Chemistry Commons^™

On Message Encryption And Enhanced Security Using Protein Structure Information, Daniel Graham

Chemistry: Faculty Publications and Other Works

This is a lecture packet focused on several well-established encryption procedures. Included is a discussion of security enhancements brought about by incorporating protein structure information into the procedures.

Long-Term Variability Of Air Quality And Greenhouse Gas Emissions From Rice Crop Burning In Punjab During 2012–2020, Harsimranjit Kaur Romana, Dericks Praise Shukla, Ramesh P. Singh

Mathematics, Physics, and Computer Science Faculty Articles and Research

Punjab, India's primary rice and wheat production hub, has witnessed rapid expansion of paddy cultivation over the past two decades, driven by minimum support price incentives, changes in government policies, alignment of sowing with the monsoon season and the adoption of high-yielding varieties. This transition has intensified groundwater extraction and shortened the fallow period between rabi and kharif crop seasons, reducing the window between rice harvesting and wheat sowing, leading to widespread open-field burning of rice residue and recurrent post-monsoon air-quality deterioration across the Indo-Gangetic Plain. Despite numerous short-term or single-pollutant assessments, a spatially resolved, multi-pollutant and multi-decadal evaluation linking …

A General Predictive And Conceptual Model For Repulsive Electronic States In Valence Ionized Molecules, Luka Dockx, Bálint Sztáray, Anthony Dutoi

College of the Pacific Faculty Articles

Valence photoionization generates photoions with excess internal energy, often resulting in statistical dissociation, well described by RRKM theory. Yet, numerous small photoions with electronegative substituents (e.g., F, Cl, Br, OH) have been shown to exhibit nonstatistical behavior, undergoing direct dissociation from repulsive electronic states to yield radicals such as F• or OH•, along with their corresponding fragment ions. Here, we present a general, predictive model that rationalizes this mechanism and extends it to molecules bearing electronegative substituents capable of forming 2P (F•, Cl•, Br•) or 2Π (OH•, SH•, N3•, NCO•) radicals. Nonstatistical dissociation arises from ionization of p- or π-localized …

Synthesis And Characterization Of Transition Metal Carbide (Max) And Mxene Nanoflakes For Energy Storage And [email protected], Srikanth Ragunath B Mr

Theses and Dissertations

Rapid growth in population and industrialization created a huge demand for superior energy storage devices. Thus, the researchers are in constant search of developing exotic materials towards energy harvesting and storage devices. Batteries, supercapacitors, and fuel cells received a great attention to meet the global demand for energy storage. Among them, supercapacitors are widely preferred as energy storage devices due to higher power density, longer cycle life, and fast charging. The performance of the supercapacitors highly depends on the choice of electrode materials and electrolyte.

Recently, “MXenes”  a new class of layered a new class of layered a new …

Fluorescent Biosensor-Guided Engineering Of Enzyme Cascades For Electrochemical Applications, Nathan J. Ricks, Monica Brachi, Fnu Arun, Egor Baiarashov, Shelley D. Minteer, Ming C. Hammond

Chemistry Faculty Research & Creative Works

Substrate channeling is a strategy for enhancing flux and yield in enzymatic cascades and is increasingly relevant for applications in biocatalysis, biotechnology, and bioelectrochemical systems. However, efforts to engineer channeling are limited by the lack of high-throughput methods to evaluate and optimize channeling efficiency. Here, we present a fluorescence-based screening assay to rapidly assess substrate channeling in a model system involving fumarase and malate dehydrogenase, two sequential enzymes from the Krebs cycle. By expressing genetic fusions in Escherichia coli, quantifying intermediate (malate) and product (NADH) formation in lysate using orthogonal fluorescent readouts, and comparing product-to-intermediate ratios, we screened a library …

Main-Chain Ion-Pair Polybenzimidazole Membranes Enabling Reduced-Temperature Ht-Pemfc Operation (Down To 120°C), Huina Lin, Brian C. Benicewicz

