Chemistry Commons^™

Development Of A Mesothelin-Binding Engineered Scaffold Protein As A Theranostic For Pleural Mesothelioma, Roberto Silvestri, Margherita Piccardi, Alessia Laurenza, Filomena Rea, Allison R. Sirois, Martina Lari, Francesco Bartoli, Giovanni Signore, Lorena Tedeschi, Elisabetta Ferraro, Paola Anna Erba, Roberto Giovannoni, Stefano Landi, Federica Gemignani, Sarah J. Moore

Engineering: Faculty Publications

Mesothelin (MSLN) is a tumor biomarker expressed at high levels on the surface of numerous cancers with extremely limited expression in healthy tissues. MSLN-targeting agents developed for diagnosis and therapy could have a significant impact on the management of MSLN-expressing cancers. Pleural mesothelioma (PM) is a deadly cancer that arises from mesothelial cells lining the pleura and is predominantly linked to asbestos exposure. There are currently no effective treatments, and diagnosis occurs in late stages of disease due to the lack of clinical symptoms in the early stages. Recent efforts to diagnose and treat PM have focused on identifying and …

A New Low-Rate Stable Hydrogel Cathode For Aqueous Zn-Ion Batteries, Roya Rajabi, Shichen Sun, Jamil A. Khan, Morgan Stefik, Kevin Huang

Faculty Publications

Aqueous Zn-ion batteries (ZIBs) are attractive candidates for large-scale energy storage owing to the abundance, low cost, and intrinsic safety of Zn metal. However, their practical application is hindered by poor cycle stability, especially at low current densities, due to cathode dissolution and limited electrochemically active sites (EAS). Herein, a hydrogel-based cathode comprising ammonium vanadate, carbon black, and a Zn-ion-conducting carboxymethyl chitosan–acrylamide hydrogel matrix doped with Zn(ClO4)2 is reported. This design establishes a continuous Zn-ion-conducting network, thereby maximizing EAS density throughout the electrode volume. The ZIB with the hydrogel cathode exhibits outstanding cycling stability, with 77% capacity retention after 2000 …

Effect Of Au Nanoparticles Doping On The Structure, Surface Morphology And Optical Properties Of Znago Nanorods, Mohsin Talib Mohammed, Salah M. Saleh Al-Khazali, Bassam A. Salih, Adel H. Omran Alkhayatt

Karbala International Journal of Modern Science

In this work, nanoparticles (NPs) composed of noble elements (Au and Ag) were prepared using a chemical reduction method and then combined with a spray pyrolysis technique for synthesizing ZnAgO and Au-doped ZnAgO nanorods (NRs). The films were produced by adding 2 wt% of Ag NPs and 2, 4, and 6 wt% of Au NPs at 420°C. The results showed that the films have a polycrystalline ZnO (wurtzite) with a hexagonal structure. Also, all films had a preference orientation along the (002) plane. The crystal size increased with increasing Au doping from 64.4 to 65.33 nm. For ZnO doped with …

First Principles Molecular Dynamics Simulations Of Infrared And Raman Vibrational Spectra Of H5o2 +, D5o2 +, Dh4o2 +, And D4ho2 + From 50 To 300 K, Oluwaseun Omodemi, Martina Kaledin

Faculty Articles

We report molecular dynamics simulations of infrared (IR) and Raman spectra of H5O2+ and its deuterium-substituted analogs. We use the well-tested HBB potential and dipole surfaces along with a recently fitted polarizability surface of CCSD(T)/aug-cc-pVTZ quality. The focus of the present work is to provide new insights into the O···O stretch region, located in the [500–700] cm–1 spectral range, by means of analyzing the spectra over a broad range of temperatures: from 50 to 300 K. Also, rovibrational thermal averaging was performed to untangle the unusually complex spectra of partially deuterated isotopologues DH4O2+ and D4HO2+ with H and D minority …

Collisional Excitation Of Hcn By Co To Refine The Modeling Of Cometary Comae, Francesca Tonolo, Ernesto Quintas-Sánchez, Adrian Batista-Planas, Richard Dawes, François Lique

Chemistry Faculty Research & Creative Works

We present the first dataset of collisional (de)-excitation rate coefficients of HCN induced by CO, one of the main perturbing gases in cometary atmospheres. The dataset spans the temperature range of 5–50 K. It includes both state-to-state rate coefficients involving the lowest ten and nine rotational levels of HCN and CO, respectively, and the so-called "thermalized" rate coefficients over the rotational population of CO at each kinetic temperature. The derivation of these coefficients exploited the good performance of the statistical adiabatic channel model (SACM) on top of an accurate interaction potential computed at the CCSD(T)-F12b/CBS level of theory. The reliability …

Cv: Teresa Bixby (Chemistry), Teresa Bixby

Chemistry Department Faculty Curricula Vitae

No abstract provided.

