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Table Of Contents

Journal of the South Carolina Academy of Science

No abstract provided.

Regulating The Amount Of Graphene Oxide For Enhanced Capacitive Energy Storage Of Mof Derived Materials, Yong-Ji Qin, Jing-Quan Yang, Hao Wang, Mei-Ling Lian, Pei-Pei Jia, Jun Luo, Xi-Jun Liu, Jun-Feng Liu

Journal of Electrochemistry

In pursuit of more efficient and stable electrochemical energy storage materials, composite materials consisting of metal oxides and graphene oxide have garnered significant attention due to their unique structures and exceptional properties. Graphene oxide (GO), a two-dimensional material with an extremely high specific surface area and excellent conductivity, offers new possibilities for enhancing the electrochemical performance of metal oxides. In this work, we synthesized metal- organic framework (MOF) and GO composites by regulating the amount of GO, and successfully prepared composites of metal oxides supported by nitrogen-doped carbon frameworks and GO through a simple one-step calcination process. Based on the …

Ionic Liquid Enhanced Proton Transfer For Neutral Oxygen Evolution Reaction, Ming-Xing Chen, Nian Liu, Zi-He Dua, Jing Qi, Rui Cao

Journal of Electrochemistry

The development of highly active catalyst in pH-neutral media for oxygen evolution reaction (OER) is critical in the field of renewable energy storage and conversion. Nevertheless, the slow kinetics of proton-coupled electron transfer (PCET) hinders the overall OER efficiency. Herein, we report an ionic liquid (IL) modified CoSn(OH)₆ nanocubes (denoted as CoSn(OH)₆-IL), which could be prepared through a facile strategy. The modified IL would not change the structural characteristics of CoSn(OH)₆, but could effectively regulate the local proton activity near the active sites. The CoSn(OH)₆-IL exhibited higher intrinsic OER performances than the pristine …

Fabrication, Calibration, And Deployment Of A Home-Made Radiometer, Callum Flowerday, Ryan Thalman, Jaron Hansen

ScholarsArchive Data

Subfolders and Contents:

Chamber Characterization: Contains emission spectrum measured from inside the chamber with converted spectra to power and photon flux.

LED Calibration: (Each calibration file contains folders of data from each LED used in calibration)

• Cone
• Cone 2
• Dome 2
• Flat Top
• Quartz Rod
• Uniform Dome

Outside:

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Antibacterial Potential Of Tapanuli Orangutan (Pongo Tapanuliensis) Food In Batang Toru Forest Against Escherichia Coli And Salmonella Typhi, Herna Febrianty Sianipar, Wahyu Widoretno, Luchman Hakim, Rezi Rahmi Amolia, Fatchiyah Fatchiyah

Karbala International Journal of Modern Science

Diarrhea is a common disease affecting orangutans, primarily caused by Escherichia coli and Salmonella typhi bacteria. To treat this disease, antibacterial food sources are essential as therapeutic agents for orangutans. The fruits consumed by Tapanuli orangutans include Campnosperma auriculatum, Agathis borneensis, Artocarpus heterophyllus, Castanopsis argantea, and Aglaia tomentosa. This study aims to examine the amino acid and phytochemical components with potential antibacterial properties in these five fruit species and their inhibitory effects on E. coli and S. typhi growth through cell lysis, observed using a Scanning Electron Microscope (SEM). The samples were tested for amino acids, phytochemicals, vitamin C content, …

Effects Of Plasma-Activated Water On Wheat: Germination And Seedling Development, Wafaa Abdulrazzaq Abdullah, Hadeel O. Ismael, Duaa A. Uamran, Hammad R. Humud

Karbala International Journal of Modern Science

The food sector must contend with issues such as pathogen resistance to some of the available chemical agents, environmental pollution, and climate change to provide healthy food for livestock and people. The application of atmospheric pressure plasma jets (APPJs) is one potential solution for such problems. Plasma is appropriate for effective surface decontamination regarding food products and seeds, surface decontamination, and achieving improved agricultural production yields. The impact of plasma-activated water (PAW) produced by plasma jet discharge (PJD) system on in vitro-cultivated wheat seeds is examined in this work. For this aim, a plasma jet system was constructed with a …