Faculty Publications

Proton exchange membrane (PEM) fuel cells are promising for clean and efficient energy conversion across diverse applications. High-temperature PEM fuel cells (HT-PEMFCs) using phosphoric acid (PA)-doped polybenzimidazole (PBI) can operate up to 200°C, but at lower temperatures, water-induced PA loss often leads to performance degradation and reduced durability. In this work, we present a new class of main-chain ion-pair PBI membranes by integrating the imidazolium-biphosphate ion-pair units directly into the PBI backbone. This design results in membranes with high acid content, stronger acid-polymer interactions and stabilized acid retention. In single-cell tests, the Im⁺-PBI15-3 wt.% exhibits peak power densities …

Top-View Method As A Robust Alternative For Contact Angle Measurement, Bi-Min Zhang Newby, Emmanuel Agyei

University Research

This study validates the top-view method for contact angle measurement, based on the spherical cap assumption, as a practical alternative to conventional side-view techniques. It is particularly useful when side-view imaging is challenging, such as on rough, deformable, irregular, or confined areas where baseline visibility, meridian clarity, or drop symmetry is compromised. To address these challenges, this study details the simultaneous acquisition of top and side-view images of sessile drops along with precise drop volume via drop mass measurements. The contact angles were then deduced from drop volume and contact area based on the spherical cap assumption. Contact angles of …

Physical And Chemical Study Of Interaction In The Urea–Valine System For The Creation Of Modified Liquid Nitrogen Fertilizers, Suvonkul Erkhanovich Nurmonov, Saydullo Khamidovich Azimov

Chemical Technology, Control and Management

This study reports the results of a comprehensive physicochemical investigation of the urea–L-valine binary system, conducted to validate its potential as a modified base for liquid nitrogen fertilizers.

By utilizing the methods of isomolar series, visual-polythermal analysis, X-ray phase (XRD) and single-crystal X-ray diffraction (SC-XRD), synchronous thermal analysis (TGA/DTA), and FT-IR spectroscopy, it was determined that the interaction between components in both aqueous solutions and the solid phase results in the formation of molecular associates stabilized by hydrogen bonds, without the formation of new stoichiometric compounds.

The concentration and temperature limits of the system's stability were defined, revealing a reduction …

Spectroscopy And Photochemistry Of The Astrochemical Molecules Sicp And Alcp, Vincent J. Esposito, Tarek Trabelsi, Rebecca Firth, Ryan C. Fortenberry, Joseph S. Francisco

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Through characterization of the electronic excited-state topology, linear-SiCP is predicted to be photostable in the UV region, whereas linear-AlCP is predicted to undergo photodissociation to form Al+CP products after absorption of light in the 200–250 nm range, representing a catalytic process for freeing aluminum molecules from a solid dust grain. Both SiCP and AlCP are predicted to have electronic transitions with large absorption cross sections (∼10^–17 cm²) and to undergo fluorescence from bound excited states. The total electronic absorption spectrum is provided to inform electronic spectroscopy experiments. Silicon (SiC) and aluminum (Al₂O₃) dust …

Designing Novel Bisquinoline Antimalarials From Historical 4-Aminoquinolines To Combat Drug-Resistant Malaria, Mason J. Handford, Yuexin Li, Terry Riscoe, Xiaowei Zhang, Jane X. Kelly, Michael K. Riscoe

Chemistry Faculty Publications and Presentations

Plasmodium falciparum, the deadliest causative agent of malaria, continues to evade eradication efforts through widespread drug resistance. The recent development of ADC-028, a 4-aminoquinoline antimalarial with excellent activity and pharmacokinetic properties, prompted the investigation of bisquinoline analogs featuring similar structural motifs. Here, we describe a structure-activity relationship study that guided the optimization of compounds with key features, including the 4-anilinoquinoline core and diverse bridging linkers. Several analogs exhibited potent in vitro activity (IC50 < 20 nM) against both drug-sensitive and multidrug-resistant P. falciparum strains, while maintaining favorable cytotoxicity profiles. Among them, 25 demonstrated improved intrinsic metabolic stability (t1/2 = 121 min) and potent in vivo efficacy (ED50 = 0.32 mg/kg/day), achieving complete curative protection at a reduced dose compared to ADC-028. While 25 showed moderately reduced oral bioavailability (F = 43%) and a shorter half-life (T1/2 = 27.2 h) relative to ADC-028, its enhanced in vivo efficacy underscores its therapeutic potential. This work highlights a promising path forward in developing antimalarials that retain the efficacy of legacy compounds while overcoming modern resistance mechanisms.