Needs Analysis Of Interactive Learning Media For Teachingheat Transfer In Physics: Students’ And Teachers’Perspectives, Rizki Eka Shintya, Ika Mustika Sari, Ida Kaniawati

Jurnal Pendidikan Sains

Heat transfer material in physics is known to be abstract. This study specifically analyzes the conceptual difficulties, and visualization needs specific to this material, which is different from the analysis of physics needs in general. This analysis does not only look for the need for traditional media but explicitly looks for the need for interactive media (simulation, animation, virtual laboratory). Therefore, this study aims to identify the need for interactive learning media in physics education, specifically in the teaching of heat transfer, from the perspective of students and teachers in West Java, Indonesia. Using a quantitative descriptive survey, data were …

Efficacy Of Teaching At The Right Level Approach Combined With The Problem-Based Learning Model On Science Learning Outcomes At Middle School, Heri Syahputra Azhar Panjaitan, Ryan Dwi Puspita

Jurnal Pendidikan Sains

This research seeks to evaluate the efficacy of the Teaching at the Right Level (TaRL) strategy in conjunction with the Problem-Based Learning (PBL) model on the scientific learning outcomes of eighth-grade students at middle school Islam Terpadu Khairul Imam. This research addresses the inadequate scientific problem-solving abilities and science learning outcomes of Indonesian students, necessitating a more interactive and individualized instructional technique. The methodology used is a quasi-experimental design with a nonequivalent control group. The sample included two purposively chosen eighth-grade classes: one experimental class (n=25) underwent the TaRL–PBL intervention, whereas the control class (n=25) simply used the lecture approach. …

An Integrated Pcb-Based Heating And Auto-Ranging Platform For Volatile Organic Compound (Voc) Detection Using Carbon Nanotube Based Sensors, Thomas Kalach

USF Tampa Graduate Theses and Dissertations

This thesis presents the development, characterization, and integration of a novel low-cost, high-dynamic-range sensor platform for the detection of volatile organic compounds (VOCs), leveraging the unique electrical properties of carbon nanotube (CNT) thin films. The platform introduces a fully integrated auto-ranging analog front-end circuit capable of real-time resistance measurement spanning over eight orders of magnitude ranging from tens of ohms to hundreds of megaohms, without compromising signal resolution or precision. This was achieved through a digitally controlled, multi-path feedback architecture and controllable current source.

To further enhance sensor performance, the system incorporates a copper trace heater beneath the sensor array, …

Development Of Natural Product Analogs As Therapeutic Agents, Jacob Mara

Theses and Dissertations

Cancer stem cells (CSC) are cancer cells in a tumor mass that may self-renew and develop into various cell types, resulting in a heterogeneous tumor. CSCs have been shown to have a role in many facets of cancer formation, including tumor genesis, proliferation, and metastatic activity. They are also implicated in chemotherapeutic treatment resistance and the recurrence of some malignancies. Based on these capacities, CSCs have been identified as the next target for cancer therapy and control. Salinomycin's potential for therapeutic use based on ongoing research, as well as the synthesis of its derivatives and their biological activity, will also …

Development Of Students Worksheet Based On Project-Based Learning To Train Critical Thinking Skills At Vocational High School, Dia Ayu Permatasari, Harun Nasruddin

Jurnal Pendidikan Sains

Critical thinking is a cognitive skill that helps identify problems and generate solutions, leading to logical decisions or considerations for solving those problems. Students' critical thinking skills can be trained through learning activities to further improve students' critical thinking skills with learning tools. Therefore, this research intends to produce a student worksheet based on project-based learning to train students' critical thinking skills on the colligative properties of solutions. The development research uses the 4D development model from Thiagarajan, limited to the development stage. A limited trial was conducted with 30 students of industrial chemical engineering expertise at Vocational High School …