Design And Investigation Of Triarylamine Functionalized Luminophores For Multi-Functional And Stimuli-Responsive Applications, Sasikala R

Theses and Dissertations

Organic solid-state fluorescent materials have garnered attention over many decades in virtue of their contribution in the development of LED devices and biomedical applications. Nevertheless, the potential of fluorescent molecules in device applications was underused due to aggregation-caused quenching (ACQ) effect. The ACQ effect commonly quenches the organic molecules fluorescence intensity in the aggregated or condensed state, which can significantly influence their performance in practical applications.

The organic polyaromatic fluorophores exhibit strong fluorescence in the solution state. After culmination of years of work, Prof. Tang’s research group discovered a new phenomenon of aggregation-induced emission (AIE) in the fluorescence molecules constructed …

Synthesis Of Cancrinite Zeolite From Toraja Natural Bentonite For Heavy Metal Removal From Wastewater, Yuli Astuti, Paulina Taba, Siti Fauziah, Syarifuddin Liong, Yusafir Hala, Nur Umriani Permatasari, Satria Putra Jaya Negara, Fadliah Fadliah

Karbala International Journal of Modern Science

This study explores the production of cancrinite (CAN) zeolite from bentonite found in Toraja (a place in South Sulawesi Province, Indonesia) and its effectiveness in removing Pb²⁺ and Fe³⁺ ions from wastewater. The synthesis was carried out using a hydrothermal method with varying NaOH concentrations, where a single phase of zeolite was formed at 5 M, as confirmed through XRD analysis. FTIR results showed the characteristics of CAN zeolite with typical absorption peaks at 676, 622, and 565 cm^-1, as well as the presence of carbonate groups (CO₃^2-) at 1300-1400 cm^-1. SEM …

Machine Learning Crime Prediction Models And The Gap Between Research And Implementation: A Systematic Review, Ricardo Huamantingo, Miguel Cano-Lengua, Ciro Rodriguez

Karbala International Journal of Modern Science

A crime is an illegal or violent act committed by one individual against another. The increasing crime rate has become a major concern as it negatively affects people's quality of life and generates significant social and economic costs. This study aims to identify the most widely used machine learning (ML) models for crime prediction, determine evaluation metrics for assessing model performance, and analyze key data characteristics to enhance real-world implementation. The study follows the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) methodology. A search string was formulated using the population, intervention, comparison, and outcomes (PICO) framework and applied …

Psilostachyin B As Potential Immune Checkpoint Inhibitor Targeting Ctla-4 And Pd-L1 In The Development Of Cancer Immunotherapy: A Computational Investigation, Moh Dliyauddin, Nabila Shafa Yumna Salsabila, Noviana Dwi Lestari, Sapti Puspitarini, Mansur Ibrahim, Sri Rahayu, Muhammad Sasmito Djati, Muhaimin Rifa’I

Karbala International Journal of Modern Science

Immunotherapy is a promising treatment approach by targeting immune checkpoints such as CTLA-4 and PD-L1 to overcome cancer progression. The utilization of Curcuma longa and Phyllanthus niruri as potential immune checkpoint inhibitors offers an alternative cancer therapy. Computational analyses including molecular docking and molecular dynamics with validation using Molecular Mechanics/Poisson-Boltzmann Surface Area (MM-PBSA), Dynamic Cross-Correlation Matrix (DCCM), and Principal Component Analysis (PCA), were performed in this study. Results show that Psilostachyin B is the most promising inhibitor candidate against CTLA-4 and PD-L1, with binding affinity values of -6.9 and -6.8 kcal/mol, respectively. Molecular dynamics simulation results indicated that Psilostachyin B …

Electropolymerization Of Nile Blue And Toluidine Blue Dyes For Hydrogen Evolution Reaction Electrocatalysts, Camellia N. Schwartzman

