysts for carbonyl hydroboration and cyanosilylation reactions at room temperature. Both bis(pentamethylcyclopentadienyl) and tetramethyldisiloxa[3]metallocenophane compounds were compared. The tin and lead metallocenophanes exhibited the highest reactivity in hydroboration and cyanosilylation reactions. Hammett analysis of aldehyde hydroboration provided a ρ value of 0.73, suggesting a buildup of negative charge during the turnover-limiting step, consistent with the transition state for hydride transfer to the carbonyl center. NMR studies of Lewis acidity indicate that the Ge, Sn, and Pb tetramethyldisiloxa[3]metallocenophane compounds are weak Lewis acids.
Inorganic Chemical Reasoning Skills: An Exploratory Study Into Understanding Students’ Choices And Thought Processes,
2024
Missouri State University
Inorganic Chemical Reasoning Skills: An Exploratory Study Into Understanding Students’ Choices And Thought Processes, Hannah P. Thompson
MSU Graduate Theses
Predicting the products of reactions is a fundamental skill for practicing inorganic chemists. However, the current knowledge of the strategies that students use to solve them is limited. Presumably, instructors of inorganic chemistry courses give complete-the-reaction assessment items hoping that students will use their knowledge of inorganic concepts to solve them; but it is conceivable that a successful student could use heuristics or domain general problem-solving methods. I proposed this study to determine which strategies were used by students when solving complete-the-reaction tasks in inorganic chemistry, and also to make qualitative connections between strategy and accuracy. This was done in …
Variables Affecting The Extraction Of Antioxidants In Cold And Hot Brew Coffee: A Review,
2023
Thomas Jefferson University
Variables Affecting The Extraction Of Antioxidants In Cold And Hot Brew Coffee: A Review, Brian Yust, Frank Wilkinson, Niny Rao
College of Life Sciences Faculty Papers
Coffee beans are a readily available, abundant source of antioxidants used worldwide. With the increasing interest in and consumption of coffee beverages globally, research into the production, preparation, and chemical profile of coffee has also increased in recent years. A wide range of variables such as roasting temperature, coffee grind size, brewing temperature, and brewing duration can have a significant impact on the extractable antioxidant content of coffee products. While there is no single standard method for measuring all of the antioxidants found in coffee, multiple methods which introduce the coffee product to a target molecule or reagent can be …
Enhanced Mechanical Strength Of Soybean Oil-Based Non-Isocyanate Polyurethane Adhesive For Wood Application By Introducing Nanofillers,
2023
Pittsburg State University
Enhanced Mechanical Strength Of Soybean Oil-Based Non-Isocyanate Polyurethane Adhesive For Wood Application By Introducing Nanofillers, Vatsal Chaudhari
Electronic Theses & Dissertations
Polyurethane (PU) is a versatile material that finds extensive use in various industries including bedding, construction, automotive, and packaging. Historically, this particular polymer relied significantly on petrochemical resources, a practice that was considered to have negative environmental impacts. The conventional method for preparing PU involves the use of isocyanate, which is a disadvantage due to its negative impact on the environment and human health. The resolution of this problem entails identifying an appropriate substitute for petroleum-derived products that minimize their impact on both the environment and human health. The researchers earlier utilized soybean oil, for the formulation of PUs in …
Exploring Soybean Oil-Based Polyol And Effect Of Non-Halogenated Flame Retardants In Rigid Polyurethane Foam,
2023
Pittsburg State University
Exploring Soybean Oil-Based Polyol And Effect Of Non-Halogenated Flame Retardants In Rigid Polyurethane Foam, Sahithi Kondaveeti
Electronic Theses & Dissertations
To address the increasing demand for sustainable biomaterials due to the depletion of fossil fuel resources and growing environmental concerns, a new type of biodegradable and environmentally friendly rigid polyurethane foam (RPUF) has been synthesized. These foams are derived from chemically modified soybean oil-based polyol obtained from soybean oil by epoxidation followed by a ring-opening reaction. Polyurethane foam is generally used in construction, furniture, and automobile industries but is highly flammable and releases toxic gases and smoke during combustion. In this study, a highly efficient synergistic effect halogen-free flame-retardant (FR) melamine salt, 2-carboxyethyl(phenyl)phosphinic acid melamine salt (CMA) was synthesized from …
Mutational Analysis Of The Nitrogenase Carbon Monoxide Protective Protein Cown Reveals That A Conserved C‑Terminal Glutamic Acid Residue Is Necessary For Its Activity,
2023
Chapman University
Mutational Analysis Of The Nitrogenase Carbon Monoxide Protective Protein Cown Reveals That A Conserved C‑Terminal Glutamic Acid Residue Is Necessary For Its Activity, Dustin L. Willard, Joshuah J. Arellano, Mitch Underdahl, Terrence M. Lee, Avinash S. Ramaswamy, Gabriella Fumes, Agatha Kliman, Emily Y. Wong, Cedric P. Owens
