Chemistry Commons^™

Uptake And Fate Of Silver And Zinc Engineered Nanoparticles In Maize Under Single And Binary Dosing Soil Ecosystems, Lei Xu, Qingbo Yang, Xingmao Ma, Honglan Shi, John Yang, Hu Yang, Samira Mahdi, Ying Wang, Young Shin Jun

Chemistry Faculty Research & Creative Works

Recent agricultural applications of engineered metallic nanoparticles (ENPs) have raised concerns about their uptake and fate in plants. To understand this critical issue, this study investigated the fate and uptake of silver (Ag) and zinc oxide (ZnO) ENPs in maize (Zea mays L.) after single or binary ENP exposure in soil. Results indicated that both Zn and Ag elemental concentrations in roots increased with increasing ENP dosage. Ag NPs in the tissues were detected, but not Zn NPs. Ag NP concentration was 3 times higher in the roots than in the shoots at low Ag NP dosing, while Ag NP …

Simulation And Projection Of Glaciers And Their Runoff In Xinjiang Based On Tgsgs, Zhongqin Li, Yefei Yang, Bowen Liu, Huilin Li, Zexin Zhan, Feiteng Wang, Chunhai Xu, Weibo Zhao

Bulletin of Chinese Academy of Sciences (Chinese Version)

Glaciers are large flowing ice bodies formed from snowfall in cold regions. Due to the intrinsic physical properties of ice and the complexity of boundary conditions, physically based modelling of glacier change remains a global challenge. With support from the Chinese Academy of Sciences’ key science infrastructure program for the field station, the Tianshan Glaciological Station completed the Tianshan Glacier Station Glacier Simulator (TGSGS) in 2025. TGSGS features advanced representations of the physical mechanisms driving glacier change and multi-scale ensemble strategy, and is integrated with a reference glacier observation network based on terrestrial laser scanning (TLS), a low-temperature laboratory for …

Organic Synthesis Of A Hydrazine Functionalized Ammonium Compound For Improved Capture Of Aldehyde Metabolites From Exhaled Breath, Po'iu N. Burgo

Undergraduate Theses

Breath analysis has emerged as a non-invasive and inexpensive way to screen for respiratory diseases. This technique involves measuring concentrations of specific metabolites found in exhaled breath that serve as a biomarkers for disease. A subclass of volatile organic compounds called α,β-Unsaturated aldehydes, products of the lipid peroxidation mechanism, are underrepresented as biomarkers of lung cancer. These have been found to have relatively increased concentrations in the exhaled breath of lung cancer patients compared to a healthy patient. One of the reasons that these metabolites have been underreported is that the techniques used to measure and characterized exhaled metabolites do …

Techno-Enviro-Economic Analysis Of Precipitated Calcium Carbonate Production From Carbon Dioxide In Cement Industry Flue Gas And Calcium Hydroxide, Natalia Debora Panggabean, Widodo Wahyu Purwanto

Journal of Materials Exploration and Findings

CCUS is a technological solution to reduce emissions from the cement industry, which is the second largest CO2-intensive industry. This study aims to analyze technical, economic, and environmental performance of Precipitated Calcium Carbonate (PCC) synthesis in cement industry flue gas. The process simulation includes the CO2 capture system from cement plant, CO2 captured used as feedstock for PCC synthesis process through its reaction with calcium hydroxide. The simulation was carried out using ASPEN Plus software. Technical analysis was performed to determine the CO2 capture efficiency and PCC synthesis efficiency. Economic analysis was conducted to calculate CO2 capture cost and production …

Feasibility Analysis Of Thermal Oxidizer To Determine Remaining Life Using Fitness- For-Service Level 3 Method, Yudhi Yudistirawan, Donanta Dhaneswara, Wahyuaji Narottama Putra, Gama Widyaputra, Dewi Kurnia Suci, Agung Putra Mahardhika

Journal of Materials Exploration and Findings

An aged thermal oxidizer (TOX) in the oil and gas industry necessitates a comprehensive evaluation to ensure its continued safe operation. This study presents a Remaining Life Assessment (RLA) and a Fitness for Service (FFS) evaluation for the four main components of the TOX, in accordance with API 510, API 579/ASME FFS-1, and ASME BPVC Section VIII Div-1 standards. The investigation includes the determination of maximum stress and maximum temperature required to assess the operational viability of the reactor. The four components are radiant, convection, transition, and stack sections—were modeled using the finite element method (FEM). Following the geometric modeling, …

