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Coupling Chemical And Genomic Data Of Marine Sediment-Associated Bacteria For Metabolite Profiling, Stephanie P. Suarez 2023 University of South Florida

Coupling Chemical And Genomic Data Of Marine Sediment-Associated Bacteria For Metabolite Profiling, Stephanie P. Suarez

USF Tampa Graduate Theses and Dissertations

Marine sediment-associated bacteria house many new and exciting novel secondary metabolites. These metabolites can be tested for bioactivity against various types of cancer and fungal, bacterial, and viral infections. In this thesis, we investigated the combination of biosynthetic gene cluster information with mass spectra to perform a chemical profiling of sediment- associated bacteria. Furthermore, we utilized a scoring technique to provide an identification and confidence score to each annotated compound. The sediment was collected from east Arthur Harbor, Palmer Station, Antarctica, at depths of 20 ft and 60 ft. After plating on agar, 52 unique bacterial strains were isolated, with …


Impact Of Common Face Mask Regeneration Processes On The Structure, Morphology And Aerosol Filtration Efficiency Of Porous Flat Sheet Polysulfone Membranes Fabricated Via Nonsolvent-Induced Phase Separation (Nips), Ebuka A. Ogbuoji, Anastasia Myers, Amber Haycraft, Isabel Escobar 2023 University of Kentucky

Impact Of Common Face Mask Regeneration Processes On The Structure, Morphology And Aerosol Filtration Efficiency Of Porous Flat Sheet Polysulfone Membranes Fabricated Via Nonsolvent-Induced Phase Separation (Nips), Ebuka A. Ogbuoji, Anastasia Myers, Amber Haycraft, Isabel Escobar

UK CARES Faculty Publications

The potential of flat sheet polymeric membranes as a sustainable solution for reusable facemask filters was investigated by analyzing the effect of common face mask regeneration processes on polysulfone (PSf) membranes’ structure, morphology, and aerosol filtration efficiency. The impact of regeneration processes, such as isopropanol (IPA), detergent and bleach washes, and ultraviolet light exposure, was for the first time compared between surgical masks, N95 masks and flat sheet PSf membranes. The PSf membranes were fabricated via non- solvent induced phase separation (NIPS), and demonstrated a higher particulate filtration efficiency (99.06 ± 1.38%) for PM0.3 i.e., particulate matter of 0.3 μm …


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 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

Department of Chemistry: 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 …


Determining The Ideal Concentrations Of Ethanol And Propylene Glycol In Ethosomes For Transdermal Delivery Of Vitamin D3, Rebecca Conner 2023 Harrisburg University of Science and Technology

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 …


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 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

Department of Chemistry: 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 …


Raman Spectral Cytopathology For Cancer Diagnostic Applications, Fiona Lyng, Damian Traynor, Isha Behl, Declan O'Dea, Hugh Byrne 2023 Technological University Dublin

Raman Spectral Cytopathology For Cancer Diagnostic Applications, Fiona Lyng, Damian Traynor, Isha Behl, Declan O'Dea, Hugh Byrne

Books/Book Chapters

Histopathology is currently regarded as the “gold standard” patient sampling technique for cancer diagnostics. It involves extraction of a tissue sample, or biopsy, which is then sectioned and stained for evaluation by a pathologist [1]. Cytopathology, on the other hand, is the field of disease diagnosis at the cellular level [2], necessitating only the microscopic evaluation of samples of cells which can be harvested by less invasive methods such as exfoliative brushing, needle probes or from biofluids. Based on the identification of abnormalities in cellular appearance, cytopathology is currently widely used to aid in the screening of cancer, as well …


The Impact Of Lead Corrosion Relating To The Contamination Of Drinking Water In Canada And In Indigenous Communities., Jessie A. McDonald 2023 Western University

The Impact Of Lead Corrosion Relating To The Contamination Of Drinking Water In Canada And In Indigenous Communities., Jessie A. Mcdonald

Corrosion Research

No abstract provided.