Development Of Digital Comic Learning Media Based On Mobile Learning On Media: Making Media Materials In Plant Tissue Culture, Sufina Intan Pertiwi, Fauziyah Harahap, Aline Gusti Yolanda Harahap, Marsya Amira Indrawati, Aline Jelita Christiani Simanullang, Yanda Febry Gracea Br Tarigan, Maureen Efriyanti Sitinjak

Jurnal Pendidikan Sains

his research was conducted based on student needs analysis, analysis of learner characteristics, and curriculum analysis, namely the lack of visualization and presentation of concepts and the lack of utilization of interactive technology in the learning process on media material and media making in tissue culture for college students. This study intends to develop digital comic media based on mobile learning and making media materials in tissue culture. This research method used research and development (R&D) with the ADDIE model: analyze, design, develop, implement, and evaluate. The subjects of this study were students of the Department of Biology, Universitas Negeri …

Problem-Based Learning Assisted By Augmented Reality On The Respiratory System Topic: A Study Of Students’ Critical Thinking Skills And Learning Motivation, Nyimas Dilviana, Ade Yeti Nuryantini, Sumiyati Sa'adah

Jurnal Pendidikan Sains

This study aims to examine the effectiveness of the Problem-Based Learning (PBL) model assisted by Augmented Reality (AR) technology regarding the respiratory system in improving students’ critical thinking skills and learning motivation. The research method used was a quasi-experimental design with a one-group pretest-posttest model. The subjects were 30 eleventh-grade students from a public high school in Garut City. Research instruments included a critical thinking test and a learning motivation questionnaire. The results showed a significant improvement in students’ critical thinking scores after the implementation of PBL with AR support. Additionally, learning motivation data analyzed from 16 statement items revealed …

Interface Catalysts Of In Situ-Grown Tio2/Mxenes For High-Faraday-Efficiency Co2 Reduction, Shaun Debow, Zichen Shen, Arjun Sathyan Kulathuvayal, Fuzhan Song, Tong Zhang, Haley Fisher, Jesse B. Brown, Yuqin Qian, Zhi-Chao Huang-Fu, Hui Wang, Zachary Zander, Mark S. Mirotznik, Robert L. Opila, Yanqing Su, Yi Rao

Chemistry and Biochemistry Student Research

Climate change and the global energy crisis have led to an increasing need for greenhouse gas remediation and clean energy sources. The electrochemical CO₂ reduction reaction (CO₂RR) is a promising solution for both issues as it harvests waste CO₂ and chemically reduces it to more useful forms. However, the high overpotential required for the reaction makes it electrochemically unfavorable. Here, we fabricate a novel electrode composed of TiO₂ nanoparticles grown in situ on MXene charge acceptor 2D sheets with excellent CO₂RR characteristics. A straightforward solvothermal method was used to grow the nanoparticles on …

Day-Night Shifts In Water-Soluble Ions Of Size-Resolved Aerosols Before And After The Covid-19 Lockdown In A Coastal Megacity: Metro Manila, Philippines, Grace Betito, Paola Angela Bañaga, Rachel A. Braun, Maria Obiminda Cambaliza, Melliza Templonuevo Cruz, Alexander B. Macdonald, James Bernard Simpas, Connor Stahl, Armin Sooroshian

SOSE Affiliate: Manila Observatory

The COVID-19 pandemic-driven lockdowns offer a unique opportunity to examine how reductions in anthropogenic emissions impacted atmospheric aerosol composition in urban environments. This study investigates the day-night variability of size-resolved water-soluble ions in ambient particulate matter (PM) collected in Metro Manila before (November 2019–February 2020) and after (November 2020–February 2021) lockdown implementation. Using tandem Micro-Orifice Uniform Deposit Impactors (MOUDIs), aerosol samples were collected during daytime (06:00–18:00) and nighttime (18:00–06:00) periods and analyzed for key ionic species (sulfate, ammonium, nitrate, oxalate, sodium, chloride, calcium, and magnesium) via ion chromatography. Submicrometer water-soluble mass declined post-lockdown, particularly during daytime, reflecting suppressed secondary formation …

