Morning Poster Session

Where & When?

10:00 AM - 12:00 noon

ASDRP R&D Campus Center Lot
46307 Warm Springs Blvd.
Fremont, CA 94539

Instructions for Guests

1. COVID-19 vaccination is required for all guests over the age of 5 years old. Please bring proof of vaccination and RSVP online.

2. Please bring a face mask! Hand sanitizer and spare masks will be available on site.

3. See Parking Map, below.

Instructions for Presenters

1. Contact Mr. Bunnell for poster printing on site on May 15 and May 22, 2022.

2. Please show up at 9:45 AM or earlier on campus.

3. Dress code is business casual.

Posters Presented & GROUP

PRESENTERS

ABSTRACT

1. Reactivity informed design, synthesis, and targeted delivery of andrographolide and analogs, Nf-kB modulators for cancer treatment and degenerative diseases (CHEM)
   Samyukta Athreya, Srishti Venkatesan, Harrison Xu, Harsha Rajkumar, Anushree Marimuthu, Keira Chatwin, Vivian Long, Madi Lloyd, Aashi Shah, Andrew Chen, Anjali Prabhu, Lawrence Long, Yilin Fang, Edward Njoo
   Andrographolide, a labdane diterpenoid extracted from Andrographis paniculata, has been investigated as a therapeutic lead for many diseases. Namely, it has been found to exert its biological activity through inhibition of Nf-kB, a transcription factor at the crossroads of a myriad of cell signaling pathways, including those pertaining to tumor survival. Synthesis of derivatives of the natural product has the potential to create analogs and prodrugs of the compound that could improve tolerability, selectivity, and potency. Here we present the synthesis of C-ring modified andrographolide analogs with altered Michael acceptor properties, as well as a series of acid hydrolyzable acetal and ketal analogs, which we assay for controlled delivery and release. We use a quantitative reverse transcriptase PCR (qRT-PCR) assay as a proxy for Nf-kB regulated gene expression.
   

2. Stability Study of Torula Yeast RNA, with Applications in Drug Delivery (CHEM)
   Anika Kulkarni, Paree Merchant, Harry Wang, Nathan Chiu, Raymond Zhang, Akira Yamamoto
   In being an unstable, typically single-stranded molecule, RNA plays a variety of roles within the genome. Through its unique properties of binding, condensation, gene interference, and genome alteration, the nucleic acid has been considered to be a molecule with great clinical potential. RNA stability and condensation, as the focus of this project, were investigated with the goal of improving clinical drug delivery via cytoplasmic transport, specifically in how the nucleic acid’s capabilities for compaction can be leveraged as a delivery vehicle. RNase, or ribonuclease, a group of enzymes responsible for RNA degradation, is present in an abundance of environments and was the primary method of RNA degradation in the form of fetal bovine serum. Primary degradation assays were tested for the potential of calcium phosphate as a viable protective nanoparticle in which the susceptible RNA sample was enveloped. RNA was bound in an FBS-rich condition, simulating in vivo environments with intense ribonuclease presence. To streamline the analysis of CaP-bound RNA following degradation, various pH, time, extraction salt, and buffer conditions were experimented with to improve the efficiency of RNA elution off the CaP nanoparticle. In further experimentation, the calcium phosphate nanoparticle will be utilized to facilitate RNA compaction in order to encapsulate the nucleic acid within delivery vehicles, such as liposomes or lipid nanoparticles.
   

3. Investigating the efficiency of the saltwater mussel Mytilus californianus’s ability to filter microplastics from aquatic ecosystems (BIOL)
   Olivia Ho, Mallika Saoji, Connie Yang, Advay Chatterji, Ankita Gadepalli, William Sun, Ajeetesh Sidhu, Bhavana Priya Boggavarapu, Andrew Benson
   The increase of microplastic pollution, otherwise known as plastics smaller than five millimeters, actively contributes to the threats faced by life in marine ecosystems. Microplastic pollution has the ability to adversely affect aquatic and human life by manipulating organisms’ functions (2). However, novel research has demonstrated that as filter feeders who have been shown to intake and retain microplastics, mussels may have the ability to minimize such pollution. Therefore, we explored the potential that mussels may have in filtering and retaining microplastics and worked towards developing a method to extract, purify, clean, and quantify microplastics from mussels, as there currently is not a standardized method to do so. Given the rising trends of microplastic pollution, different-sized mussels collected from a local tidepool were exposed to varying levels of microplastics over a period of time. After exposure, the retained microplastics from the mussels were isolated and quantified using a mussel digestion process and vacuum filtration. In the future, we plan to analyze this digestion using a dissecting microscope, ultraviolet light, centrifuge technology, and FTIR spectroscopy. All microplastics used in the experiment were created using a power sander, including 1 PETE, 2 HDPE, 3 PVC, 4 LDPE, and 5 PP plastics. Elementary data suggests that mussels may be able to efficiently filter microplastics, illuminating the role mussels play in microplastic pollution. While we are still pursuing results, these findings may prove to be insightful for addressing an environmental issue presently affecting aquatic ecosystems and we hope to be able to implement our findings in a real water system.
   