The Enthalpy Of Formation Of Acetylenes And Aromatic Nitro Compounds For A Group Contribution Method With “Chemical Accuracy”, R. J. Meier, Paul R. Rablen

Chemistry & Biochemistry Faculty Works

In this paper we provide the Group Contribution parameters for acetylenes and aromatic nitro compounds fitting with a recently developed Group Contribution method with chemical accuracy (1 kcal/mol) for the heat of formation of organics. These additional parameters widen the applicability of the Group Contribution method. We also provide further G4 quantum calculated values as reference when no experimental data are available and compare to previously reported G4 data.

In Vitro Pharmacological Evaluation Of Novel Cmpi Derivatives As Selective Positive Allosteric Modulators Of The Alpha4 Beta2 Nicotinic Acetylcholine Receptor, Josue Gaona, Nataly Sanchez, Wilder Felix, Nathalia Menegasso, Brisa Cea, Ganesh Thakur, Ayman K. Hamouda

School of Medicine Student Publications and Presentations

Nicotinic acetylcholine receptors (nAChRs) contribute to the pathogenesis of neurodegenerative diseases such as Parkinson’s disease (PD), where degeneration of dopaminergic and cholinergic neurons disrupts neurotransmission. The (α4)₃(β2)₂ nAChR subtype is expressed on affected neuronal populations and represents a promising therapeutic target. Positive allosteric modulators (PAMs) may enhance receptor function while preserving endogenous signaling. We evaluated chemical derivatives of CMPI [3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazol] as selective PAMs of (α4)₃(β2)₂ nAChRs. Two-electrode voltage-clamp recordings were performed in Xenopus laevis oocytes expressing defined receptor stoichiometries to assess potentiation and generate dose–response curves. Cytotoxicity was assessed in HEK cells using the MTT assay. Substitutions at the pyrazole …

Microstructural Evolution Of Zirconium Diboride Irradiated With 5–10 Mev Au Ions At Room Temperature And 570 °C, Narrie Loftus, José Olivares, Miguel Crespillo, Esther Enríquez Pérez, Jeremy Watts, Eric W. Bohannan, Gregory Hilmas, William Fahrenholtz, Joseph Graham

Materials Science and Engineering Faculty Research & Creative Works

Zirconium diboride was irradiated with 5 MeV Au^2 + , 7 MeV Au⁴⁺ and 10 MeV Au³⁺ ions at room temperature and 570 °C to doses from 1 to 8 displacements per atom (dpa). Grazing incidence X-ray diffraction (GIXRD) analysis revealed no secondary phase formation. Rietveld analysis of the GIXRD data indicated an accumulation of microstrain at low dpa and room temperature. Dislocations observed in transmission electron microscopy (TEM) cross-sections are likely the main contributor to the microstrain. High dpa and high-temperature samples exhibit lower lattice distortion than lower dpa samples, suggesting the presence of enhanced defect …

College Of Natural Sciences 2025 Year-End Publication, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Page 2 Dean's Message 
Page 3 Department Highlights 
Page 4 One Day for State 
Page 5 Ice cores reveal volcanic eruptions in 13th century 
Page 5 How do our cells interpret stress 
Page 6-7 Faculty Excellence
Page 8 New chemical biology consortium will accelerate cancer research
Page 9 SDSU to combat crop disease, biofilms in new NSF-back project 
Page 9 Science as Art Competition 
Page 10-11 Student Excellence  
Page 12 SDSU researcher developing natural alternative to synthetic dyes
Page 12 Browning Retired
Page 13 Quantum technologies through NSF-backed project
Page 13 NASA Funds CNS Development of Model
Page 14 GGS …

Intramolecular Nonbonding Interactions And Geared Phenyl Twisting In Para-Disubstituted 1,4-Diphenylazines: Electron Correlation Effects On Molecular Conformations And Enantiomerization, Kaidi Yang, Harmeet Bhoday, Rainer Glaser

