Pharmacology, Toxicology and Environmental Health Commons^™

Method Development And Optimization For The Detection Of Synthetic Cannabinoids In Hair Using Lc-Msms, Linda K. Obeng

Student Theses

Synthetic cannabinoids represent one of the most prevalent and high-risk classes of New Psychoactive Substances (NPS), continuously evolving in structure and potency. Their widespread presence in seized materials and toxicology casework underscores the growing need for reliable analytical methods capable of detecting these compounds in biological matrices. Hair offers several advantages for drug testing, including a long detection window, minimal invasiveness, and resistance to adulteration; however, detecting synthetic cannabinoids in hair remains challenging due to their low incorporation levels and structural diversity. This study focuses on the method development and optimization of an LC-MS/MS technique for the detection of selected …

Grapes Cure Cancer: My First Molecular Docking Analysis Of Resveratrol Binding To Anti-Apoptotic Protein Bcl-2: In Silico, Sydni Ann Kolokoltsev, Vishwas Joshi

Publications and Research

B-cell lymphoma 2 (BCL-2) is an anti-apoptotic protein frequently overexpressed in cancer, enabling tumor cells to evade programmed death. Resveratrol, a grape-derived polyphenol, has reported anticancer properties. Here we performed in silico docking of resveratrol to human BCL-2 using AutoDock Vina. The best-ranked pose exhibited a predicted binding free energy of 8.0 kcal/mol and formed at least one short hydrogen bond (~1.8 Å) with pocket residues. These results support further evaluation of resveratrol as a potential modulator of BCL-2-mediated apoptosis.

Fast & Forensic: Rapid Detection & Quantitation Of 30 + Emerging Novel Psychoactive Substances In Hair Using Lc-Ms/Ms, Seokjin Hwang

Student Theses

The continuous emergence of novel psychoactive substances (NPS) poses a significant challenge for forensic and clinical toxicologists, due to their structural diversity, rapid turnover on the illicit drug market, and limited toxicological information. Hair is a powerful matrix for retrospective drug exposure assessment and monitoring NPS worldwide. Not only does it provide a broad window of detection but also a simple sample exchange amongst laboratories. However, the extraction of multi-class NPS in a single method remains an analytical challenge. Therefore, there is an urgent need for extraction techniques and analytical methods that are both rapid and capable of multi-class quantitation …

Living Heritage, Resilience And Ethically Informed Infrastructures In Malawi, Martha B. Lerski, Frank Puluputu Mwale

Publications and Research

Rooted in a rural community’s needs, this paper explores how historically, and ethically informed infrastructures can support community engagement towards identification, documentation, and dissemination of local, traditional, and indigenous knowledge relating to climate change. The paper examines climate adaptation and sustainability issues through the lenses of community organizing and Library & Information Science best practices. It draws on a growing body of literature identifying a role for expanded epistemological and subject discipline perspectives. While the impacts of climate on material culture are increasingly recognized, intangible, and biocultural heritage have not received as much attention. Living heritage traditions and knowledge systems …

Quick And Easy Method For The Determination Of Cocaine And Six Metabolites In Postmortem Hair, Samantha C. Mulkeen

Student Theses

Hair testing is increasing in popularity in toxicology because of its long window of detection and ease of collection and sample storage. However, it has its limitations largely due to external contamination of drugs. In particular, cocaine (COC) is a common offender of this as it has several routes of consumption. Analyzing metabolites of COC may be the key to distinguishing between consumption and external contamination. The aim of the present study was to develop a quick, easy, and sensitive method for the detection and quantification of COC, benzoylecgonine (BE), norcocaine (NCOC), cocaethylene (CE), anhydroecgonine methyl ester (AEME), meta-hydroxy-cocaine (m-OH-COC), …

Pfas Levels In Hair: Comparing Us Populations To Global Trends, Ashef Ameer

Student Theses

Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals that raise significant toxicological concerns due to their environmental persistence and potential health hazards. This research examines the presence and concentration of selected PFAS compounds in human hair samples from volunteers in New York, comparing these results with global trends found in peer-reviewed research. Hair was selected as the biological matrix for its non-invasive collection method, ability to reflect exposure, and long-term chemical stability. For analysis, a validated LCMS/ MS technique was utilized to analyze hair samples (n = 27) for three compounds: perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), and perfluoroheptanoic acid …

A Qualitative Nmr And Histological Analysis Of Adipocere Formation In Different Aqueous Environments Using Sus Scrofa Models, Mia M. Sorrentino