Macalester Journal of Physics and Astronomy

This work investigated electropolymerized (EPD) organic conductive polymers poly-Nile Blue (PNB) and poly-Toluidine Blue (PTB) on fluorine-doped tin oxide (FTO) glass substrates as electrocatalysts for the hydrogen evolution reaction (HER). We investigated the effect of changing the heteroatoms in the pi-conjugated structure of poly-Neutral Red (PNR). UV-vis spectroscopy was used to estimate film thickness. Catalytic activity was quantified by Tafel slope and formal redox potential. PNB and PTB exhibited low current densities and small standard rate constants. Although neither showed highly active catalysts for HER, future directions should continue to pursue structures similar to PNR for HER electrocatalysts.

A Study Of Machine Learning Techniques In Solving Biochemical And Chemical Problems, Kenneth Micheal Plackowski

Chemistry and Chemical Biology ETDs

Data-driven approaches to solving problems in biology and chemistry require utilization of reliable techniques and machine learning algorithms are the modern reliable approach. This work presents three problems that involve use of supervised learning techniques when classification is the goal and unsupervised learning techniques when global data representation is the goal.

In the first problem, we demonstrate the use of unsupervised clustering techniques, self-organizing maps and K-means, to ascertain analyte detection capabilities of carbon nitride dots. In the second problem, we add scalability features to a functional group classification model applied to infrared data and evaluate its ability to inform …

Nanoporous Gold Nanoparticles And Model Membrane Systems Applied To The Study Of Lipopolysaccharide (Lps), Dhanbir Lingden

Dissertations

Lipopolysaccharide (LPS), a key structural component of Gram-negative bacteria, is a major trigger of sepsis and septic shock, the systemic inflammatory conditions responsible for millions of deaths annually. Even at concentrations as low as 1 ng/mL, LPS can activate the immune system and initiate inflammatory cascades. According to the Global Burden of Disease Study 2017, sepsis accounted for 48.9 million cases globally, with 11 million deaths, emphasizing the urgent need for improved diagnostic and therapeutic strategies.

Accurate and rapid detection of LPS is vital for early intervention and improved clinical outcomes. While traditional detection methods are still widely used, modern …

Role Of Staphylococcus Aureus And Streptococcus Pyogenes Biofilms On The Alternation Of Cellular Immunity In Pediat-Ric Tonsillitis Patients, Shayma Ali Hussein, Taban Kamal Rasheed

Karbala International Journal of Modern Science

This study examines the effect of Staphylococcus aureus and Streptococcus pyogenes biofilms on cellular hematological parameters and distribution and phenotyping of cellular immunity in mucosal tissue of tonsils. Thirty healthy controls and fifty pediatric tonsillitis patients participated in the research. Thirty isolated S. aureus and S. pyogenes were tested for biofilm-forming capability (BFC). Hematological parameters were assessed before tonsillectomy, and 9 tonsil samples were evaluated using hematoxylin and eosin stain to investigate the histopathological alterations. Immunohistochemistry (IHC) staining was carried out for detecting dendritic cells (CD1a), neutrophils (CD15), macrophages (CD68), helper T cells (CD4), and cytotoxic T cells (CD8). Hematological …

Neurophysiology And Endocrine Responses To Hunger And Satiety Mechanisms: The Brain-Gut Crosstalk, Nour Shakir Rezaieg, Muthanna M. Awad

Karbala International Journal of Modern Science

Background: Obesity is a main public health problem which substantially increases the risk of many diseases. The complex neural circuitry controls energy homeostasis and food consumption by the incorporation of hormonal and neural signals. Circulating hormones, in specific the gut hormones, have been found to be very important in appetite regulation. These hormones transfer energy situation signs to the brain throughout three principle paths: the circulation system, activation of the vagus nerve, and direct modification of main brain regions such as the hypothalamus and brainstem. The control of food eating is not exclusively dependent on the homeostatic processes, rather it …