Assessing Passenger Electric Vehicle Growth Strategies And Their Impacts On Electricity Demand Load And Co2 Emissions In Aceh Province To Achieve Net Zero Emission Target By 2060, Taufik Hidayat, Widodo Wahyu Purwanto

Journal of Materials Exploration and Findings

The electrification of the transport sector is a crucial pathway for achieving Indonesia’s Net Zero Emissions (NZE) target by 2060. This study assesses the potential impact of passenger electric vehicle (EV) penetration on electricity demand and CO2 emissions in Aceh Province through a scenario-based modelling approach. Two policy-aligned scenarios are assessed: a low-penetration (LP) scenario and a high-penetration (HP) scenario. Using the Gompertz model and the ASIF framework, total CO2 emissions were projected from 2020 to 2060. Results show that although higher EV penetration reduces direct emissions from internal combustion engine (ICE) vehicles, total CO2 emissions increase more significantly under …

Palladium-Catalyzed Coupling Of Aryl Halides To Organometallics From Tertiary Alcohols, Joseph E. D'Amico, Annabelle G. Frederick, Nicholas S. Corey

25th Annual A. Paul and Carol C. Schaap Celebration of Undergraduate Research and Creative Activity (2026)

For years, the Suzuki-Miyaura reaction has served as an effective method of coupling various carbon-carbon structures, typically of aryl halides with aryl boronic acids. However, the Suzuki reaction is not without limitations, specifically with ortho-fluorinated aryl and heterocyclic boron compounds. The palladium catalyzed cross coupling reaction of tertiary alcohols with halides has shown potential in succeeding where the Suzuki reaction is limited. This research aims at exploring the extent of effectiveness in the use of tertiary alcohols in palladium catalyzed coupling reactions. Specifically, this work focuses on the change in reactivity depending on the aryl halide used.

Czts Nanoparticles As Cost Efficient Catalysts For Producing Green Hydrogen, Aidan Hau

Undergraduate Research Symposium (2026- )

Hydrogen gas is produced to be used as feedstock, fertilizer, and fuel. Traditional hydrogen production produces “gray hydrogen” in a process that uses and releases fossil fuels into the atmosphere. One way to produce “green” hydrogen is with renewable energy technologies that produce hydrogen gas using electrolysis without emitting fossil fuels. In electrolysis, the hydrogen atoms bonded to oxygen in a water molecule are split to produce hydrogen. A typical catalyst for this process would be a precious metal like palladium, which can be costly. In order to make green hydrogen production more affordable, an alternative catalyst composed of CZTS …

Uhplc-Ms/Ms-Based Method Development And Validation For Multiclass Pesticide Residues In Food: Risk Assessment And Water Remediation, Muhammad Usman

Thesis/ Dissertation Defenses

The increasing use of pesticides in agriculture necessitates the development of sensitive and reliable analytical methods for accurate detection, risk assessment, and remediation. This dissertation focuses on the development and validation of advanced UHPLC-MS/MS-based methodologies for the determination of multiclass pesticide residues and their metabolites in complex food matrices, along with the remediation of organophosphorus pesticides in aqueous systems. Efficient sample preparation techniques, including liquid–liquid extraction (LLE) and QuEChERS-based dispersive solid-phase extraction, were optimized to reduce matrix interferences and enhance analytical performance. The developed methods were validated according to international guidelines (SANTE/11312/2021) and demonstrated excellent performance. Recoveries ranged between 70–120%, …

Quantum Scattering Of Hc5n And Para-H2 On A New Potential Energy Surface, Shan Gao, François Lique, Ernesto Quintas-Sánchez, Richard Dawes, Jérôme Loreau

Chemistry Faculty Research & Creative Works

In the interstellar medium (ISM), non-local thermodynamic equilibrium situations are common due to low density, and one needs to consider the effect of molecular collisions in order to interpret the observations. Among the species detected in the ISM, cyanopolyynes, with the general molecular formula HC_2n+1N (n = 1, 2, …), are characterized by large dipole moments and small rotational constants and constitute an indispensable class of candidates for the sensitive tracers of local density and temperature. We present a study of the collisional (de-) excitation of HC₅N by para-H₂ (p-H₂) in its ground …

Electroenzymatic Cascades For Nitrogen Upgrading: Beyond Ammonia Towards Value-Added Nitrogen Chemicals, Rohit G. Jadhav, Vamshi Krishna Kamaja, Wassim El Housseini, Monica Brachi, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

