Organic Chemicals Commons^™

Phytochemical And In-Vitro Cytotoxic Analyses Of Flavonoid Species Isolated From Chromolaena Leivensis, Luke A. Bryant

Electronic Theses and Dissertations

As a leading cause of death worldwide, cancer and its treatments remain a primary source of interest among researchers. Modern studies are looking into bioselective cytotoxicity to create new chemotherapies that do not have the same harsh side effects as those we use today. Natural product research has a promising future for the development of such treatments. Specifically, polar flavonoids may be the key to a bioselective treatment. Such flavonoid species are native to plants, often within flower petals or within the body. A natural antioxidant, they are designed not to harm healthy cells. This study focuses on the plant …

Analysis Of Terpenes In Cannabis Flowers Using Gas Chromatography Via Headspace-Solid Phase Microextraction (Hs-Spme), Hannah I. Bergner

Forensic Science Master's Projects

As cannabis commercialization grows, rigorous profiling of cannabinoids, terpenes, and chemical contaminants is legally required for industry standardization and consumer safety. Terpenes are highly volatile components that dictate the unique aromatic profiles and therapeutic properties of cannabis via receptor pathways. This project focused on a gas chromatography-flame ionization detector/mass selective detector (GC-FID/MSD) combined with headspace-solid phase microextraction (HS-SPME) sampling to analyze terpenes present in four cannabis samples. Cannabis samples were tightly sealed in vials (10 mL) and heated to vaporize terpenes in the headspace above the samples, followed by the extraction of the vaporized terpenes using a polydimethylsiloxane (PDMS)-coated SPME …

Greener Synthesis Of Pdi Ligands Using A Microwave Reactor, Gabrielle E. Leonhardt, Abbigale S. Holjes, Kyle A. Grice

DePaul Discoveries

Two pyridinediimine (PDI) ligands were synthesized using green chemistry principles to minimize environmental impact and maintain synthetic efficiency. Previous syntheses require hazardous solvents and long reaction times. The reaction was carried out with a safer solvent, ethanol, and more rapidly using a CEM Discover microwave reactor. The PDI ligand was chosen for the scaffold for the aromatic core and support for different aniline derivatives. Comparative investigation of aniline electronics showed that 2,6-dimethylaniline was more successful than the electron-withdrawing electronics of 2,6-dichloroaniline. Synthesized complexes were characterized with proton nuclear magnetic resonance (NMR). The environmentally conscious microwave reaction produced effective and reproducible …

Identification Of Active Compounds And Antidiabetic Activity Of Red Shoot (Syzygium Myrtifolium) Leaves Extract With In Vitro And In Silico Methods, Muhamad Iqbal Prakoso, Siti Warnasih

Pharmaceutical Sciences and Research

Diabetes mellitus (DM) is a chronic metabolic disease that affects approximately 537 million people worldwide (1 in 10 individuals), and its prevalence is projected to reach 783 million by 2045. One of the plants that has the potential to be an antidiabetic is red shoots (Syzygium myrtifolium) since it contains various secondary metabolite compounds such as flavonoids, triterpenoids, steroids, saponins, phenolics, and anthocyanins. This study aimed to evaluate the antidiabetic properties of red shoot leaves extract and to identify and predict interactions between its active compounds and the α-glucosidase receptor. Ethanol, ethyl acetate, and n-hexane extracts of red …

Tranexamic Acid In High-Risk Shoulder Arthroplasty Patients: Safety Across Thromboembolic, Cardiac, Renal, And Neurologic Risk Profiles, Tarishi Parmar, Akin Adio, Asim Handy, Mohammad Daher, Alec Kellish, Adam Khan, Joseph A. Abboud

Rothman Institute Papers

INTRODUCTION: Tranexamic acid (TXA) effectively reduces blood loss and transfusion requirements in shoulder arthroplasty. However, concerns regarding thromboembolic, neurologic, cardiac, and renal complications have limited its use in medically high-risk patients. This study evaluated temporal trends and the safety of TXA in high-risk patients undergoing total shoulder arthroplasty (TSA).

