Chemicals and Drugs Commons^™

Quantum Rings Simulations Of Cisplatin, Clinton Hutchins, Laci Walmer

Student Scholar Symposium

Cisplatin is a major chemotherapy drug that relies on a platinum-based core to deliver the properties necessary to combat cancer. This platinum-based core creates an undesired toxicity that poses challenges during treatment. The aim of this research is to employ quantum simulations to explore the stability of biochemicals such as cisplatin and predict their binding affinities for targets of interest. Variational Quantum Eigensolver (VQE) simulations are used to explore if the substitution of a core like Au or Pd are possible to retain anticancer efficacy but reduce its toxicity. With the use of these quantum simulations, we can run different …

Exploration Of Euclidean Distances In Five-Dimensional Color Space As Proof-Of-Concept For Identification Of Promising Alternatives To Platinum-Based Cancer Drug Candidates, Kiomi Tanakura, Elena G. Harvey

Student Scholar Symposium

Cisplatin, cis-Pt(NH₃)₂Cl₂, is one of the most successful anticancer drugs of all time. However, it has some negative aspects, including toxicity to healthy cells, side effects, and cost. Our goal in this project is to design metal-based anticancer drugs that would be less expensive, less toxic, and more efficient for cancer patients than cisplatin. To begin this research we calculated Euclidean distances - as used by computerized recognition systems - to compare the properties of colors within seasonal palettes that are proven and visible to the eye. These Euclidean distances were then used …

6ppd-Quinone In Middle Tennessee Waters: Assessing Ecological Impact, Andrew Davis Todd, Raphael Marquise Chandler, Kerolos Gerges Basalos, Denise Lori Loewinger

Student Scholar Symposium

This poster presents the dangers of a toxic chemical used on car tires that is entering aquatic ecosystems and harming fish populations.

Investigation Of Aldehyde Oxidase Inhibition By Clopidogrel And Its Thiol Metabolite, Rachel Crouch, Merna Kamal, Hilina Woldeamanuel

Student Scholar Symposium

Aldehyde oxidase (AO) is an enzyme that metabolizes drugs containing aromatic azaheterocycles. Small thiol-containing molecules have been reported to inactivate AO. Clopidogrel is an antiplatelet agent used to treat cardiovascular diseases. Clopidogrel is a prodrug that is bioactivated in vivo by cytochrome P450 enzymes CYP3A4 and CYP2C19 into a thiol metabolite. Our research aims to explore whether the clopidogrel thiol metabolite can inhibit AO, leading to potential drug-drug interactions when co-administered with other drugs that are metabolized by AO. In order to determine whether the prodrug clopidogrel and/or its thiol metabolite inhibit AO, O6-benzylguanine (AO substrate) was incubated with human …

Have You Had Your Vitamins Today? Development Of An Lc-Ms/Ms Method With A 100% Aqueous Gradient To Simultaneously Measure B Vitamins In Plasma From Study Participants In A “Greens” Nutritional Supplement Clinical Trial, Kennedy Brothers, Abigail Davis, Anna Losher, Yusra Ahmed, Sora Ghanem, Matthew J. Vergne

Student Scholar Symposium

This study assessed the absorption of key micronutrients from the multi-ingredient supplement using a novel developed LC-MS/MS method capable of analyzing B vitamins in a single run.

The study a randomized, double-blind, placebo-controlled crossover trial with 16 healthy participants (8 males, 8 females) to measure plasma nutrient appearance over 8 hours after supplement consumption. Serial blood samples were collected pre-consumption and at specified intervals post-ingestion. The novel LC-MS/MS method simultaneously quantified biotin, nicotinamide, pyridoxine, riboflavin, and thiamin in blood samples.

Results:The LC-MS/MS method had a range of 0.1 ng/mL to 1000 ng/mL and it proved to be robust and …

Investigating The Efficacy Of Mebendazole On C. Elegans: Implications For Anthelmintic Drug Development, Brooke Brewer, Saja Al-Saweily

Student Scholar Symposium

About 1.5 billion people in the world are infected with soil-transmitted helminths, especially those who live in high poverty areas. These infections affect communities with poor access to clean water, sanitation and hygiene in tropical and subtropical areas, keeping them in a state of poverty. Our research focuses on drugs that target the parasitic worms currently approved by the World Health Organization (WHO). The WHO currently only has 4 approved drugs for Mass Drug Administration, due to low profit margins, complex parasite life cycles, and rising drug resistance (World Health Organization 2023). While Mebendazole is effective against many common parasitic …

Isolation And Scale-Up Of Fimh, Audrey Cox, Kerolos Ghobrial, Caroline King

Student Scholar Symposium

No abstract provided.