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
Nitrogenase is the only enzyme that catalyzes the reduction of nitrogen gas into ammonia. Nitrogenase is tightly inhibited by the environmental gas carbon monoxide (CO). Many nitrogen fixing bacteria protect nitrogenase from CO inhibition using the protective protein CowN. This work demonstrates that a conserved glutamic acid residue near the C-terminus of Gluconacetobacter diazotrophicus CowN is necessary for its function. Mutation of the glutamic acid residue abolishes both CowN’s protection against CO inhibition and the ability of CowN to bind to nitrogenase. In contrast, a conserved C-terminal cysteine residue is not important for CO protection by CowN. Overall, this work …
Differentiation Of Human, Dog, And Cat Hair Fibers Using Dart Tofms And Machine Learning,
2023
Southern Methodist University
Differentiation Of Human, Dog, And Cat Hair Fibers Using Dart Tofms And Machine Learning, Laura Ahumada, Erin R. Mcclure-Price, Chad Kwong, Edgard O. Espinoza, John Santerre
SMU Data Science Review
Hair is found in over 90% of crime scenes and has long been analyzed as trace evidence. However, recent reviews of traditional hair fiber analysis techniques, primarily morphological examination, have cast doubt on its reliability. To address these concerns, this study employed machine learning algorithms, specifically Linear Discriminant Analysis (LDA) and Random Forest, on Direct Analysis in Real Time time-of-flight mass spectra collected from human, cat, and dog hair samples. The objective was to develop a chemistry- and statistics-based classification method for unbiased taxonomic identification of hair. The results of the study showed that LDA and Random Forest were highly …
Development Of A Methodology For The Quantification Of Reaerosolization Of A Biological Contaminate Surrogate Particle From A Military Uniform Fabric,
2023
Air Force Institute of Technology
Development Of A Methodology For The Quantification Of Reaerosolization Of A Biological Contaminate Surrogate Particle From A Military Uniform Fabric, George Cooksey, Jeremy M. Slagley, Casey W. Cooper, Douglas Lewis, Alisha Helm
Faculty Publications
In a mass casualty medical evacuation after a bioaerosol (BA) dispersal event, a decontamination (DC) method is needed that can both decontaminate and prevent biological particle (BP) re-aerosolization (RA) of contaminated clothes. However, neither the efficacy of current DC methods nor the risk of BP RA is greatly explored in the existing literature. The goals of this study were to develop a repeatable method to quantify the RA of a biological contaminant off military uniform fabric swatches and to test the efficacy of one DC protocol (high-volume, low-pressure water) using 1 µm polystyrene latex (PSL) spheres as a surrogate. A …
Postsynthetic Modification Of The Nonanuclear Node In A Zirconium
Metal−Organic Framework For Photocatalytic Oxidation Of
Hydrocarbons,
2023
Lawrence Berkeley National Laboratory
Postsynthetic Modification Of The Nonanuclear Node In A Zirconium Metal−Organic Framework For Photocatalytic Oxidation Of Hydrocarbons, Rebecca Shu Hui Khoo, Christian Fiankor, Sizhuo Yang, Wenhui Hu, Chongqing Yang, Jingzhi Lu, Martha D. Morton, Xu Zhang, Yi Liu, Jier Huang, Jian Zhang
Chemistry Department: Faculty Publications
Heterogeneous catalysis plays an indispensable role in chemical production and energy conversion. Incorporation of transition metals into metal oxides and zeolites is a common strategy to fine-tune the activity and selectivity of the resulting solid catalysts, as either the active center or promotor. Studying the underlying mechanism is however challenging. Decorating the metal-oxo clusters with transition metals in metal−organic frameworks (MOFs) via postsynthetic modification offers a rational approach to construct well-defined structural models for better understanding of the reaction mechanism. Therefore, it is important to expand the materials scope beyond the currently widely studied zirconium MOFs consisting of Zr6 …
Carbodiimide And Isocyanate Hydroboration By A Cyclic Carbodiphosphorane Catalyst,
2023
Chapman University
Carbodiimide And Isocyanate Hydroboration By A Cyclic Carbodiphosphorane Catalyst, Ben A. Janda, Julie A. Tran, Daniel K. Chang, Gabriela C. Nerhood, O. Maduka Ogba, Allegra L. Liberman-Martin
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
We report hydroboration of carbodiimide and isocyanate substrates catalyzed by a cyclic carbodiphosphorane catalyst. The cyclic carbodiphosphorane outperformed the other Lewis basic carbon species tested, including other zerovalent carbon compounds, phosphorus ylides, an N-heterocyclic carbene, and an N-heterocyclic olefin. Hydroborations of seven carbodiimides and nine isocyanates were performed at room temperature to form N-boryl formamidine and N-boryl formamide products. Intermolecular competition experiments demonstrated the selective hydroboration of alkyl isocyanates over carbodiimide and ketone substrates. DFT calculations support a proposed mechanism involving activation of pinacolborane by the carbodiphosphorane catalyst, followed by hydride transfer and B−N bond formation.