Women As A Force Multiplier For Bringing Nuclear Forensic Capabilities To The International Stage, Heather M. Dion, Caterina Fox, Kim Knight, Anne Phillip 2023 Los Alamos National Laboratory

Women As A Force Multiplier For Bringing Nuclear Forensic Capabilities To The International Stage, Heather M. Dion, Caterina Fox, Kim Knight, Anne Phillip

International Journal of Nuclear Security

In 2009, the US Department of Energy National Nuclear Security Administration’s (NNSA’s) Defense Nuclear Nonproliferation Program initiated a new nuclear forensics outreach effort under its Confidence Building Measures Program. Little did they know that the timing could not have been better. This article focuses on the early years (2009–2015) of the NNSA’s international nuclear forensics outreach, specifically the efforts and experiences of the women who helped establish this program, building it from a fledgling, bilateral effort into an enduring technical capacity provider engaging with dozens of countries and multilateral organizations. At the onset of the program, nuclear forensics was an …


Strengthening Brain Research In Africa, Abdullahi Tunde Aborode, Nike Jesutofunmi Idowu, Samuel Tundealao, Joseph Jaiyeola, Ogunware Adedayo Emmanuel 2023 Healthy Africans Platform

Strengthening Brain Research In Africa, Abdullahi Tunde Aborode, Nike Jesutofunmi Idowu, Samuel Tundealao, Joseph Jaiyeola, Ogunware Adedayo Emmanuel

Department of Chemistry: 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.


Equine In Vivo Metabolite Profiling Of The Selective Androgen Receptor Modulator Lgd-3303 For Doping Control, Malin Nilsson Broberg, Heather Knych, Ulf Bondesson, Curt Pettersson, Börje Tidstedt, Scott Stanley, Mario Thevis, Mikael Hedeland 2023 Uppsala University

Equine In Vivo Metabolite Profiling Of The Selective Androgen Receptor Modulator Lgd-3303 For Doping Control, Malin Nilsson Broberg, Heather Knych, Ulf Bondesson, Curt Pettersson, Börje Tidstedt, Scott Stanley, Mario Thevis, Mikael Hedeland

UK CARES Faculty Publications

LGD-3303 is a Selective Androgen Receptor Modulator (SARM) that is prohibited in both equine and human sports due to its anabolic properties. The aim of this study was to investigate the equine in vivo metabolite profile of LGD-3303 and identify drug metabolites that can be suitable as new and improved analytical targets for equine doping control. This was performed by an oral administration of 0.05 mg⋅kg 1 LGD-3303 to horses, where blood and urine samples were collected up to 96 h after administration. The in vivo samples consisting of plasma, urine and hydrolyzed urine were analyzed utilizing ultra-high performance liquid …


Speciation Of Elements Via A Sequential Extraction Procedure In Municipal Wastewater Biosolids From Three Rural Wwtp In East Texas (Usa), Kefa K. Onchoke 2023 Stephen F Austin State University

Speciation Of Elements Via A Sequential Extraction Procedure In Municipal Wastewater Biosolids From Three Rural Wwtp In East Texas (Usa), Kefa K. Onchoke

Faculty Publications

In this data article, the bioavailability of elements in municipal wastewater sludge (also known as biosolids) in samples collected from three treatment plants in East Texas, USA was evaluated. Although detailed speciation of the metals were assessed by using inductively coupled plasma optical spectroscopy (ICP-OES), and were discussed in the research article titled “Evaluating bioavailability of elements in municipal wastewater sludge (Biosolids) from three rural wastewater treatment plants in East Texas (USA) by a sequential extraction procedure” [1], this report presents the absolute raw concentrations and fractionations of the 26 metals from the biosolids (Nacogdoches Wastewater Sludge, Lufkin Wastewater Sludge, …


Effects Of Traps On Photo-Induced Interfacial Charge Transfer Of Ag-Tio2: Photoelectrochemical, Electrochemical And Spectroscopic Characterizations, Zhi-Hao Liang, Jia-Zheng Wang, Dan Wang, Jian-Zhang Zhou, De-Yin Wu 2023 State Key Laboratory of Physical Chemistry of Solid Surfaces and College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian, China

Effects Of Traps On Photo-Induced Interfacial Charge Transfer Of Ag-Tio2: Photoelectrochemical, Electrochemical And Spectroscopic Characterizations, Zhi-Hao Liang, Jia-Zheng Wang, Dan Wang, Jian-Zhang Zhou, De-Yin Wu

Journal of Electrochemistry

In the field of metal-semiconductor composites based plasmon-mediated chemical reactions, a clear and in-depth understanding of charge transfer and recombination mechanisms is crucial for improving plasmonic photocatalytic efficiency. However, the plasmonic photocatalytic reactions at the solid-liquid interface of the electrochemical systems involve complex processes with multiple elementary steps, multiple time scales, and multiple controlling factors. Herein, the combination of photoelectrochemical and electrochemical as well as spectroscopic characterizations has been successfully used to study the effects of traps on the photo-induced interfacial charge transfer of silver-titanium dioxide (Ag-TiO2). The results show that the increase of surface hydroxyl groups may …