The Equity Dead Zones: Legal Intersectionality Failure Points In Chapter 13 Bankruptcy, Tearria N. Simmons

The Guardianship Journal

Legal intersectionality failure points describe the systemic fractures that occur where overlapping legal, social, and economic inequalities converge, potentially producing compounded barriers to relief. Each failure point marks a site of marginalization. In what ways do individuals already recognized as vulnerable in Chapter 13 bankruptcy face a heightened risk when multiple forms of disadvantage intersect? When these intersections combine in mutually reinforcing ways—racial, economic, and relational disparities colliding with structural deficiencies in family, property, and bankruptcy law—does it result in pronounced negative outcomes, and, if so, what are those outcomes? Within this convergence, could there be a space where compounded …

Effects Of Pamam Dendrimer Size On Antimicrobial Activity For Acne Treatment, Elise M. Inae

Honors Theses

This study investigated the antimicrobial activity of G1, G2, and G3-Hex-NH2 polyamidoamine (PAMAM) dendrimers with an emphasis on how dendrimer size influenced their efficacy against C. acnes and S. epidermidis. Dendrimers are nano-sized, radially symmetric polymers composed of highly branched units that extend out from a central core. Dendrimers are known to exhibit antimicrobial activity against Gram-negative bacteria by disrupting the lipid bilayer and causing membrane damage. This study explored their effect on a different group of microorganisms–Gram-positive skin flora. Kirby-Bauer disk diffusion tests were performed to evaluate minimum inhibitory concentrations for each dendrimer solution. All generations of PAMAM dendrimers …

Neuropathic Pain And Related Depression In Mice: The Effect Of A Terpene And A Minor Cannabinoid In Combination, Jose Rios, Mohammed Alnoud, Mohammad Hussain, Zayd Ayas, Emmanuel Franco, Justin D. Mills, Joshua Nwose, Maria Sophia Malbas, Hiram L. Garcia, Manish Kumar Tripathi, Khalid Benamar

School of Medicine Publications

Background/Objectives: Neuropathic pain is one of the most severe types of chronic pain. Although it is difficult to manage, it often co-occurs with depression. Yet, no medication addresses the neuropathic pain and depression comorbidity. Therefore, developing integrated treatment strategies that address both pain and depression is a major public health priority and an unmet need affecting millions. Methods: In this study, we investigated the effect of combining a terpene, Beta-Caryophyllene (BCP), and cannabidiol (CBD) on neuropathic pain and associated depression. We employed a chronic constriction injury (CCI) neuropathic pain model and a series of behavioral tests to evaluate …

Assessment Of The Melt Quality Of A 30% Scrap Adc12 Aluminium Alloy Using The Inclusion And Fluidity Measurement Instrument (Ifmi) With Mullite Ceramic Filters, Gusti Ruri Ruri Lestari, Sandya Ananda Riswan, Muhammad Anis, Ahmad Ashari, Paramita Vidya Ayuningtyas, Bambang Suharno Prof, Donanta Dhaneswara

Journal of Materials Exploration and Findings

The increasing demand for sustainable practices in the metal casting industry has driven the use of recycled aluminum alloys such as ADC12. However, the addition of aluminum scrap tends to increase oxide inclusions, which reduce melt fluidity and compromise casting quality. This study utilizes the Inclusion and Fluidity Measurement Instrument (IFMI), equipped with mullite ceramic filters, to assess the melt quality of ADC12 aluminum alloy containing 30% scrap. Fluidity and inclusion characteristics were evaluated at five pouring temperatures (660°C, 680°C, 700°C, 720°C, and 740°C). The results show that fluidity increased with temperature, reaching a peak of 84.6 g·s⁻¹ at 740°C, …

Equipment Criticality Analysis To Determine Asset Integrity Management System Scheme In Supporting Production Optimization Scenarios In The Aeging Field, Donny Andryanto, Donanta Dhaneswara

Journal of Materials Exploration and Findings

This research investigates the production decline and cost increase in the X&Y oil and gas fields from 2022 to 2023. Production fell by 34%, while production costs per barrel rose by 79%. To address these issues, a series of optimization processes are proposed. These aim to restructure and enhance the production facilities to reduce current production costs. The optimizations include reducing pressure at the PPP Platform in 2024. Additional steps include shutting down CPP-ORF 14” pipelines and most processes at CPP 2 Platform by 2027 to convert it into an accommodation platform. Further, the plan involves optimizing the release of …