A Novel Chaotic Dna-Based Image Cryptosystem Leveraging Euclidean Division, Dynamic Josephus Traversal, And Reservoir Computing, Ahmed Kareem Shibeeb, Salah Albermany, Sadiq A. Mehdi

Karbala International Journal of Modern Science

This study presents a new chaotic DNA-based image cryptosystem that combines Euclidean division, dynamic Josephus traversal (DJT), and reservoir computing to address the weaknesses of current methods. Old chaotic DNA cryptosystems usually have problems such as using the same keys for different messages, simple DNA processes, and being vulnerable to attacks where the attacker can choose the input or try many options. The cryptosystem in this study uses a 7D hyperchaotic system that starts with keys created from SHA-512 hashes to produce changing keystreams based on the plaintext, making it very strong against such attacks. The proposed cryptosystem uses a …

Signal And Noise Analysis In An Undergraduate Instrumental Analysis Laboratory, Ken Overway

Chemistry Faculty Scholarship

Understanding the difference between signal and noise in a measurement is fundamental to analytical chemists. The typical instruments found in an undergraduate chemistry department can be used to teach this concept, as well as signal averaging, by giving students hands-on experience with measurements and data processing. This work presents an undergraduate laboratory module (homework and experiment) that provides specific instructions for using gas chromatographs, fluorometers, a nuclear magnetic resonance spectrometer, an atomic absorption spectrophotometer, and an infrared spectrometer to collect replicate measurements and a framework for calculating the noise level, baseline, signal level, signal-to-noise ratio (SNR), and the signal thresholds …

Recent Insights Into Electrochemical Sensing Of Per- And Polyfluoroalkyl Substances, Christopher T. Lebarron, Pavithra Hosseini, Seyyedamirhossein Hosseini

Faculty Publications

Per- and polyfluoroalkyl substances (PFAS) are widely studied due to their persistence, prevalence, and harmful effects on human and environmental health. Key challenges include improving detection methodologies, such as lowering detection limits, and developing more sensitive and selective approaches. Given the ubiquity of PFAS, effective sensing must be paired with remediation strategies that transform these pollutants into value-added or less toxic products. This perspective explores recent advances in electrochemical PFAS detection, highlighting challenges and future opportunities.

Recent Insights Into Electrochemical Sensing Of Per- And Polyfluoroalkyl Substances, Christopher T. Lebarron, Pavithra Hosseini, Seyyedamirhossein Hosseini

Faculty Publications

Per- and polyfluoroalkyl substances (PFAS) are widely studied due to their persistence, prevalence, and harmful effects on human and environmental health. Key challenges include improving detection methodologies, such as lowering detection limits, and developing more sensitive and selective approaches. Given the ubiquity of PFAS, effective sensing must be paired with remediation strategies that transform these pollutants into value-added or less toxic products. This perspective explores recent advances in electrochemical PFAS detection, highlighting challenges and future opportunities.

Modified 2-Quinolinones For Photocatalysis: The Fluorescence Quantum Yield (Φf) Of Novel 2-Quinolinone Derivatives, Reggina Moreno Trevino, Graham Griffin

DePaul Discoveries

The photophysical properties of novel 2-quinolinone derivatives were examined to evaluate their potential as photocatalysts using fluorescence and UV-Vis absorbance spectroscopy. The fluorescence quantum yields were determined via the relative comparative method, using target absorbance values at a specific wavelength to prepare solutions and comparing these measurements to the reference molecule carbostyril-124. Molar absorptivity values were also calculated to assess the light absorption properties for each compound. Among the derivatives, PAV-3 presented with the highest molar absorptivity and fluorescence quantum yield values (ε= 15297.3 M-1 cm-1, ΦF= 17.1%), while PAV-5 showed the lowest (ε= 4796.2 M-1 cm-1, ΦF= 2.3%). The …

The Lewis Basicity Of Amines On The Legault Iodonium Lewis Acidity Scale., Soocheta Jha, Souradeep Basu, Madison Bob, David R. Stuart

Chemistry Faculty Publications and Presentations

Diaryliodonium-amine complexes are proposed as key intermediates in metal-free C-N coupling reactions. Herein, H NMR titration is used to quantify association constants () between diaryliodonium triflates and synthetically relevant amines from which the amine Lewis basicity (LB) parameter is calculated. Compared to anionic Lewis bases, distinct solvent effects are observed.