Hydrodynamic Voltammetry Of Fe2+/3+ In Aqueous Deep Eutectic Solvents Towards Redox Flow Batteries, Desiree Mae Prado, Xiaochen Shen, Robert Savinell, Clemens Burda 2023 Case Western Reserve University

Hydrodynamic Voltammetry Of Fe2+/3+ In Aqueous Deep Eutectic Solvents Towards Redox Flow Batteries, Desiree Mae Prado, Xiaochen Shen, Robert Savinell, Clemens Burda

Faculty Scholarship

Deep eutectic solvents (DESs) have recently attracted much attention as potential green electrolyte solvents for redox flow batteries. DESs are considered not only as environmentally sustainable but also economically attractive electrolytes because they can be resourced from biological feedstock (alcohols, urea, choline) and are earth-abundant and of low toxicity. Despite these advantages, DESs still have limitations in important aspects such as reactant and ion transport, which is inhibited due to hydrogen-bonding-induced viscosity. Thus, improving the transport properties of redox species in DESs is essential. In addition, we explore the quantitative addition of water to ethaline (a 1:2 choline chloride: ethylene …


Introducing High School Biology Students To Biochemistry With A Short, Content-Oriented Module, Archer Harrold, Allison Cruikshank, Bryan Penas, Rebecca Roston 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

Department of Chemistry: 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, …


The Synthesis And Optimization Of Conductive Carbons From Renewable Resources For Supercapacitor Applications, Iris Denmark 2023 University of Arkansas Little Rock

The Synthesis And Optimization Of Conductive Carbons From Renewable Resources For Supercapacitor Applications, Iris Denmark

Theses and Dissertations

The use of fossil fuels has played a pivotal role in the evolution of energy storage devices and the generation of electricity. With that, we have now entered an era in which we have become primarily dependent on these non-renewable resources which have become increasingly scarce overtime. This has driven us toward a pertinent demand for alternative sources of energy. There are various forms of alternative energy in which biomass is the most used. Carbon is becoming the most commonly used material for energy applications due to its versatility and bioavailability, including that which is sourced from biomass. Herein is …


Changes In An Enzyme Ensemble During Catalysis Observed By High Resolution Xfel Crystallography, Nathan J. Smith, Medhanjali Dasgupta, David C. Wych, Cole Dolamore, Raymond G. Sierra, Stella Lisova, Darya Marchany-Rivera, Aina E. Cohen, Sébastien Boutet, Mark S. Hunter, Christopher Kupitz, Frédéric Poitevin, Frank R. Moss III, Aaron S. Brewster, Nicholas K. Sauter, Iris D. Young, Alexander M. Wolff, Virendra K. Tiwari, Nivesh Kumar, David B. Berkowitz, Ryan G. Hadt, Michael C. Thompson, Alec H. Follmer, Mark A. Wilson 2023 University of Nebraska-Lincoln

Changes In An Enzyme Ensemble During Catalysis Observed By High Resolution Xfel Crystallography, Nathan J. Smith, Medhanjali Dasgupta, David C. Wych, Cole Dolamore, Raymond G. Sierra, Stella Lisova, Darya Marchany-Rivera, Aina E. Cohen, Sébastien Boutet, Mark S. Hunter, Christopher Kupitz, Frédéric Poitevin, Frank R. Moss Iii, Aaron S. Brewster, Nicholas K. Sauter, Iris D. Young, Alexander M. Wolff, Virendra K. Tiwari, Nivesh Kumar, David B. Berkowitz, Ryan G. Hadt, Michael C. Thompson, Alec H. Follmer, Mark A. Wilson

Department of Chemistry: Faculty Publications

Enzymes populate ensembles of structures with intrinsically different catalytic proficiencies that are difficult to experimentally characterize. We use time-resolved mix-and-inject serial crystallography (MISC) at an X-ray free electron laser (XFEL) to observe catalysis in a designed mutant (G150T) isocyanide hydratase (ICH) enzyme that enhances sampling of important minor conformations. The active site exists in a mixture of conformations and formation of the thioimidate catalytic intermediate selects for catalytically competent substates. A prior proposal for active site cysteine charge-coupled conformational changes in ICH is validated by determining structures of the enzyme over a range of pH values. A combination of large …