Morphological Test Of Areca Nut Fiber Ceramic Membrane Using Scanning Electron Microscopy Energy Dispersive X-Ray Mapping Spectroscopy, Amelia Marzain, Siti Umi Kalsum, Marhadi Marhadi, Ahmad Nabil Shahab

Journal of Materials Exploration and Findings

This study investigates the potential of ceramic membranes derived from areca nut fiber as a cost-effective and environmentally sustainable material for the removal of iron (Fe) and manganese (Mn) from groundwater. Two types of membranes were fabricated: one without activation and one chemically activated using 10% sodium hydroxide (NaOH). The morphological and elemental characteristics of both membranes were analyzed using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) mapping. The concentrations of Fe and Mn before and after treatment were measured using Atomic Absorption Spectroscopy (AAS). The NaOH-activated membrane exhibited a more porous surface structure and higher oxygen content, …

Vasoactive Drug Use In Children With Community Acquired Septic Shock In Australia And New Zealand, Elliot Long, Stephen Hearps, Amanda Williams, Ben Gelbart, Warwick Butt, Thomas Rozen, Sarah Mcnab, Meredith Borland, Simon Erickson, Shefali Jani, Marino Festa, Eunicia Tan, Natalie Phillips, Sainath Raman, Amit Kochar, Subodh Ganu, Simon Craig, Anna Lithgow, Arjun Rao, Emma Whyte, Stuart Dalziel, Shane George, Fran Balamuth, Scott Weiss, Nathan Kuppermann, Franz Babl

Department of Medicine Faculty Papers

BACKGROUND: Vasoactive agents are a critical supportive therapy for children with sepsis. We describe the choice and use patterns of vasoactive agents in children with sepsis.

METHODS: Prospective observational study conducted in 11 hospitals in Australia and New Zealand through the Paediatric Research in Emergency Departments International Collaborative (PREDICT) Network from April 2021 to December 2023. Children aged 0-< 18 years with suspected sepsis were included. Children admitted to hospital and treated with parenteral antibiotics and either 1) a provisional diagnosis of sepsis, and/or 2) treatment for suspected sepsis (fluid bolus to treat poor perfusion). The frequency and sequence of use of vasoactive agents, and contributors to the choice of initial vasoactive were collected.

FINDINGS: 6232 children with suspected sepsis were included; median age of 2.1 years (IQR 0.3-7.1 years), in-hospital mortality of 60 (1.0%), in whom a subset of 306 (4.9%) met Phoenix sepsis criteria. Vasoactive agents were used in 179 (2.9%) children overall …

Genomic Ascertainment Of Chek2 -Related Cancer Predisposition, Sunyoung Kim, Jung Kim, Mark Ramos, Jeremy Haley, Diane Smelser, H. Shanker Rao, Uyenlinh L. Mirshahi, Katherine L. Nathanson, Barry I. Graubard, Hormuzd A. Katki, David Carey, Douglas R. Stewart

School of Graduate Studies Faculty Publications

Importance: There is clear evidence that deleterious germline variants in CHEK2 increase risk for breast and prostate cancers; there is limited or conflicting evidence for other cancers. Objective: To quantify the prevalence of as well as cancer risk and survival associated with CHEK2 germline pathogenic and likely pathogenic variants using genomic ascertainment. Design, Setting, and Participants: This case-control study used 2 electronic health record-linked and exome-sequenced biobanks: UK Biobank (n = 469765) and Geisinger MyCode (adults only; n = 167050). Variants were classified according to American College of Medical Genetics and Genomics and the Association for Molecular Pathology criteria. Cases …

Analysis Of Leakage In Nearshore Pipelines Using Fitness For Service Method To Ensure Mechanical Integrity Based On Api-579 Level 3, Elriandri Elriandri, Dedi Priadi

Journal of Materials Exploration and Findings

The Fitness for Service (FFS) analysis is performed as a quantitative assessment to evaluate the integrity condition of a pipeline. Essentially, FFS assessment helps determine whether equipment components can operate safely despite existing deficiencies. This evaluation is carried out using the Finite Element Method (FEM). In the case of an underwater pipeline that experiences leak due to anchor pull at the flange connection, it undergoes plastic deformation and is lifted approximately 1 meter. As a mitigation step, inspection and repairs have been carried out by the company. Subsequently, modeling is performed to reconstruct the deformation process of the pipeline. Then, …