Liquid 1h-1,2,3-Triazole Interpreted As A Continuous, Self-Assembled Hydrogen-Bonded Linear Network, Ashley E. Williams, Anna Craigholan, Leah A. Surbaugh, Aron J. Huckaba, Jared H. Delcamp, Gregory S. Tschumper, Nathan I. Hammer

Chemistry Faculty Research & Creative Works

The molecular-level organization of 1H-1,2,3-triazole in the liquid state is described as an extended hydrogen-bonded network, reminiscent of linear solution-phase polymer chains. Raman, IR, and no-D NMR spectroscopic data interpreted using density functional theory (DFT) computations reveal no evidence of the lower-energy 2H- tautomer or isolated 1H- monomers. Spectroscopic and computational results are consistent with an extended network of strong intermolecular hydrogen bonds throughout the pure liquid and explain earlier X-ray and solution-phase studies. Our computations indicate that the Gibbs free energy of ring-like structures for the most part increases with the number of fragments whereas it decreases for extended …

Reliable Structures And Electronic Energies Of Small Water Clusters Using Density Functional And Local Correlation Coupled Cluster Model Chemistries, Benjamin T. Petty, Vance R. Fowler, Audrey Ryu, Caroline S. Glick, Carly A. Rock, Qihang Wang, Gregory S. Tschumper, George C. Shields

Chemistry Faculty Research & Creative Works

In this paper we have assessed the ability of the domain-based local pair natural orbital (DLPNO)-CCSD(T) method to match the explicitly correlated CCSD(T) relative energies of (H₂O)n=3–7isomers along with the impact of the level of theory utilized to optimize the water cluster geometries. The benchmark structures were optimized using a 2-body:Many-body procedure in which all of the 1- and 2-body contributions are computed using CCSD(T) while all of the higher-order many-body interactions are computed using MP2 (denoted CCSD(T):MP2). Benchmark relative energies were computed for these CCSD(T):MP2 optimized geometries with explicitly correlated CCSD(T)-F12b single point energies (SPEs) using the …

Introductory Chemistry Student Success: Investigating Study Strategies And Evaluating An Informative Utility Value Intervention, Pallavi Nayyar

USF Tampa Graduate Theses and Dissertations

Improving retention in STEM (science, technology, engineering, and mathematics) programs is essential to meet the growing demand for skilled professionals in the domestic workforce. To achieve this, it is critical to understand and address the factors that influence student persistence in STEM degrees. Gateway courses such as general chemistry often serve as early barriers to STEM degree completion, with high rates of attrition that impact not only individual students but also institutions and society. Therefore, the aim of this work was to examine and influence the factors that contribute to student withdrawal from introductory chemistry courses in order to promote …

Investigating Factors Influencing Organic Chemistry Learners' Explanation Sophistication And Representational Competence, Caroline J. Crowder

USF Tampa Graduate Theses and Dissertations

The research presented in this dissertation has two themes: organic chemistry learners’ written explanations and representational competence. Chapters 3 and 4 explore how organic chemistry learners construct explanations of reaction mechanisms, specifically focusing on electrophile and nucleophile components. Chapter 5 investigates organic chemistry learners’ representational competence skills and the relationship between these skills and their performance in the course.

Understanding reaction mechanisms is critical for success in organic chemistry, yet learners often struggle to reason beyond explicit, surface-level features. Constructed-response prompts that ask learners to explain what is happening in a reaction mechanism and why it occurs can provide insight …

Pathlength, Altitude And Angle Of Incidence Dependence Of Remote Water Raman Scattering, Whitney E. Schuler, Paige K. Williams, Zechariah B. Kitzhaber, Caitlyn M. English, Tammi L. Richardson, Nikos Vitzilaios, Michael L. Myrick

Faculty Publications

A small remote Raman sensor was used to measure the Raman scattering signal from clear, still water as a function of water depth (12 cm and 396 cm depth), sensor distance above the water surface (20–300 cm), and angle of incidence (0–80°) to the normal of the water surface. Under thick- and thin-sample conditions, the signal depends on either the inverse, or the inverse square, of sensor distance from the water surface, respectively. A model is derived that fits data for different sensor distances, water depths, and angles of incidence. Fits to the measured data are consistent with the known …