The global transition toward sustainable chemical manufacturing demands technologies that leverage natural carbon and nitrogen cycles while minimizing reliance on sacrificial reagents and fossil resources. These biogeochemical cycles are fundamental to life, and enzymes catalyze many of their key transformations. Bio electrochemical, specifically electroenzymatic, systems offer a promising route to sustainable synthesis by enabling selective redox transformations powered by electricity. However, whereas carbon-cycle enzymes are now well established in bio electrochemical synthesis, enzymes from the nitrogen cycle remain comparatively underexplored. Moreover, the nitrogen cycle alone does not access many value-added nitrogen-containing products, which require additional C-N bond formation and organic …

The Impact Of An Interactive Open Education Textbook For An Undergraduate Introductory Chemistry Course For Nonmajors, Erin Avram

Chemistry Faculty Publications

Reading informational text is a critical skill across most professions. Unfortunately, students are less likely to purchase the required course materials now compared to 2010. A free, interactive text was developed for an introductory chemistry course for non-STEM majors. This involved remixing existing texts and incorporating interactive activities to engage students during the learning process and provide opportunities for them to gauge their learning. Based on the results of a student survey, 82% of students reported that it was very important to them that the text was free and 80% of students who responded reported that they used the eText …

The Efficacy Of Manganese Sulfate As A Negative Contrast Agent For Magnetic Resonance Cholangiopancreatography, Zainab Abdulla Mankhi

Karbala International Journal of Modern Science

The current study aims to find an alternate oral contrast media for use in magnetic resonance cholangiopancreatography (MRCP) that satisfies the following criteria, the greatest imaging quality safety, no or few side effects, and low cost. The present study created an oral contrast agent sample (solution) by dissolving a one tablet of manganese sulfate supplement (taken daily dose) in 200 ml of distilled water. Thirty-three volunteers assessed the sample using MRCP examine pre and post contrast. By evaluating the signal intensity to compute contrast (C), signal to noise ratios (SNR), and contrast to noise ratio (CNR), the resulting MR images …

Exploring Ancestral Enzymes Through Sequence Reconstruction And Stability Prediction, Jeyun Park, Masakatsu Watanabe

SACAD: Scholarly Activities

Proteins evolve through sequence changes that shape structure, stability,

and function. Ancestral sequence reconstruction (ASR) infers ancestral

proteins from modern homologs, but many studies focus on sequence

inference without evaluating structural or energetic feasibility.

β-lactamases provide an ideal model due to their evolutionary diversity and

clinical relevance in antibiotic resistance.

Here, we present an integrated ASR workflow combining phylogenetic

inference (IQ-TREE), ancestral reconstruction, and structural and stability

validation using AlphaFold and FoldX. By reanalyzing a curated β-

lactamase dataset and comparing with a recent study (Risso et al., 2013),

we provide a controlled comparison of ancestral sequences, predicted

structures, and …

David Berkowitz, Enzyme-Assisted Organic Synthesis & Nsf Officer, Mark A. Griep, David B. Berkowitz

Department of Chemistry: Faculty Interviews

Dr. Dave Berkowitz was born in Urbana, Illinois. He earned his bachelor's degree in chemistry from the University of Chicago, where he did undergraduate research. Next, he earned his doctorate from Harvard University. However, his advisor, Steve Benner, moved from Harvard to ETH Zurich, also called the Swiss Federal Institute of Technology. Dave accompanied him to Zurich, where he completed his dissertation work. When Dave returned to the U.S., he did a postdoc with the legendary Samuel Danishefsky at Yale University. In 1991, he joined UNL as an assistant professor of chemistry and quickly rose through the ranks. Dave is …

Desialylation And Sialidase Secretion From Monocytes And Macrophages Upon Lps Activation, Yu Zhao, Majdi Aljohani, Morgan Pychowycz, Xue-Long Sun

Chemistry Faculty Publications

Introduction The cell surface expresses a dense layer of glycans often terminated with sialic acids (Sias), known as sialylation, which represents different cellular statuses. Meanwhile, the removal of Sias from the glycans catalyzed by sialidase (desialylation) is also involved in many biological processes, such as inflammatory responses. Previous studies demonstrated that desialylation is involved in LPS/TLR4 signaling pathway and pro-inflammatory cytokine production. In this report, we systematically profiled desialylation and sialidase activity, expression and secretion from monocytes and macrophages upon LPS activation.Methods THP-1 monocytes and THP-1 macrophages were activated by LPS (100 ng/mL) for 24 hours. The cellular Sia changes …