METHODS: A retrospective cohort study was conducted using TriNetX, identifying patients who underwent shoulder arthroplasty (2012-2025). Patients were stratified by preexisting high-risk conditions, including prior thromboembolism, renal failure, atrial fibrillation, seizure disorders, and visual disturbances. Within each subgroup, patients receiving TXA were propensity score-matched to those who did not. Perioperative TXA …

Quantifying Black Carbon Concentrations In Georgia And Analyzing Associated Public Health Risks, Khloe R. Osborne

Honors Theses

Quantifying Black Carbon Concentrations in Georgia and Analyzing Associated Public Health Risks

One of the most daunting challenges of the industrial world is air pollution. Within this broad spectrum, there is an inhalable particle group named PM2.5, which contains black carbon. Black carbon has evidence that supports the generation and worsening of adverse health impacts, which may include birth complications, cognitive deficits in children, pulmonary aggravation, asthma, cardiovascular issues, neurological degenerative patterns, and cancer risk. This is especially seen in vulnerable populations, like children, elderly, and those who already suffer from weakened health, many of which reside in the southern …

Bioactive Constituents And Pharmacological Activities Of Curcuma Zedoaria: A Mini-Review, Abdulmutalib Allaq, Muneer M. Saleh Mohammed Saleh Alsayadi, Mustapha Salihu, Hasan M. Agha, Amena Hassan Hassan Gheeth, Fatimah Salim, Norrizah Jaafar Jaafar Sidik

AUIQ Complementary Biological System

Curcuma zedoaria Rosc. (white turmeric) is a rhizomatous medicinal plant in the Zingiberaceae family, widely used in traditional Asian medicine. In recent years, increasing scientific attention has focused on its diverse pharmacological properties and bioactive constituents. This mini review summarises current knowledge of the phytochemical composition and biological activities of C. zedoaria, with particular emphasis on its antimicrobial, antioxidant, anti-inflammatory, and anticancer effects. Phytochemical investigations using analytical techniques such as GC–MS and HPLC have revealed the presence of numerous bioactive compounds, including sesquiterpenes (example, germacrone, curzerenone, and curdione) and curcuminoids, which contribute to its therapeutic potential. Experimental studies demonstrate …

Synthesizing Fluorescent 3,4-Dihydropyrimidin-2(1h)-Ones Using A One-Pot Synthesis Reaction, John R. Griggs

Create@State

In medical and pharmaceutical practices, Biginelli (3,4-dihydropyrimidin-2(1H)-ones) products have a number of potential uses due to their anticancer and anti-inflammatory properties.  In addition, they are a possible treatment for acquired immunodeficiency syndrome (AIDS). These compounds can be further modified to exhibit fluorescent properties. However, before using them in medicinal studies, it is useful to establish a procedure that can easily be modified and is synthetically accessible to allow for further optimization. The experiment was performed using the Biginelli compounds as a substrate, along with a variety of aromatic aldehydes and acids. After obtaining the products and purifying them with vacuum …

A Study Of Awareness Of Antiseptics And Disinfectant Use Among Allied Health Sciences Students And Interns Of A Tertiary Care Hospital, Pooja M, Puneeth A, Sharmi Nm

Digital Journal of Clinical Medicine

Background:

Antiseptics and disinfectants are among the most vital tools in infection prevention and control (IPC), especially in healthcare settings where the risk of hospital-acquired infections (HAIs) remains a significant concern. This study aims to assess the awareness and knowledge of antiseptics and disinfectants among Allied Health Sciences (AHS) students and interns, identify knowledge gaps at different stages of training, and recommend educational interventions.

Methods:

This was a cross-sectional, questionnaire-based study conducted among 1st to 3rd-year AHS students and interns at a tertiary care hospital. Data were collected using a validated questionnaire via a Google form after obtaining approval from …

Cytotoxic And Antimicrobial Effects Of Plant-Derived Compounds Used In Traditional Chinese Medicine, Amanda Ly, Diane Sun, Shelbi Salinas, Victor M. Jimenez

Annual Research Symposium

No abstract provided.