Chemistry Faculty Research & Creative Works

The results are reported of potential energy surface (PES) analyses of six symmetrical azines Y_p − Ph − RC=N − N=CR − Ph − Y_p, namely, the benzaldehyde azines 1H, 2H, and 8H with R = H and the acetophenone azines 1M, 2M, and 8M with R = Me. The Y substituents Cl (1), Br (2), and Me (8) were studied because sets of polymorphs I (C2-symmetry, azine twist τ ≈ 135 ± 10°, disrotatory phenyl twists ϕi ≠ 0°) and II (Ci-symmetry, τ = 180°, conrotatory ϕi ≠ 0°) were crystallized for these three azines. The …

Comparison Of Analytical Techniques From The Extraction Of Bioactive Compounds From Kratom, Curry, Ginger, And Turmeric, Riley Bruno

Honors Program: Senior Projects (Public)

Plants, herbs, and spices have been used as medicines for thousands of years. Early civilizations often attributed healing properties of plants to magical or divine forces. However, as chemistry and analytical technology advanced between the 16th and 18th centuries, scientists began to understand that bioactive compounds within the plants actually caused these effects. Today, natural products remain extremely important in drug discovery. As the number of newly developed synthetic drugs declines, there has been renewed interest in identifying biologically active molecules from plants. Bioactive molecules are a group of diverse chemical compounds that stimulate a response in living tissues. The …

Identification Of Microplastics And Additives From The Lake Erie Watershed And The Cuyahoga River Via Maldi-Ms And Dart-Ms, Chrys Wesdemiotis, Calum Bochenek, Luciana Rivera Molina, Robert Brand

University Research

Micro(nano)plastics have received increased attention as environmental contaminants due to their harmful effects on ecosystems and human health. Conventional extraction methods for microplastic analysis are often lengthy and complicated, resulting in the loss of important chemical components such as additives. In this study, we provide a complementary approach, utilizing matrix-assisted laser desorption/ionization (MALDI) and direct analysis in real time (DART) mass spectrometry (MS) techniques, with minimal extraction and sample preparation to preserve both polymer and additive information. MALDI-MS was applied to aqueous samples collected along the shores of Lake Erie and the Cuyahoga River, successfully identifying the base polymer(s) in …

Triphenylmethane-Derived Levelers For High-Speed Redistribution Layer Copper Electroplating Of Tailored Surface Morphologies, Zi-Hao Song, Wei-Bin Wang, Xiao-Hui Liu, Xiao-Min Han, Yi Zhou, Rui Huang, Yan-Xia Jiang, Zhe Li, Xiao-Wei Liu, Mei-Ling Xiao, Hong-Gang Liao, Wei-Lin Xu, Rong Sun

Journal of Electrochemistry

Redistribution Layer (RDL), composed of layered dielectrics and electroplated copper materials, is a basic structure to rearrange numerous I/O pads on the chip surface in wafer-level advanced packaging. As the key chemicals in electrolyte baths, electroplating additives have undergone continuous development to meet the industrial needs for high-speed and fine-line/fine-pitch applications. Meanwhile, the intricate relationships between additive chemical structures and electroplated copper properties are yet to be well understood. In this work, a pair of triphenylmethane-based dye molecules, i.e., gentian violet (GV) and methyl green (MG), was comparatively investigated as levelers for high-speed RDL copper electroplating. Compared to GV, significantly …

Current Research Progress On Electrode Materials For All-Vanadium Redox Flow Batteries, Wen-Qi Wang, Jie Jin, Li-Min Wang, Xin-Yue Liu, Tao Cheng, Yong Hou, Han Xue, Zhi-Yu Wang, Bo Liu, Jia-Bao Liu, Xu-Bin Lu

Journal of Electrochemistry

The redox active species in all-vanadium redox flow batteries (VRFBs) reside in the electrolyte, while the heterogeneous reactions occur on the electrode surface; the electrode is therefore the decisive platform for dynamic adsorption, electron transfer, and ion conversion, especially for the VO²⁺/VO₂⁺ and V²⁺/V³⁺ couples. One of the major challenges for VRFBs is the slow charge transfer in VO²⁺/VO₂⁺ and V²⁺/V³⁺ reactions, mainly caused by poor catalytic performance of electrodes and weak adhesion of catalysts to electrodes. This review focuses on the key challenges and recent …