Impact Of Collodion Thickness On Fission Track Generation Within Lexan Employed For Nuclear Forensic Analyses, Ryan K. Chapman, Zachary P. Meisel, Abigail A. Bickley

Faculty Publications

We report results from a computational study of fission track damage within a Lexan substrate caused by ²³⁵U suspended within a collodion film of varied thickness. MCNP6.3 was used to model energy deposition and displacements per atom within a Lexan film coated by a film of collodion, located within the air-filled 6 inch dry tube of a TRIGA reactor. The collodion layer was varied between 20 and 100 μm thickness, resulting in an 8.8% difference in energy deposition and 12% difference in displacements-per-atom within the Lexan substrate. These findings indicate that collodion adhesive thickness has a moderate impact on …

Understanding The Binding Of Nickel(Ii) Bromide To A Zirconium Metal-Organic Cage For Heterogeneous Catalysis, Luci Green

Caroliniana Undergraduate Research Journal

Heterogeneous catalysts offer inherent advantages in improving the sustainability of industrial chemical processes. Their high ease of separation and recyclability has the potential to reduce the cost, waste, and energy consumption of processes that currently rely on homogeneous catalysts. Metal–organic cages (MOCs) are an attractive material for heterogeneous catalysis due to their discrete and highly tunable structures, which can be functionalized by binding these complexes with catalytically active metals. The specific objective of this study is to provide preliminary insight into the binding of nickel(II) bromide (NiBr₂) to zirconium MOCs, which was done by studying the binding of …

Non-Markovian Quantum State Diffusion For Electron Transfer In The Biological Complexes, Muhammad Waqas Haseeb

Thesis/ Dissertation Defenses

The emerging field of quantum biology explores whether non-trivial quantum effects such as entanglement, tunnelling, and environmentally induced memory can contribute meaningfully to biological function alongside classical mechanisms. While such effects have been explored in photosynthesis, enzyme catalysis, and olfaction, their potential relevance to virology remains largely unexplored. Viruses, which straddle the boundary between living and non-living matter, provide a particularly compelling testbed for this inquiry. This thesis investigates a quantum-dynamical paradigm for viral entry, proposing that the earliest stage of SARS-CoV-2 infection may involve vibrationally assisted electron transfer (VA-ET) between the viral Spike protein and the host cell's angiotensin-converting …

Synthesis And Catalytic Activity Testing Of Coke-Resistant Nickel-Based Catalysts For Methane Reforming And Hydrogen Production, Abdulmuizz Adamson

Thesis/ Dissertation Defenses

Ni-based catalysts are widely used in methane reforming and hydrogen production, but their industrial application is limited by deactivation caused by carbon deposition (coking). This dissertation examines the role of iron as a dopant in improving catalytic performance and coking resistance, with emphasis on its incorporation method and impact on coke oxidation during different methane reforming reactions.

The results show that dispersing iron ions within the γ-Al₂O₃ support significantly enhances catalyst coking resistance and hence catalyst performance under partial oxidation and combined partial oxidation-dry reforming conditions. This improvement is attributed, mainly, to the redox function of Fe and the enhanced …

Organic Photocatalysts For Desulfurization Of Fuels, A K M Maksudul Hasan

Master's Theses (2009 -)

Desulfurization of fuels is a critical process for reducing sulfur contents in petroleum-based fuels to mitigate environmental pollution and meet the regulatory standards. Among various pollutants, Sulfur is the deadliest as inhaling leads to coughing, shortness of breath, sinus problem as well as the death of brain cells. Petroleum has a number of organosulfur derivatives, for example in crude oil (0.1 to 6wt% sulfur), which should be removed before using in combustion engines and other applications. High sulfur containing petroleum products used in engines and power plants would lead to the formation of sulfurdioxide (SO2) which would contribute to the …

Green Synthesis And Characterization Of Silver Nanoparticles Using Dadap Serep (Erythrina Lithosperma) Leaves Extract As A Bioreductor, Fairuz Hammad Albahi, Suyatno Sutoyo, Tukiran Tukiran