Protein Allostery Probed By Ligands Across Sites, Virgil A. Woods

Dissertations, Theses, and Capstone Projects

Allostery is a pervasive regulatory principle throughout biology, yet the structural pathways by which distal inputs alter active‑site chemistry within protein structures remain incompletely defined and exploited. This dissertation uses protein tyrosine phosphatase 1B (PTP1B) as a tractable model to map those pathways with complementary experimental and computational tools. I integrate high‑resolution hydrogen-deuterium exchange mass spectrometry (HDX-MS), room-temperature crystallography, NMR, steady-state kinetics, crystallographic pseudo-ensembles, and machine-learning-guided ligand discovery. The working premise is that regulation reflects redistribution within a conformational ensemble rather than a binary switch. That orthogonal perturbations by small molecules, mutations, and protein partners can be used to both …

Disease Burden Of Asthma Patients Utilizing Short-Acting Beta-2 Agonist-Only Inhalers As Rescue In The United States, Njira Lugogo, Rena C. Moon, Yen Chung, Joy David, Omar Motawakel, Ning A. Rosenthal, Neil Skolnik

Department of Family & Community Medicine Faculty Papers

Purpose: We aimed to describe the disease burden of asthma and examine relationships between short-acting beta-2 agonist (SABA) use and asthma exacerbations. Patients and Methods: This retrospective cohort study used geographically diverse Premier Healthcare Database (PHD) and linked insurance claims (10/01/2021-09/30/2022) for US patients aged ≥18 years with a SABA-only prescription and a history of asthma exacerbation within 12 months before index date (the earliest SABA prescription date). Three asthma control groups were defined based on SABA usage: well controlled-low (0–1 prescriptions), not well controlled-medium (2–3 prescriptions), very poorly controlled-high (≥4 prescriptions). Four asthma severity groups were defined using asthma …

Investigating The Role Of Humic Acid In The Adsorption Mechanics Of Acetaminophen On Potassium Persulfate-Aged Polyethylene Terephthalate (Pet), Andrew Littleton, Maria Danielle Garrett, Phd

SPARK Symposium Presentations

Pharmaceutical contaminants such as acetaminophen (APAP) are showing a rising presence in aquatic environments, where their interactions with microplastics (MPs) can potentially modulate natural degradation mechanisms. Concurrent presence of the two substances has been shown to potentiate increase their individual harmful effects. This study investigates whether oxidative aging and humic-acid surface modification of PET microplastics influence APAP adsorption.

In this study, UV-aging was reproduced using an iron (II)-activated potassium persulfate (Fe(II)-KPS) oxidation system. Aqueous dissolved organic matter (DOM) is simulated using multi-hour exposure to humic acid. The MPs are then removed from the solution to examine adsorption mechanisms. While most …

Development Of Tunable Rose Bengal Based-Nanogumbos As Potential Selective Chemotherapeutic Agents, William J.A. Russell

Honors College Theses

As cancer remains one of the greatest threats to the global population, the development of chemotherapeutic agents that are selective and tunable is of critical importance. Herein, a series of Rose Bengal (RB)-based GUMBOS, a group of uniform materials based on organic salts, were synthesized via counterion exchange between [Na]₂[RB] and three organic cations: tetrabutylphosphonium bromide [TBP][Br], tetraphenylphosphonium chloride [TPP][Cl], and 1-dodecyl-3-methylimidazolium chloride [C₁₂MIm][Cl]. The resulting GUMBOS were characterized through FT-IR, ESI-MS, NMR, and UV-Vis Spectroscopy. Partition coefficient studies indicated all GUMBOS exhibited hydrophobic physiochemical characteristics. These hydrophobic RB-based GUMBOS …

Synthesis And Characterization Of Succinate Dehydrogenase Inhibitors H2/Z14 And C6/Z96 In Order To Combat Small Cell Lung Cancer, Lauren M. Graves

Honors Undergraduate Theses

The use of ubiquinone inhibitors to combat cancer is a recent development in medicinal science and procedures to efficiently synthesize these drugs remain limited. C6/Z96 and H2/Z14, two succinate dehydrogenase inhibitors, have been previously tested in vitro against NSCLC with positive results. Their similarity to ubiquinone is what makes them a strong candidate for a succinate dehydrogenase inhibitor at the ubiquinone binding site. The heterocyclic scaffolds and substituents are proposed to bind strongly through a combination of electronics, hydrogen-bonding, and fit, allowing them to bind well and prove to be more favorable than ubiquinone when competing for the Q-site. By …

Investigating The Role Of Traditional Chinese Herbal Medicine For Cancer Symptom Management In Older Adults: A Rapid Review, Isabelle C. Karshner

Honors Undergraduate Theses

Background: Patients with cancer often experience symptoms related to disease, complications, and treatment. One potential method of alleviating these symptoms is traditional Chinese herbal medications (TCHM). This rapid review explores the role of traditional Chinese herbal medications in treating cancer-related symptoms in older adults.