Radiogenomic Profiling Of Prostate Tumors Prior To External Beam Radiotherapy Converges On A Transcriptomic Signature Of Tgf-Β Activity Driving Tumor Recurrence, Anson T. Ku, Uma Shankavaram, Shana Y. Trostel, Hong Zhang, Sumeyra Kartal, Houssein A. Sater, Stephanie A. Harmon, Nicole V. Carrabba, Yang Liu, Hyunnam Ryu, James A. Proudfoot, Boon Hao Hong, Bradford J. Wood, Peter A. Pinto, Peter L. Choyke, Mack Roach, Howard M. Sandler, Stephanie L. Pugh, Kenneth L. Zeitzer, Lucas C. Mendez, Nirav S. Kapadia, William A. Hall, Anand B. Desai, Radka S. Stoyanova, Alan Pollack, Elai Davicioni, Melvin L. K. Chua, Baris Turkbey, Adam G. Sowalsky, Deborah E. Citrin

Einstein Health Papers

PURPOSE: Clinical risk grouping based on PSA, tumor grade, and disease extent guides treatment intensity for localized prostate cancer. However, many patients with intermediate- or high-risk disease treated with external beam radiotherapy (EBRT) and androgen deprivation therapy (ADT) still develop biochemical recurrence (BCR). Early identification of patients at high risk for BCR could enable personalized treatment strategies.

EXPERIMENTAL DESIGN: We prospectively enrolled 29 patients with intermediate- or high-risk prostate cancer undergoing EBRT and ADT. Pretreatment biopsies (n = 60) underwent whole-transcriptome microarray and whole-exome sequencing. Patients received multiparametric MRI at baseline and 6 months after treatment, with a median follow-up …

Treating Atopic Dermatitis: Oral Jak1 Inhibitor Vs. Monoclonal Antibody, Abby Craft, Nicolle Holgate

Physician Assistant Capstones, 2020-current

Objective: To compare symptom management of atopic dermatitis between injectable monoclonal antibodies and an oral Janus kinase 1 (JAK1) inhibitor. Design: Literature review. Methods: Searches were done in PubMed and CINAHL using the following terms: abrocitinib, Cibinqo, dupilumab, Dupixent, and atopic dermatitis. Filters included: randomized controlled trials, clinical trials, and scholarly journal. Results: Three studies met all criteria including Bieber et al, Reich et al, and Huang et al. Conclusion: Oral JAK1 inhibitor abrocitinib has been shown to have similar efficacy in symptom management of moderate-to-severe atopic dermatitis compared to monoclonal antibody dupilumab and should be considered when prescribing treatment.

Electrochemical Detection Of No And Ca2+ During Cold Atmospheric Plasma Treatment Of Acute Wounds: Sensor Selectivity And Stability In The Plasma-Bio-System, Jonathan E. Thomas, Kristina Pattison, Suneel Kumar, Gagana Karkada, Duncan Trosan, Aunic Goodin, Jason Rainone, Dnyaneshwari Rananavare, Vandana Miller, Francois Berthiaume, Katharina Stapelmann

Kimmel Cancer Center Faculty Papers

Cold atmospheric plasmas (CAP) are a versatile tool in medical applications like wound healing. Its therapeutic benefits are partially attributed to the generation of biologically active reactive oxygen and nitrogen species (RONS). Characterization of RONS, however, typically only occurs after treatment. Here we report the first real-time in situ detection of CAP-generated nitric oxide (NO), and the simultaneous detection of cellular calcium ions (Ca²⁺) release using electrochemical sensors during CAP treatment of murine wounds. In vivo, NO rose rapidly within the first minute of CAP treatment but accumulated less overall than in PBS, reflecting reactions with wound-bed targets. In situ …

The Effects Of Emodepside On L1 C. Elegans, Mehrael Louza, Ismail Mustafa, Judiah Ward, Marina Khalif

Student Scholar Symposium

Soil-transmitted helminths (STHs) infect approximately 1.5 billion humans worldwide. These parasites include Ascaris lumbricoides, Trichuris americanus, and Ancylostoma duodenale which primarily infect inhabitants of tropical and subtropical areas, where access to clean resources such as water and sanitation is insufficient. Infected individuals experience malnutrition, impaired cognitive function, immune dysregulation, and many other health consequences that persist (Hotez, et al., 2004). These effects prevent individuals from thriving and trap them in poverty. The World Health Organization (WHO) has authorized the use of four drugs for mass distribution to combat the infections. However, despite the existence of effective drugs, concerns over drug-resistance …