Chimica et Natura Acta

Silver nanoparticles (AgNPs) had been widely applied in various fields such as health, food, environment, catalysts, optics, and electronics. The synthesis of silver nanoparticles can be carried using a bottom-up method using by bioreductants derived from natural extracts (green synthesis). This study aims to describe the green synthesis of silver nanoparticles using a bioreductants from dadap serep (E. lithosperma) leaves extract and to determine its characteristics. The synthesis was carried out by varying the volume ratio of dadap serep leaves extract to silver nitrate solution at ratios of 1: 1, 1: 2, 1: 3, and 1: 4, followed by optimization …

Kinetic Analysis Of 2-Methylpentan-2-Ol*, Nicole Seheult

Campus Research Month

This experiment investigated the kinetics of 2-methylpentan-2-ol using UV-visible spectroscopy under strongly acidic conditions (96% sulfuric acid). The dehydration of the tert-amyl alcohol produced a carbocation intermediate whose absorbance at 300 nm was evaluated at various temperatures. An Arrhenius plot of ln(k) versus 1/T produced a linear relationship with a calculated activation energy of 90.0 kJ/mol. This value is consistent with literature expectations for tertiary carbocation formation and supports the acid-catalyzed dehydration mechanism predicted for this molecule.

Towards The Synthesis Of Soluble Benzophosphole Oxides Via Addition Of Amine Groups*, Nema Ogal

Campus Research Month

Benzophospholes possess unique properties that make them useful across a wide range of chemical applications, particularly in materials chemistry. Solubilizing benzophosphole oxides would be especially useful in advances in medicinal chemistry. This research is designed to improve the solubility of benzophosphole oxides by adding amino groups which could be protonated and turned to salt. Their synthesis is an ongoing process with many intricate steps, but ultimately very practical outcomes in the filed of organochemistry.

Calculating Potential Energy Curves Of Molecular Hydrogen And Its Ion Using Psi4 For Blinc Fusion Applications*, Angelina Castillo, Oscar Coral, Canaan Hercules, Blake Laing, Vola Andrianarijaona

Campus Research Month

Southern Adventist University’s Beamline for Ionic and Neutral Collisions (BLINC) is investigating the interactions between hydrogen molecules and fusion particles. To perform in-house theoretical calculations, the BLINC Theory and Analysis Group is testing Psi4 as a viable computational method for BLINC fusion research. Successful calculations of the potential energy curves and dissociation energies of H₂ and H₂⁺ have been completed and compared to known values. Preliminary results align with known values, demonstrating Psi4’s potential for BLINC research. Future work will focus on the vibrational energies, wavefunctions, and transition probabilities of H₂ and H₂⁺.

The Hartree-Fock Method: Quantum Theory To Python Code, Joshua Lohr

Campus Research Month

This poster presents a Restricted Hartree-Fock (RHF) program that solves the Roothaan-Hall equations within a finite basis set. Starting from an initial guess density, the Fock matrix is constructed via Coulomb and Exchange contributions. The resulting pseudo-eigenvalue problem is solved iteratively until self consistency. The electronic energy of water was calculated using the STO-3G basis set and validated against PySCF as a reference.

Elucidating The Structure And Binding Nature Of Thianaphthene Dimers Using Gas-Phase Infrared Spectroscopy, Gaia Zucali, Vincent J. Esposito, Sandra Brünken, Piero Ferrari

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Crucial for many biological systems, in astrochemistry, and for fundamental chemistry in general, the conformations adopted by weakly bound complexes of polycyclic aromatic hydrocarbons (PAHs) have been the focus of debate for decades. Still, there are great challenges in forming such complexes in the laboratory, measuring accurate spectroscopic information sensitive to structure, and computing molecular properties for systems subtly bound by dispersive interactions. Here, we employ a combination of gas-phase infrared spectroscopy with extensive density functional theory (DFT) calculations to unambiguously determine the preferred conformation adopted by dimers of neutral thianaphthene, a PAH composed of one six- and one five-membered …

Una To Put Names On 2 Buildings, Jennifer Edwards

Documents

the naming of the Academic Commons Building and the new Science and Technology Building at UNA

The Science And Technology Building University Of North Alabama, Barbie Hampel-University Advancement

Documents

Brochure and floor plans for the New Science and Technology Building at UNA

University Of North Alabama Science And Technology Building Grand Opening And Ribbon Cutting, University Of North Alabama

Documents

Invitation to the Grand Opening and Ribbon Cutting for the new Science and Technology Building at UNA