An Electrochemiluminescence-Based Arsenic (Iii) Sensor Using Luminol On Screen-Printed Gold Electrodes, Harmesa Harmesa, Isnaini Rahmawati, Andrea Fiorani, Yasuaki Einaga, Eny Kusrini, A’An Johan Wahyudi, Asep Saefumillah, Tribidasari A Ivandini

Journal of Electrochemistry

Electrochemiluminescence (ECL) of luminol has been studied on a screen-printed gold electrode for a simple and sensitive detection of arsenic ions (As(III)). Cyclic voltammetry (CV) was applied as the proposed technique to study luminol’s electrochemical behavior and to evaluate the arsenic’s effect in the ECL system, while hydrogen peroxide (H₂O₂) served as a co-reactant to enhance luminol’s light emission under alkaline conditions. To achieve optimal electrode performance, key parameters including pH, scan rate, and the concentrations of H₂O₂ and luminol were carefully optimized. The presence of As(III) induced a quenching effect on the …

Control Of Pore Nucleation And Rearrangement Kinetics During Aluminium Anodizing In Phosphoric Acid Electrolyte, Ilya V. Roslyakov, Nikita A. Shirin, Dmitry M. Tsymbarenko, Sergei N. Pavlov, Sergey E. Kushnir, Nikolay V. Lyskov, Kirill S. Napolskii

Journal of Electrochemistry

Anodic aluminium oxide (AAO) porous films with an interpore distance of several hundred nanometers are of great interest due to their unique interaction with visible and near-infrared light, and high thermal stability up to 1500 °C. These porous films are prepared by aluminium anodizing at high voltages in weak acids, leading to a slow kinetics of initial stages of porous structure formation. Here, we propose an approach to accelerate AAO formation in electrolytes based on weak acids such as phosphoric acid. Aluminium foils, pre-patterned using first anodizing under different conditions and subsequent selective dissolution of a sacrificial AAO layer, were …

Exosome Engineering For Blocking Gut Dysbiosis And Inducing Cell Death Mechanisms In Glioblastoma Multiforme, Ahalya Muraleedharan, Karthik Rangavajhula, Swapan K. Ray

Faculty Publications

Glioblastoma multiforme (GBM) is the most lethal primary brain tumor in adults. Emerging evidence endorses that gut dysbiosis contributes to GBM progression through the gut–brain axis (GBA), promoting inflammation and therapeutic resistance via abnormal short-chain fatty acid production and cytokine dysregulation. Exosomes, naturally occurring nanovesicles (30–150 nm), offer promising therapeutic potential due to their blood–brain barrier permeability, biocompatibility, and versatile cargo capacity. This review examines exosome engineering strategies for dual targeting: inhibiting alterations in gut microbiome and inducing regulated cell death mechanisms such as apoptosis and ferroptosis in GBM. We describe exosome engineering with detailed focus on cargo loading approaches …

An Undergraduate Chemistry Experiment Integrating Theoretical And Practical Aspects Of Hypervalent Iodine(I) Compounds, Vladimir L. Kolesnichenko, Galina Z. Goloverda

Faculty and Staff Publications

A simple reaction sequence has been developed to produce iodine chloride-pyridine (PyICl) and pyridinium dichloroiodate (PyHICl2), convenient iodinating agents, in a high yield. Our approach is safe and simple to handle, avoiding the use of elemental chlorine or hazardous manipulations. Designed for an upper-level undergraduate hybrid lecture/lab chemistry course, the experiment integrates key concepts from both inorganic and organic chemistry. The pre-experiment lecture explains the connections between molecular structure, reactivity trends, and reaction types. Over three 4 h lab sessions, students carry out a sequence of quantitative transformations and characterize each intermediate and the final product using ESI mass spectrometry, …

Rapid Single-Cell Measurement Of Transient Transmembrane Water Flow Under Osmotic Gradient, Hong Jiang, Jinnawat Jongkhumkrong, Y. J. Chao, Qian Wang, Guiren Wang