On The Boundary Of The Cosmos, Daniel Linford 2023 University of Nebraska-Lincoln

On The Boundary Of The Cosmos, Daniel Linford

Department of Chemistry: Faculty Publications

Intuitively, the totality of physical reality – the Cosmos – has a beginning only if (i) all parts of the Cosmos agree on the direction of time (the Direction Condition) and (ii) there is a boundary to the past of all non-initial spacetime points such that there are no spacetime points to the past of the boundary (the Boundary Condition). Following a distinction previously introduced by J. Brian Pitts, the Boundary Condition can be conceived of in two distinct ways: either topologically, i.e., in terms of a closed boundary, or metrically, i.e., in terms of the Cosmos having a finite …


On The Chemistry Of Aqueous Ammonium Acetate Droplets During Native Electrospray Ionization Mass Spectrometry, Lars Konermann, Zeyuan Liu, Yousef Haidar, Methew J. Willians, Nicholas A. Bainbridge 2023 konermann

On The Chemistry Of Aqueous Ammonium Acetate Droplets During Native Electrospray Ionization Mass Spectrometry, Lars Konermann, Zeyuan Liu, Yousef Haidar, Methew J. Willians, Nicholas A. Bainbridge

Chemistry Publications

Ammonium acetate (NH4Ac) is a widely used solvent additive in native electrospray ionization (ESI) mass spectrometry. NH4Ac can undergo proton transfer to form ammonia and acetic acid (NH4+ + Ac- → NH3 + HAc). The volatility of these products ensures that electrosprayed ions are free of undesired adducts. NH4Ac dissolution in water yields pH 7, providing “physiological” conditions. However, NH4Ac is not a buffer at pH 7 because NH4+ and Ac- are not a conjugate acid/base pair (L. Konermann, J. Am. Soc. Mass Spectrom. 2017 …


Differential Membrane Binding Of Α/Β-Peptide Foldamers: Implications For Cellular Delivery And Mitochondrial Targeting, Tzong-Hsien Lee, James W. Checco, Tess Malcolm, Chelcie H. Eller, Ronald T. Raines, Samuel H. Gellman, Erinna F. Lee, W. Douglas Fairlie, Marie-Isabel Aguilar 2023 Monash University

Differential Membrane Binding Of Α/Β-Peptide Foldamers: Implications For Cellular Delivery And Mitochondrial Targeting, Tzong-Hsien Lee, James W. Checco, Tess Malcolm, Chelcie H. Eller, Ronald T. Raines, Samuel H. Gellman, Erinna F. Lee, W. Douglas Fairlie, Marie-Isabel Aguilar

Department of Chemistry: Faculty Publications

The intrinsic pathway of apoptosis is regulated by the Bcl-2 family of proteins. Inhibition of the anti-apoptotic members represents a strategy to induce apoptotic cell death in cancer cells. We have measured the membrane binding properties of a series of peptides, including modified α/β-peptides, designed to exhibit enhanced membrane permeability to allow cell entry and improved access for engagement of Bcl-2 family members. The peptide cargo is based on the pro-apoptotic protein Bim, which interacts with all anti-apoptotic proteins to initiate apoptosis. The α/β-peptides contained cyclic β-amino acid residues designed to increase their stability and membrane-permeability. Dual polarisation interferometry was …


Novel Applications Of Enhanced Raman Spectroscopy For Drug Discovery, Mrna Vaccine Stability Assessment, And Forensic Purposes, Lamyaa M. Almehmadi 2023 University at Albany, State University of New York

Novel Applications Of Enhanced Raman Spectroscopy For Drug Discovery, Mrna Vaccine Stability Assessment, And Forensic Purposes, Lamyaa M. Almehmadi

Legacy Theses & Dissertations (2009 - 2024)

The main focus of this dissertation was to apply enhanced Raman spectroscopy techniques to a variety of applications, ranging from drug discovery, mRNA vaccine stability, to forensic analysis. There are five chapters in this dissertation. The first chapter discusses the basics of enhanced Raman spectroscopy techniques and their relevance. The second chapter is focused on the use of surface-enhanced Raman spectroscopy (SERS) for drug discovery. The third chapter introduces the use of deep ultraviolet resonance Raman (DUVRR) spectroscopy for the detection of mRNA degradation in a mRNA vaccine model. The fourth chapter introduces the use of stand-off Raman spectroscopy in …


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