Student Theses

Adipocere is a wax-like crust that has the potential to form over corpses in moist, humid, and anaerobic environments, preserving them in a process similar to that of mummification. The substance can be identified within 3-6 months postmortem and is characterized by the ratio of saturated fatty acids to unsaturated fatty acids. Palmitic acid and stearic acid are the most abundant in comparison to myristic and oleic acids. The goal of this study was to investigate factors affecting adipocere formation in different aqueous environments. Pork belly samples were submerged in water samples collected from different places around New York City …

Adaptation For Whom? Understanding The Impacts Of Dyke Policies On Small-Scale Farmers In Ca Mau Province Of Vietnam, Nguyen Minh Quang, Nguyen Van Minh, Nguyen Vo Chau Ngan, Martha B. Lerski

Publications and Research

Low-lying deltas worldwide are extremely vulnerable to sea-level rise. As the risks of climate-induced flooding become increasingly clear, the thirst for infrastructure-driven adaptation increases. This highlights a patent need to understand the impacts of engineering adaptation solutions, especially those targeting built structures such as dykes and sluices, on farmers from a bottom-up, farmer-centred perspective. The study addresses this call by examining cases where dyke policies, while successful in some dimensions, have undermined small-scale farmer livelihoods in Ca Mau ― Vietnam’s southernmost rural province. It identifies areas in need of attention and adds empirical data related to this group of farmers. …

Comparison Of Methods For Amphetamine Enantiomer Analysis Using Hplc And 1h-Nmr, Martin Mai

Student Theses

A molecule is chiral if it cannot be superimposed on its mirror image. Chiral drugs exist as these mirror image enantiomers, which can differ in their pharmacological effects. When a drug’s active molecule exists as a pair of enantiomers, the relative ratio of each enantiomer in the final product can provide information about the source of production for this drug, i.e., whether the drug was legally or illegally produced. However, typical detection methods may not differentiate between enantiomers of a chiral molecule. This thesis study compares three different methods for enantiomer detection of amphetamine, which is a drug often prescribed …

Incorporating Solvation Thermodynamic Mapping In Computer-Aided Drug Design, Yeonji Ji

Dissertations, Theses, and Capstone Projects

Advancements in computational techniques have revolutionized structure-based drug design, substantially improving the efficiency and effectiveness of the drug discovery process by reducing time, costs, and labor requirements. These advancements include various methods, such as investigating small molecule ligands binding to proteins, exploring alternative protein conformations, and solvation mapping on the protein surfaces. Among these methods, understanding the correlation between protein-ligand binding and the role of solvation is important.

A fundamental concept in protein-ligand binding is shape and electrostatic complementarity, which is complicated by the inherent flexibility of proteins. In the absence of small molecule ligands, proteins are complementary to surface …

Investigation Of The Prevalence Of Fentanyl Analogs In A Drug Testing Population Using Liquid Chromatography Tandem Mass Spectrometry (Lc-Ms-Ms), Ivan Cordova

Student Theses

This study serves to determine the prevalence of novel fentanyl analogs that are present within a drug testing population in New York State. Samples were analyzed using liquid chromatography tandem mass spectrometry (LC-MS/MS) to qualitatively determine the presence of various possible fentanyl analogs. The sample preparation of this assay consisted of a simple dilute and shoot. This method of sample preparation can be quicker, eliminating sample preparation times as well as being less financially strenuous to clinical laboratories as it eliminates the need for various solvents and solid/liquid phase cartridges. The assay was aimed to see if analytes can be …

A Randomized Double Blind Placebo Controlled Trial To Assess The Safety And Efficacy Of A Patented Fenugreek (Trigonella Foenum-Graecum) Seed Extract In Type 2 Diabetics, Rajinder Singh Gupta, Amarjit Singh Grover, Pawan Kumar, Apurva Goel, Samudra P. Banik, Sanjoy Chakraborty, Mehul Rungta, Manashi Bagchi, Partha Pal, Debasis Bagchi

Publications and Research

Background: Fenugreek plant (Trigonella foenum-graecum) constitutes a traditionally acclaimed herbal remedy for many human ailments including diabetes, obesity, neurodegenerative diseases, and reproductive disorders. It is also used as an effective anti-oxidative, anti-inflammatory, antibacterial, and anti-fungal agent. The seed of the plant is especially enriched in several bioactive molecules including polyphenols, saponins, alkaloids, and flavonoids and has demonstrated potential to act as an antidiabetic phytotherapeutic. A novel patented formulation (Fenfuro^®) was developed in our laboratory from the fenugreek seeds which contained >45% furostanolic saponins (HPLC).