Faculty Publications

Aquaporins (AQPs) are critical for transmembrane water transport in response to osmotic gradients, but their gating and regulatory mechanisms remain poorly understood. A central challenge is the lack of methods to measure water flow across AQPs from individual cells with the spatiotemporal resolution and sensitivity equivalent to patch-clamp recordings of ion fluxes—a limitation stemming from the electrically silent nature of water flow. Here, we present a novel optical technique—Flow-Induced Fluorescence Increase Velocimetry (FIFIV) based on Laser-Induced Fluorescence Photobleaching Anemometry (LIFPA)—that enables direct, real-time monitoring of cytoplasmic flow induced by transmembrane water transport under osmotic pressure gradients. Using small molecular fluorescent …

Plants Have A Chemical Defense To Protect Themselves From Herbivory, Isis Cordova

Research on Capitol Hill

All plants produce compounds for survival. My work focuses on how plants remember past attacks and whether that memory leads to stronger/faster responses.

Early Detection Of Harmful Algal Blooms (Habs) Using Qpcr And Predictive Modeling, Emily Samuels

Research on Capitol Hill

Harmful algal blooms (HABs) threaten drinking water, recreation, and public health in Utah Lake and waterbodies due to cyanotoxin production. Current monitoring methods detect toxins only after blooms are already established.

Cover And Contents

Turkish Journal of Chemistry

No abstract provided.

Influence Of Plasticizer Type On The Structure And Drug Release Characteristics Of Lm-Pectin Hydrogels, Banu Kocaağa, Fatma Seni̇ha Güner

Turkish Journal of Chemistry

This study investigated the effects of different plasticizers—castor oil (CO), polyvinylpyrrolidone (PVP), and polyethylene glycol (PEG) with varying molecular weights (MWs)—on the structure and drug-release performance of low-methoxyl pectin (LM-pectin) hydrogels. Theophylline was used as a model drug to evaluate release behavior under physiologically relevant conditions. The incorporation of plasticizers modulated polymer–polymer interactions, swelling behavior, and thermal properties, thereby affecting drug-release kinetics. CO, a hydrophobic triglyceride, created microdomain-induced diffusion pathways; PVP, containing water-affinitive lactam units, facilitated moisture-driven plasticization; and PEG (MW 400/1000/1500), with hydroxyl-terminated chains, established hydrogen bonds with pectin. Structural analyses (FTIR and DSC) revealed that CO disrupted pectin …

Antioxidant Potential Of Sulfenimides In Waste Walnut Oil Biodiesel: Kinetic Stability, Phosphomolybdenum Activity, And Reducing Power Capacity, Nalan Türköz Karakullukçu, Hasan Yakan, Volkan Murat Yilmaz, Hali̇t Muğlu, Semi̇ha Yeni̇gün, Hali̇l Kütük

Turkish Journal of Chemistry

This study investigated the influence of synthetic sulfenimides on biodiesel–diesel fuel blends. Three previously synthesized sulfenimide derivatives were structurally characterized using spectroscopic techniques. We evaluated their antioxidant properties through phosphomolybdenum activity and reducing power capacity assays. The tested fuel samples were designated as D100, B10D90, B10D90_AA (ascorbic acid), B10D90_3, B10D90_2, and B10D90_1. The effect of adding 2000 ppm of the additive was measured using an Oxifast instrument following the ASTM D7545 standard, and the results were compared to those of the chemical antioxidant ascorbic acid. Inhibition time values were derived from the oxidation stability results. The starting temperatures for crystallization …

Investigating The Structure And Bioactivity Of Lanthanum Coordination Compounds, Shantanu Kadam, Bhushan Dhale, Bapu Yamgar, Swaminath Bhattar

Turkish Journal of Chemistry

Lanthanum metal complexes were synthesized using a classical condensation method by reacting lanthanum nitrate salts with a bidentate ligand in a 1:2:1 molar ratio (M:L:L). The formation and structure of the resulting complexes were confirmed through a combination of analytical techniques, including Fourier transformation infrared spectroscopy, thermal gravimetric analysis, X-ray diffraction, elemental microanalysis, and scanning electron microscopy. The lanthanum complexes synthesized exhibited strong in vitro antimicrobial activity. Antibacterial screening showed inhibition zones of 18–26 mm against Staphylococcus aureus and Escherichia coli, surpassing those of the reference drug ciprofloxacin (16–20 mm). Antifungal studies demonstrated inhibition zones of 15–23 mm against Candida …