Metastable Macrocyclic Bis-Meisenheimer Adduct, Simon Pascal, Angélina Torres Ruiz, Aerin E. Baker, Douglas A. Vander Griend, Michel Giorgi, Aurélien Planchat,, Denis Jacquemin, Olivier Siri

University Faculty Publications and Creative Works

An electron‐deficient tetranitroazacalixarene is shown to undergo reversible cyanide capture via nucleophilic aromatic substitution, yielding an unprecedented class of metastable dianionic macrocycle incorporating two Meisenheimer units, fully characterized by single‐crystal X‐ray diffraction, NMR, and electronic absorption spectroscopies. Acting as a chemical fuel, cyanide transiently drives the formation of this adduct, which can spontaneously regenerate the parent macrocycle under mild conditions, representing a rare demonstration of metastability in a Meisenheimer complex. The dynamic behavior of this system, reminiscent of out‐of‐equilibrium assemblies, is finely tunable through macrocycle concentration, counterion nature, solvent, and temperature. Detailed crystallographic, spectroscopic, and computational analyses reveal that intramolecular …

The Chemistry Workforce In The Mountain West, 2022, Sean Curry, Otoniel Ramos, Mohit Pande, Olivia K. Cheche, Caitlin J. Saladino, William E. Brown Jr.

Economic Development & Workforce

This fact sheet presents 2022 data on the industrial chemistry workforce in five Mountain West states: Arizona, Colorado, Nevada, New Mexico, and Utah. The American Chemistry Council’s (ACC’s) report, “2023 Guide to the Business of Chemistry,” offers insights into the chemistry industry’s role in the U.S. economy. This fact sheet focuses on 2022 state-level data related to the number of chemistry establishments, the number of individuals employed in the industry, and the average wages and salaries of industry workers in the Mountain West.