Machine Learning‑Assisted Low‑Dimensional
Electrocatalysts Design For Hydrogen Evolution
Reaction,
2023
Luoyang Normal University
Machine Learning‑Assisted Low‑Dimensional Electrocatalysts Design For Hydrogen Evolution Reaction, Jin Li, Naiteng Wu, Jian Zhang, Hong‑Hui Wu, Kunming Pan, Yingxue Wang, Guilong Liu, Xianming Liu, Zhenpeng Yao, Qiaobao Zhang
Chemistry Department: Faculty Publications
Efficient electrocatalysts are crucial for hydrogen generation from electrolyzing water. Nevertheless, the conventional "trial and error" method for producing advanced electrocatalysts is not only cost-ineffective but also time-consuming and labor-intensive. Fortunately, the advancement of machine learning brings new opportunities for electrocatalysts discovery and design. By analyzing experimental and theoretical data, machine learning can effectively predict their hydrogen evolution reaction (HER) performance. This review summarizes recent developments in machine learning for low-dimensional electrocatalysts, including zero-dimension nanoparticles and nanoclusters, one-dimensional nanotubes and nanowires, two-dimensional nanosheets, as well as other electrocatalysts. In particular, the effects of descriptors and algorithms on screening low-dimensional electrocatalysts …
Phytochemical Constituent And Antioxidant Activity Evaluation Of Red Seaweed Eucheuma Sp.,
2023
Universitas Indonesia
Phytochemical Constituent And Antioxidant Activity Evaluation Of Red Seaweed Eucheuma Sp., Ade Arsianti
Indonesian Journal of Medical Chemistry and Bioinformatics
Oxidative stress is a condition in which there is an imbalance between production of free radicals and protective response via antioxidant system. There are endogenous and exogenous antioxidants, however as age increases, there is a reduction in endogenous antioxidant, thus the search for potential exogenous antioxidants which could be derived from natural resources are needed. Indonesia is a megabiodiversity country which has more than 30,000 species of plants and animals. Red seaweed Eucheuma sp. is one of marine macroalgae species which shows potent biological activities. This study aims to determine the phytochemical constituent and to evaluate the antioxidant activity of …
Synergistic Effect Of Nanoclay And Barium Sulfate Fillers On The Corrosion Resistance Of Polyester Powder Coatings,
2023
Western University
Synergistic Effect Of Nanoclay And Barium Sulfate Fillers On The Corrosion Resistance Of Polyester Powder Coatings, Jinbao Huang, Marshall Shuai Yang, Chengqian Xian, James Joseph Noel, Yolanda S. Hedberg, Jian Chen, Ubong Eduok, Ivan Barker, Jeffrey Daniel Henderson, Haiping Zhang, Liqin Wang, Hui Zhang, Jesse Zhu
Chemistry Publications
No abstract provided.
Strengthening Brain Research In Africa,
2023
Healthy Africans Platform
Strengthening Brain Research In Africa, Abdullahi Tunde Aborode, Nike Jesutofunmi Idowu, Samuel Tundealao, Joseph Jaiyeola, Ogunware Adedayo Emmanuel
Chemistry Department: Faculty Publications
This paper explores the emerging field of neuroscience in Africa, considering the unique genetic diversity, sociocultural determinants, and health inequalities in the continent. It presents numerous brain research initiatives, such as ABDRN, AMARI, APCDR, and H3Africa, aimed at understanding genetic and environmental factors influencing brain disorders in Africa. Despite numerous challenges like the brain drain phenomenon, inadequate infrastructure, and scarce research expertise, significant progress has been achieved. The paper proposes solutions, including international collaboration, capacity-building efforts, and policies to promote neuroscience research, to enhance the understanding of brain function and address brain-related health issues within the African context.
Introducing High School Biology Students To Biochemistry
With A Short, Content-Oriented Module,
2023
University of Nebraska- Lincoln
Introducing High School Biology Students To Biochemistry With A Short, Content-Oriented Module, Archer Harrold, Allison Cruikshank, Bryan Penas, Rebecca Roston
Chemistry Department: Faculty Publications
Many STEM disciplines are underrepresented to High School students. This is problematic as many students' decisions for college are shaped by their experiences and achievements in high school. Short content-oriented modules have been shown to encourage science identity and otherwise benefit the students' learning. Following the ASBMB's outreach protocol, we developed a short content-oriented module aimed at a high school biology classroom. Students interacted with 3D models of DNA and transcription factors while exploring structure–function relationships and introductory biochemistry topics. The high school teacher was impressed with the students' response to the module, specifically the ease with which students learned, …