Objective: A placebo-controlled clinical compliance study was designed to assess …

Hairry Potter World: Are Gel And Oil The Sorcerers Magic To Altering External Cocaine And Be Concentrations In Hair, Esther Abady

Student Theses

Hair external contamination poses significant challenges to the interpretation of hair testing results. Previous studies have shown that cosmetic hair treatments can reduce the concentration of drugs already present in the hair shaft. However, the impact of these treatments on externally deposited drugs remains largely unexplored. This study aimed to investigate how gel and oil treatments affect external contamination by cocaine and benzoylecgonine. Fifteen authentic hair samples, with various colors and textures, were collected from volunteers and confirmed negative for cocaine and benzoylecgonine using a fully validated LC-MS/MS method. Each sample was divided into three groups: Group A underwent a …

Pipecolic Acid And Novel Insights Into Cerebral Malaria, Akua E. Mensah

Theses and Dissertations

Cerebral malaria (CM), a severe manifestation of Plasmodium infection, prompts our investigation into the nuanced role of pipecolic acid in its pathophysiology. To unravel the molecular intricacies, we conducted in vitro lysine labeling techniques of mice infected with P. berghei ANKA parasites, and human P. falciparum grown in vitro, aiming to discern the impact of Plasmodium on pipecolic acid production. Previous observations indicated an elevation in pipecolic acid levels correlating with neurological decline in children with CM. In our study, confirming elevated pipecolic acid presence in the plasma and brain tissues of CM patients and the animal model of CM, …

Determination Of Common Drugs Of Abuse And Metabolites In Oral Fluid: Comparison Of Different Extraction Procedures, Melissa Koffer

Student Theses

Oral fluid has been gaining importance in forensic and clinical toxicology for many different drug testing scenarios. Oral fluid is composed of saliva, along with gingival fluid, bacteria, and food residues. Drug testing using oral fluid has many advantages over other matrices (blood, urine) such as the non-invasive collection, reduced risk of tampering, and shorter detection windows which show recent drug use. The purpose of this study was to develop an analytical method for the determination of 19 drugs of abuse and metabolites in oral fluid by liquid chromatography tandem mass spectrometry (LC-MS/MS) and compare three different extraction methods: liquid-liquid …

Nanoparticles For Applications In Specific Diagnostics And Precision Medicine, Naxhije Berisha

Dissertations, Theses, and Capstone Projects

Heterogeneity is common in the expression of cancer and treatment response. Precision medicine enables healthcare providers to tailor medical care to an individual's distinct genetic and environmental makeup. This customization has the potential to result in more efficient treatments while minimizing side effects. We believe that by studying the interface of nanotechnology and cancer medicine we can elucidate innovative solutions that address the challenges of disease heterogeneity. This includes advancements in drug delivery, formulations development, and diagnostic sensing. We highlight three studies that use nanotechnology for applications in precision medicine. In Chapter 2, we highlight design optimization of drug formulations …

Analyzing The Effects Of Data Variability & Volume On Predicting Particulate Matter (Pm2.5): Insights From A Machine Learning Approach, Jada A. Macharie

Theses and Dissertations

Accurately predicting PM_2.5 concentrations are imperative to the future of public health and environmental policies. Machine learning models incorporating spatial and temporal datasets to predict PM_2.5 are often limited by data availability constraints and poor resolution satellite imagery.

Delta-9-Tetrahydrocannabinol And Cannabidiol Effect On Dopamine Transporter Expression And Function, Delia M. Guzman

Student Theses

Drug addiction is a major endemic crisis in the United States with a higher prevalence than any other country. Marijuana and hallucinogens make up a great percentage of the drugs of abuse in Americans ranging from 15 to 64 years old. Marijuana contains over 500 active compounds that contribute to its effects, the major components being delta-9-tetrahydrocannabinol (Δ-9-THC) and cannabidiol (CBD). Understanding the pharmacological mechanism as well as the effects that they elicit through the dopaminergic reward system is a key factor in being able to understand why addiction is so prevalent in our society. This research was aimed to …

The Method Development And Validation Of Designer Benzodiazepines In Oral Fluid Using Solid Phase Extraction And Lc-Ms/Ms, Jenna L. Monsell

Student Theses

Oral fluid is a useful biological matrix. Collection is non-invasive, quick, observable, and its correlation between oral fluid and blood drug concentration make oral fluid an important matrix to use as a roadside test. Designer benzodiazepines have become increasingly popular over the years, adversely affecting motor skills and leading to driving under the influence. Many previous studies have focused on the method development and validation of designer benzodiazepines in blood and hair but fail to validate a method to detect designer benzodiazepines in oral fluid. This study focuses on the method validation of 13 designer benzodiazepines in oral fluid using …