Du Undergraduate Showcase Abstracts: Research, Scholarship, And Creative Works, Kabe Aberle, Nadia Kako, Kateri Mcrae, Brooke Agulnek, Sky Palmon, Yasmine Ramirez, Francisca Aguirre Beltran, Ashley Juarez, Bridget Kim, Tessa Appel, Sterling Kerr, Spencer Ingley, Gabe Meyer, Robin Tinghitella, Dale Broder, Lily Baeza, Chloe Beers, Julia Coakley, Whitney Kelsey, Sydney Gainforth, Gabi Wing, Audrey Martin, Aaliyah Amore Berry, Brooke Watley, Kiruthika Venkatesan, Rachel Bienstock, Annabella Brotherston, Madison Bryant, Mia Burgener, Emma P. Lieb, Rachel A. Johnson, Jennifer L. Hoffman, Kania Campbell, Kiena Campbell, Courtney Cassidy, Sage Krzyzkowski, Maddox Jones, Skylar Abookire, Luke Hawkins, Sunnah Yoon, Andrea Chu, Yan Qin, Nyah Cubbison, Brian Gearity, Daniel Mcintosh, Mariely Cruz, Edward Garrido, Grady Dionne, Nicole Doris, Lyndsie Salvagio, Ann-Charlotte Granholm-Bentley, Anna Dymov, Hannah Eckert, Gabrielle Welsh, Erica Larson, Charlie Ernst, Anna Zhou, Sarah Watamura, Larissa Fedorovich-Klein, Georgie Fields, Kimberly A. Guevara, Aven Mccall, Ben Peltier, Feruz Yahia, Patrick Flores, Jadyn Floyd, Sophia Forcier, J. Von R. Monteza, Peter Sokol-Hessner, Gwendolyn Geiger, Scott Nichols, Camryn Gunter, Kendal Hengst, Charlie Bednarz, Issy Garside, Addison Baker, Rachel Mina, Brooke Hermanson, Amanda Klingler, William Highfill, Sydney Jaques, Kerstin Lewey, Allison Grossery, Daniel Linseman, Ethan Lim, Jagger Livengood, Owen Mantelli, Gabby Pappas, Abby Mcdonald, Madeleine Dierking, Eve Miller, Emma Loeber, Anna Marlow, Michael Kerwin, Ella Mathews, Hillary Hamann, Khadija Mohamed, Vivian Nguyen, Gabri Notov, Ifunayachi Ogbonna-Ukuku, Sunil Kumar, Charles Baysah, Sarah Olson, Don Sullivan, Anna Paradiso, Jay Parrish, Mira Pronobis, Alisha Pravasi, Kerstin Haring, Diego Ramirez, Christopher Reardon, Juliana Ramirez, Casey Doherty, Ella Kestner, Teagan Weindel, Cate Billings, Pablo Torre-Walter, Lucy Rand, Samantha Reynolds, Mark Siemens, Khadeeja Rashid, Laine Satterlee, Piper Heilbronner, Lily Pound, Ben Whitehurst, Anna Respet, Lizzie Lesoing, Sydney Hertel, Aya Saad-Masri, Brooke Ballenger, Max Proske, Hannah Rosenberg, Ellia Nakahara, Sophia Espinoza, Ivan Woolhouse, Simon Ruland, Gorkem Er, Timothy Sweeny, Melaku Saketa, Michela Schenk, Maren Lynch, Madi Hamm, Grace Schroeder, Michelle Rozenman, Rana Seif, Jackson Hall, Marisela Simental, Daniel Paredes, Aaron Mena, Preston Spaan, Evelyn Stovin, David Andrew Swartz, Anh Tran, Daniel Pittman, Luke Farchione, Emily Boyer, Ukari Verner, Lacey Conrad, Jonathan Velotta, James Weiner, Jagger Gossett, Noah Sherry, Sam Proud, Ben Block, Avi Narayana, Zoey Weiss, Alyssa Wilson, Gabrielle Walsh, David Zonana, Keely Wright, Kena Riveria, Lillybelle Deer, Jena Doom, Elysia Davis, Isabelle Yaremenko, Caitlyn Young

DU Undergraduate Research Journal Archive

Abstracts from the DU Undergraduate Research Showcase.

Positive And Negative Parity States Of 226-236th Isotopes, Ali A. Mezban, Falih H. Al-Khudair

Karbala International Journal of Modern Science

The level scheme of the ^226-236Th nuclei is analyzed using the Interacting Boson Model (IBM-1). The ground state band (g. s.-band), beta band (β-band), gamma band (γ-band) have been described in the sd model space. To calculate the negative parity energy levels, the model space is extended to sdf by adding the f-boson (L=3). A sequence of states in energy bands up to 3.5 MeV has been obtained. The decay of negative states below 1 MeV built on an octupole vibration modes is investigated. The transition probabilities in-band and inter-band are calculated using the wave function of the …

Implementing A Sustainability Approach By Converting Plastic Bottle Waste From A Mischievous Substance To A Beneficial Material By Means Of Zero Residue Level Concept, Younus Mohammed Abed, Fatima Allawi, Shahad Mudhafar Ali, Salem Jawad Alhamd, Thekra Atta Ibrahim, Mohammed Nsaif Abbas

Karbala International Journal of Modern Science

Plastic waste represents a serious environmental and health hazard due to its non-biodegradability and toxic leachates. This study investigates the potential conversion of plastic waste into a sustainable raw material for producing a useful substance. This investigation focuses on repurposing PET beverage bottles—a major contributor to microplastic pollution—into high-value activated carbon (AC) for water treatment, aligning with circular economy principles. The chemical preparation method for AC using phosphoric acid as an activating agent was evaluated. Results demonstrated the successful conversion of 68% of plastic waste into AC under the following conditions: pyrolysis temperature of 700°C, pyrolysis time of 7 hours, …