Purpose: The purpose of this rapid review is to gain and provide a better understanding of the effects of TCHM on cancer-symptom management in the older adult population. This review explores the association between TCHM and effects on cancer symptoms in older adults, including interactions, toxicity, and signs/symptoms of TCHM use that may be useful information …

Studies Towards Chemical Synthesis Of Homogeneous Prion Glycoprotein, Baotong Tian

Electronic Theses & Dissertations (2024 - present)

Prion diseases are fatal neurodegenerative disorders initiated by conformational misfolding of the prion protein (PrP), which generates pathogenic conformers that propagate via templated conversion and accumulate as aggregates. Glycosylation can modulate the PrP folding energy landscape, thereby biasing folding trajectories and the distribution of resulting conformational states. Bank vole PrP contains two N-linked glycosylation sites, and disentangling the contributions of site occupancy versus glycan structure requires homogeneous, site-defined glycoforms. In contrast, biosynthetic expression typically produces heterogeneous glycoform ensembles due to multistep Golgi processing, precluding independent control of glycan identity at each site. Here we report a chemical synthesis strategy of …

Investigation Of Genx Exposure To Pathways Associated With Colorectal Cancer Risk, Emily J. Ferguson

Theses and Dissertations--Toxicology and Cancer Biology

Per- and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants widely detected in drinking water and food sources, resulting in chronic human exposure. Among these compounds, hexafluoropropylene oxide dimer acid (HFPO-DA), commonly known as GenX, has been introduced as a short-chain replacement for legacy PFAS such as perfluorooctanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA). Although GenX is believed to be a safer alternative, emerging research suggests it can still affect human health.

Colorectal cancer (CRC) is the third most commonly diagnosed cancer and the second leading cause of cancer-related death in the United States, highlighting the need to better understand environmental …

Computational Insights Into The Structural Basis For Reduced Hepatotoxicity Of Novel Nonopioid Analgesics, Claire Coderch, Hernan A. Bazán, Nicolas G. Bazan, Bhattacharjee Surjyadipta, Julio Alvarez-Builla, Beatriz De Pascual-Teresa

School of Graduate Studies Faculty Publications

Acetaminophen (ApAP) toxicity arises from the reactive intermediate N-acetyl-p-benzoquinone imine (NAPQI), a degradation product known to cause significant liver damage and kidney injury. This toxicity is a major concern associated with the widespread use of ApAP, a commonly used nonsteroidal anti-inflammatory drug. To address this important issue, a series of novel nonopioid analgesic candidates with reduced toxicity have been recently reported. However, the molecular and atomic-level mechanisms underlying their decreased toxicity remain largely unexplored. In this study, computational analyses is performed to investigate the dynamic behavior, physicochemical properties, and ligand-receptor interactions of these new chemical entities (NCEs). The findings provide …

Total Synthesis Of The Marine Cytotoxic Mansouramycin And Derivatives, Aditya Dantu, Gabriella L. Madrigal, Neel Gondi, David Osazee, Ahmad Amro, Whard Alsabbagh, Shizue Mito

Research Colloquium

Purpose: Isoquinolinequinones are a group of organic compounds which are composed of an isoquinoline fused to a quinone ring. This class of molecules is known to exhibit a wide variety of biological activities, including cytotoxic and antitumor properties. Among the many families of isoquinolinequinones are the Caulibugulones and Mansouramycins, which exhibit anticancer properties and are thus desirable subjects for cancer-related research. They are obtained by isolation from marine bryozoan Caulibugula intermis and marine Streptomyces sp respectively, however these compounds are difficult to extract. Thus, organic synthesis is being explored as a method of obtaining them; this project focuses on the …