Hair And Drugs: The Impact Of Dry Shampoo And Gel On Cocaine-Contaminated Hair, Marialejandra Faure Betancourt

Student Theses

Hair is a biological sample used in forensic toxicology to identify and quantify drug exposure. However, when interpreting analytical results, hair can be challenging due to the presence of external contamination. Previous studies have shown that cosmetic treatments remove drugs within the hair shaft decreasing their concentration. Nevertheless, not enough information is available to explain this phenomenon. This study focused to determine whether cosmetic products such as dry shampoo and gel influence the concentration of externally deposited cocaine (COC) and benzoylecgonine (BE) in different hair types/colors. Hair samples from fifteen COC-free volunteers of various hair colors/types were collected and divided …

Comparison Of Hydrolysis Efficiency And Performance Of Four Recombinant Β- Glucuronidase Enzymes For The Detection Of Opioids In Urine Samples By Lc-Ms/Ms, Christina Fernandez

Student Theses

The United States has been experiencing a nationwide public health crisis since introducing prescription opioids in the 1990s. A central problem with opioids is their highly addictive nature causing a dose-dependent respiratory depression leading to overdoses and deaths. Drug overdose deaths have risen in the past two decades, with opioids being the dominant driver of this epidemic. Given the circumstances, accurate and efficient confirmatory analysis of opioids in urine is essential to monitoring patients’ compliance and preventing drug diversion in clinical and forensic settings. The development of recombinant β-glucuronidases allows for the hydrolysis of glucuronidated opioids using a shorter incubation …

Leveraging Bio-Inspired Molecules For Cancer Theranostics, Douglas S. Macpherson

Dissertations, Theses, and Capstone Projects

A variety of molecules can be radiolabeled and delivered to a cancer site for the purposes of diagnostics and therapy. Among the most promising of tumor targeting molecules are peptides and antibodies. These bio-inspired molecules can be designed and synthesized to target and respond to cancer cells based on the properties of those cells. Matrix metalloproteinase (MMP) enzymes are over-expressed by some metastatic cancers, in which they are responsible for the degradation and remodeling of the extracellular matrix. In recent years, MMPs have emerged as promising targets for enzyme-responsive diagnostic probes because oligopeptides can be designed to be selectively hydrolyzed …

Chemical, Microbial And Safety Profiling Of A Standardized Withania Somnifera (Ashwagandha) Extract And Withaferin A, A Potent Novel Phytotherapeutic Of The Millennium, Pawan Kumar, Samudra P. Banik, Apurva Goe, Sanjoy Chakraborty, Manashi Bagchi, Debasis Bagchi

Publications and Research

Background:Withania somnifera (L.) Dunal, popularly known as Ashwagandha, is an ethnomedicinal plant with multiple pharmacotherapeutic applications. The diverse medicinal properties of the plant are largely due to the presence of withanolides, a group of C28 ergostane based steroidal lactones, with several sites of unsaturation and oxygenation. Withaferin A, a major with anolide present in Ashwagandha plant accounts for its emerging new roles to treat cancer, arthritis, inflammatory responses, immunomodulatory properties, and neuronal disorders. The root and leaf extracts are specifically important constituent materials for the development of phytotherapeutics, mostly intended for oral consumption. Several studies have been carried out …

Quantification Of Phosphatidylethanol In Whole Blood And Dried Blood Spots By Lc-Ms/Ms, Elizabeth Yulianto

Student Theses

Phosphatidylethanol (PEth) is an alcohol biomarker that provides a longer window of detection than direct alcohol measurement or other common alcohol metabolites, like ethyl glucuronide. PEth has become useful in assessing drinking history, such as for alcohol-withdrawal treatment, organ transplant settings or prenatal alcohol exposure determination. A method was developed and validated to quantify PEth 16:0/18:1 and 16:0/18:2 in whole blood and dried blood spots (DBS) by liquid chromatography tandem mass spectrometry (LC-MS/MS). The whole blood method was applied to 149 samples from pregnant women, elucidating possible prenatal alcohol exposure. Fifty μL whole blood and 12.7 mm whole punches from …

Effectiveness And Safety Of Direct Oral Anticoagulants Among Patients With Non-Valvular Atrial Fibrillation And Multimorbidity, Amol Dhamane, Mauricio Ferri, Allison V. Keshishian, Cristina Russ, Nipun Atreja, Cynthia Gutierrez, Birol Emir, Huseyin Yuce, Manuela Di Fusco

Publications and Research

Introduction

In the USA, there is a steady rise of atrial fibrillation due to the aging population with increased morbidity. This study evaluated the risk of stroke/systemic embolism (S/SE) and major bleeding (MB) among elderly patients with non-valvular atrial fibrillation (NVAF) and multimorbidity prescribed direct oral anticoagulants (DOACs).