Correction: Turn-On Fluorescent Glucose Transport Bioprobe Enables Wash-Free Real-Time Monitoring Of Glucose Uptake Activity In Live Cells And Small Organisms, Monica S. Hensley, David Hutchings, Abdelrahman Ismail, Micaela Rayne Geborkoff, Thomas Werner, Marina Tanasova

Michigan Tech Publications

Correction for “Turn-on fluorescent glucose transport bioprobe enables wash-free real-time monitoring of glucose uptake activity in live cells and small organisms” by Monica S. Hensley et al., RSC Chem. Biol., 2025, 6, 987–995, https://doi.org/10.1039/D4CB00239C.

The authors regret that two contributors, Micaela Rayne Geborkoff and Professor Dr Thomas Werner, were inadvertently omitted from the original author list of this article. Both individuals made significant contributions to the research reported.

Micaela Rayne Geborkoff was involved in the design, planning, and execution of the Drosophila experiments, specifically in the growth and treatment of fruit fly larvae. Professor Dr Thomas Werner provided …

Synthesis And Evaluation Of Novobiocin Analogues As Potential Inhibitors Of Polymerase Theta Polθ In Dna Damage And Repair, Mohammed Essam Albuhluli

Theses and Dissertations

Killing tumors while leaving normal cells unharmed is the goal of precision cancer therapy, a challenging feat that is enabled by targeting tumor-specific vulnerabilities [1]. Targeting Polθ potentiates PARP inhibitors (PARPi) in specifically killing homology-directed repair (HDR)-deficient tumor cells and re-sensitize PARPi resistant tumor cells [1]. The induced essentiality between Polθ and HDR-deficiency underscores the value of Polθ as a therapeutic target in the context of tumors with HDR genetic mutations [1]. The helicase-like domain (HLD) is a super family 2 (SF2)-type domain with DNA-dependent ATPase activity [1]. We previously discovered that the antibiotic NVB acts as an inhibitor of …

Tafazzin-Deficient Zebrafish Display Mitochondrial Dysfunction, Neutropenia, And Metabolic Defects Without Myopathy, Usua Oyarbide, Rebecca A. Anderson, Igor Radzikh, Jillian V. Kodger, Akshay S. Patil, Morgan Staton, Anny Mulya, Genevieve M. Crane, Silvio Litovsky, Yana I. Sandlers, Seth J. Corey

Chemistry Faculty Publications

Barth syndrome is an X-linked syndrome characterized by cardiomyopathy, skeletal myopathy, and neutropenia. This life-threatening disorder results from loss-of-function mutations in TAFAZZIN, which encodes a phospholipid-lysophospholipid transacylase located in the mitochondria inner membrane. Decreased cardiolipin levels and increased monolysocardiolipin levels perturb mitochondrial function. However, the mechanism(s) leading to myopathies and neutropenia are unknown, and no currently effective therapy exists. To address these knowledge gaps, we generated tafazzin-deficient zebrafish. Neutropenia developed 5 days post-fertilization, but surprisingly no cardiac or skeletal myopathies were detected into adulthood. tafazzin mutants displayed multiple metabolic disturbances like those observed in humans with Barth syndrome. These include …

Exploring The Promise And Limitations Of Point-Charge-Free Potentials For Hydrocarbon Modeling, Raymond Weldon, Feng Wang

Chemistry & Biochemistry Faculty Publications and Presentations

Models for hydrated and neat hydrocarbons are developed with the adaptive force matching method using either B3LYP-D3(BJ) or MP2 as reference. Hydrocarbons, being non-polar, present an opportunity to explore the possibility of creating force fields without modeling electrostatics. For liquid methane, ethane, cyclopentane, and cyclohexene, models without partial charges achieved excellent agreement with experiments when fitted against MP2 reference with SAPT dispersion. In aqueous solutions, models without solute partial charges maintain high quality for saturated hydrocarbons but exhibit reduced accuracy for cyclohexene. Notably, liquid methane's weak intermolecular interactions make it particularly sensitive to the choice of reference method. Our findings …