Revisiting The Spin–Lattice Relaxation Of Homonuclear In-Phase And Antiphase Nmr Magnetization, Lauren M. Kehoe, Zachary G. Mayes, Kelsey E. Brakensiek, Emma L. Ellis, Adam J. Alderfer, Lingyu Chi, Klaus Woelk

Chemistry Faculty Research & Creative Works

Hyperpolarization techniques such as dynamic nuclear polarization (DNP), chemically induced dynamic nuclear polarization (CIDNP), and parahydrogen-induced polarization (PHIP) enhance the sensitivity of NMR spectroscopy and MRI, but the associated antiphase magnetization patterns often relax faster than those of conventional in-phase signals. This study analyzes the spin–lattice relaxation matrix for single-quantum transitions in an isolated, weakly coupled two-spin AX system to identify eigenvectors and eigenvalues that govern the time evolution of in-phase and antiphase longitudinal magnetization. The analysis predicts that AX antiphase magnetization, such as that generated by PHIP hydrogenations in high magnetic field, can relax up to twice as fast …

3d Visualization For Teaching And Learning In Organic Chemistry: Orbital Hybridization And Bonding, Bao Le, Jeffrey Hansen

Annual Student Research Poster Session

This research focuses on developing techniques to create 3D visualizations for use in an electronic textbook. In this age of technology, traditional textbooks have become less appealing to the new generation compared to phones or tablets. Student learning can be enhanced by not only bringing the textbook online but also elevating the comprehensive experience for the students with 3D animations. We will show how animations of orbital hybridization and chemical bonding are made in Blender using Signed Distance Field (SDF) modeling. The orbitals’ models are mathematically combined allowing for smooth animation. We have used this technique to animate the transformation …

Adipose Tissue Estrogen Receptor-Alpha Overexpression Ameliorates High-Fat Diet–Induced Adipose Tissue Inflammation, Marion C. Hope, Christian A. Unger, M. Chase Kettering, Cassidy E. Socia, Ahmed K. Aladhami, Barton C. Rice, Darya S. Niamira, Ben P. Wiznitzer, Diego Altomare Ph.D., William E. Cotham, Reilly T. Enos

Faculty Publications

Context

We created an innovative mouse model that enables inducible overexpression of estrogen receptor-alpha (ERα), specifically in adipose tissue (Adipo-ERα↑). Objective

We aimed to investigate how elevated Adipo-ERα↑ influences the development of high-fat diet (HFD)-induced obesity in both male and female mice. Methods

Male and female Adipo-ERα↑ mice and littermate controls were fed a low-fat diet (LFD) or HFD for 13 weeks. Adipo-ERα↑ was induced at the initiation of dietary treatment. Body morphology and composition, hepatic lipid accumulation, glucose tolerance, fasting insulin concentrations, and adipose tissue mRNA profiling were assessed. Liquid chromatography–mass spectrometry was used to determine circulating and adipose …

Pentanary And Hexanary Alkali Lanthanide Germanates Grown From Lanthanide Rich Flux Growth Reactions, Gregory Morrison, K. Pilar Zamorano, Virginia G. Jones, Ethan N. Adams, Hans Conrad Zur Loye

Faculty Publications

Single crystals of five compounds of a new structure type, the K3Nd52Ge12O100F7 type, were grown from lanthanide rich reactions using a KF/KCl flux: K3Ln52Ge12O100F7 (Ln = Nd, Eu), K3Ln52Ge12O100+δF7-δ (Ln = Pr, Tb), and K3Ca0.872Nd51.128Ge12O99.128F7.872. The five compounds crystallize in the cubic space group I-43d with lattice parameter 22.0350(2) Å for K3Nd52Ge12O100F7. The structure consists of a 3D checkerboard of LnX8, LnX7, LnX6, and GeO4 polyhedra, where X = O/F, and can be conceptually derived from the fluorite structure. K3Eu52Ge12O100F7 exhibits the fluorescence typical of Eu³⁺.