Methods

Using the CMS Medicare database, a retrospective observational study of adult patients with NVAF and multimorbidity who initiated apixaban, dabigatran, or rivaroxaban from January 1, 2012 to December 31, 2017 was conducted. High multimorbidity was classified as having ≥ 6 comorbidities. Cox proportional hazard models were used to evaluate the hazard …

The Impact Of Pharmacogenetics On Oral Fluid Steady State Drug Testing Results, Aliya D. Lewis

Student Theses

Pharmacogenetics refers to the relationship between phenotypic variation in metabolism and response to certain drugs. The interface of pharmacogenetics and forensic toxicology is not well explored. A major component of the opioid metabolic pathway has to do with a family of cytochromes called cytochrome P450 (CYP450). CYP450 refers to a general family of enzymes capable of catalyzing the oxidative biotransformation of lipophilic substances, CYPs are further categorized into families and sub-families (Roller, 2015; Zanger & Schwab, 2013). The gene CYP2D6 belongs to the CYP2 family which is responsible for the biotransformation of xenobiotics. This study looked at the effect of …

How Will Climate Change Affect The Future, Ashanti K. Belone, Farrukh Zia

Publications and Research

Climate Change has played a massive role in the habitat of us earth dwellers and the animals that co-exists with us. I believe that essentially climate change plays a massive role because this can dictate whether or not the earth is habitable and if a need for evacuation is necessary. Many might believe that climate change only refers to the rising temperature but that’s just the icing on the cake. Earth is a system that is very much connected, this means that changes in one area will set off a chain reaction allowing these changes to happen in many other …

A Polypharmacological Approach To Relapse Prevention In An Animal Model Of Heroin Addiction, Scott T. Ewing

Dissertations, Theses, and Capstone Projects

Chemical compounds that target dopamine (DA) D1 or D3 receptors have shown promise as potential interventions in animal models of cue-induced relapse. However, undesirable side effects or pharmacodynamic profiles have limited the advancement of new compounds in preclinical studies when administered as independent treatments. In this series of experiments, we explored the effects of co-administration of a D1-recepter partial agonist (SKF 77434) and a D3-receptor antagonist (NGB 2904) in heroin-seeking rats within a ‘conflict’ model of abstinence and cue-induced relapse. Rats were first trained to press a lever to self-administer heroin and drug delivery was paired contingently with cues (e.g., …

Expulsive Greening: A Cross-Sectional Analysis Of Green Gentrification In The Resilience Paradigm, Brooklyn 2010–2020, Rose Jimenez

Dissertations, Theses, and Capstone Projects

Background: This project analyzes the spatial coincidence between gentrification typologies and urban greening in Brooklyn, New York from 2010 to 2020. Assets formed under the NYC Green Infrastructure Program were chosen as a proxy for urban greening to represent the spatial practice specifically within the 21st-century climate change resilience paradigm of development. Methods: First, five indexes measuring variations of economic and demographic conditions related to gentrification were applied to Brooklyn for comparative analysis: NOAA’s Social Vulnerability Indicators of Gentrification Pressure, The NYC Heat Vulnerability Index, The Small Area Index of Gentrification, Typologies of Gentrification and Displacement, and The Housing Risk …

Novel Therapeutic Strategies For Alzheimer’S Disease: Prostaglandin D2 Signaling And Its Human Polymorphisms As Well As A Polypharmacological Approach, Charles H. Wallace

Dissertations, Theses, and Capstone Projects

Alzheimer’s disease (AD) is an age related neurodegenerative disease with pathology that includes amyloid plaques, neurofibrillary tangles and non-resolving neuroinflammation. Non-resolving neuroinflammation lasts the entire course of the disease and has deleterious effects and is often thought to accelerate AD pathology. Non-Steroidal Anti-inflammatory Drugs (NSAIDs) have commonly been used as therapeutics to treat pain, inflammation and vascular. NSAIDs work by altering the cyclooxygenase (COX) mediated biosynthesis of prostaglandins which are lipid mediators that have many physiological functions, for example nociception, inflammation and vasodilation. Epidemiological studies support the notion that NSAIDs could be used to treat AD. Yet, clinical trials using …