Creating Blender Animations To Help Students Visualize Organic Chemistry Concepts, Vasilina Vikareva, Jeffrey Hansen

Annual Student Research Poster Session

Many students struggle with organic chemistry because they find it difficult to visualize molecular structures and interactions in three dimensions. Concepts like bond rotation for conformational isomers and intermolecular forces require strong spatial imagination, which traditional 2D drawings fail to develop effectively. This spatial visualization deficit contributes significantly to high failure rates and student anxiety in organic chemistry courses, creating a substantial barrier to success in STEM fields. This project aims to solve this problem by creating animations that demonstrate complex chemical concepts in clear, visual ways that enhance student comprehension and retention. The research methodology involves developing a comprehensive …

Chemical And Sensory Attributes Of Different Ethanol Reduction Methods In Muscadine Wine Production, Alexandra A. Escalera, Patricia C. Patricio Morillo, Drew Budner, Katherine A. Thompson-Witrick, Andrew J. Macintosh

Chemistry

There has been a recent shift in the global wine market towards reduced-alcohol wines. Muscadine grapes (Vitis rotundifolia) have become a popular choice in many emerging markets; however, their suitability in reduced-alcohol wine production has not been extensively tested. In this study, methods to reduce ethanol in muscadine wine were compared to determine differences in chemical and sensory attributes and consumer preference. The methods evaluated included full fermentation time with Saccharomyces cerevisiae (control), reduced fermentation time with Saccharomyces cerevisiae (stopped fermentation), fermentation with Saccharomycodes ludwigii yeast (instead of Saccharomyces cerevisiae), and vacuum distillation. The control and distilled wines were fermented …

Laboratory Investigation Of High-Temperature Preformed Particle Gels For Fluid Control In Granite Cores For Geothermal Applications, K. Caleb Darko, Yanbo Liu, Thomas P. Schuman, Mingzhen Wei, Baojun Bai

Chemistry Faculty Research & Creative Works

To understand the applicability of high-temperature preformed particle gel (HT-PPG) for control of short-circuiting in enhanced geothermal systems (EGSs), core flooding experiments were conducted on fractured granite cores under varying fracture widths, gel particle sizes and swelling ratios. Key parameters such as injection pressure, water breakthrough pressure, and residual resistance factor were measured to evaluate HT-PPG performance. The gel exhibited strong injectability, entering granite fractures at pressure gradients as low as 0.656 MPa/m; HT-PPG yields a superior sealing performance by significantly reducing the permeability; and dehydration occurs during HT-PPG propagation, with a dehydration ratio ranging from 4.71% to 11.36%. This …

Chemistry And Biochemistry Affiliated Publications: Snapshot Of The Research Publications 2019-2024., Jeremy J. Smith, Lutishoor Salisbury

University Libraries Faculty Publications and Presentations

This report highlights the chemistry and biochemistry faculty publications for the period 2019-2024. It includes tables identifying the types of publications, the characteristics of the authors, inter-departmental and external cooperation, summary of the citations of the publications, and the JCR ranking of the journals in which they published.

Use Of Modified Z-Domain Peptides To Specifically Label The Constant Region Of Immunoglobulin G And Vegf, Madeline Allen

Department of Chemistry: Dissertations, Theses, and Student Research

Antibodies are increasingly being used in medicinal therapies due to their ability to specifically bind to a target antigen. This fundamental behavior of antibodies has been used as a key component in drug development to address common problems with traditional drug molecules such as off-targeting, fast drug clearance, and low efficacy. This thesis provides some background into how antibodies can be used as potential treatments for a few diseases. Chapter 1 begins with an overview of the human immune system, and the role antibodies play within it. Then, the variety of ways in which antibodies can be used as medicinal …

Investigating The Redox Properties Of Photoredox Catalysts And Organic Compounds Through Quantum Chemistry, Peter Girnt

Open Access Theses & Dissertations

This dissertation explores the redox behavior of organic and organometallic systems using density functional theory (DFT), focusing on electron transfer mechanisms and structur –property relationships. The first study investigates the two-electron reduction of bianthrone isomers, revealing a potential-inverted ECE mechanism driven by isomerization and electronic destabilization. The second study examines ruthenium photoredox catalysts, showing that ligand fusion positions significantly affect redox potentials due to backbone dearomatization, while p extension has minimal impact. Together, these findings provide insight into redox tuning strategies and support the rational design of advanced catalysts and electroactive materials.