4. A Novel Machine Learning-based 3D Pharmacophore Fingerprinting Approach to the Screening of Potential HIV-1 RT Inhibitors (CSEN)
   Nathaniel Thomas, Anya Iyer, Avirral Agarwal, Colin Chu, Vineet Rao, Aliana Tang, Edward Njoo, Robert Downing
   With advancements in the field of machine learning powered by on-demand computing and information processing on a large scale, computationally driven proteomics and high throughput virtual screening have become increasingly popular in reducing traditional in vitro screening costs and the timeframe for hit-to-lead identification of drug candidates. The efficiency of high throughput fingerprinting using cheminformatics based approaches coupled with machine learning holds immense potential in screening possible inhibitors. To identify these potential targets, we propose a reductionist approach in identifying key pharmacophoric elements of chemical entities, dramatically reducing the relative compute cost for large scale chemical screening efforts. By minimizing the 3D structure of our molecules to their key points we are able to screen a larger sample of chemical space while effectively filtering for ideal small molecule drugs. Platforms such as PaDEL and Mordred were used in identifying notable descriptors of a class of FDA-approved NNRTIs, and this data was later implemented in a machine learning based model when screening for structural similarity between NNRTIs and other datasets of organic compounds. Herein, we present a novel pharmacophore fingerprinting method based on 3D reductions of molecule libraries, enabling a relatively more efficient and rapid screening of effective inhibitors of the HIV-1 RT enzyme.
   

5. In silico screen and 19F NMR spectroscopy enabled chemical synthesis of a library of carmofur analogs as potential inhibitors of the SARS-CoV-2 main protease (Mpro) (CHEM)
   Xina Wang, Julia Vu Charissa Luk, Neha Mandava, Udbhav Avadhani, Kavya Pandrangi, Aishi Rao, Jane Wu, Emma Le, Anushka Peer, Edward Njoo
   Carmofur, a 5-fluorouracil derivative, was initially developed as an antineoplastic agent that inhibits acid ceramidase and tested for its efficacy on colorectal cancer cell lines. More recently, through drug repurposing efforts, it has been identified as a covalent inhibitor of the main protease of SARS-CoV-2. This SARS-CoV-2 main protease (Mpro) plays an essential role in the processing of the polyproteins that are translated from the viral RNA, therefore making it an attractive drug target for the treatment of COVID-19. Here, we present the in silico evaluation and synthesis of carmofur and a library of related 5-fluorouracil analogs with aliphatic, amino acid, and aromatic fragments against mutations in Mpro. Homology modeling was used to determine the interactions between carmofur analogs and Mpro as a result of the mutations and their effects on the binding affinity of our analogs, revealing potential hit compounds to further develop for combating COVID-19. Furthermore, using the 5-fluorinated position as a handle, benchtop 19F nuclear magnetic resonance spectroscopy (NMR) has enabled the real-time quantitative monitoring and scalable synthesis of novel 5-fluorouracil analogs as potentially more effective inhibitors.
   

6. Cognotrain (BIOL)
   Krishnaveni Parvataneni, Jonathan Ma, Deniz Yilmaz, Shashank Sastry, Aaditya Karnataki, Sahar Jahanikia
   With over 50 million patients worldwide, Alzheimer’s is a pervasive neurodegenerative disease that lacks Computer-based Cognitive Training/Rehabilitation (CBCT/CBCR) testing at the consumer level. So far, applications of CBCT/CBCR have had promising results on studies of Alzheimer’s patients, resulting in mental state and quality of life improvements, a decrease in patients' Clinical Dementia Rating (CDR), and improved short term memory. The purpose of CognoTrain is to show the potential of a personalized implementation of CBCT/CBCR and provide rehabilitation to Alzheimer’s patients. CognoTrain addresses common manifestations of Alzheimer’s such as topographical disorientation, loss of self, and declined recognition ability through the various features of the application. Currently, we are working on collecting data from Alzheimer’s patients and tracking their progression by monitoring their activity on the app. To ensure scientific rigor and replicability, we will document sample size, details about each patient, and the patient’s progression over time.
   

7. Can phosphorous- deprived buttercrunch lettuce (Lactuca sativa var. capitata) grow better with added arbuscular mycorrhizae to its roots? (BIOL)
   Shreyan Phadke, Prabhjeet Kaur
   The associations between roots and fungi are called mycorrhizae. There is a mutualistic relationship between them fosters better water and nutrient absorption by plants, and can enable plants to share resources. The main nutrients required by plants for optimal growth are nitrogen, phosphorus and potassium (NPK). We hypothesized that when there is deficiency of any of these nutrients, arbuscular mycorrhizae may compensate by sharing the limited amount of the nutrient between various plants. We are studying the growth pattern of Lactuca Sativa (Buttercrunch Lettuce) in low and optimal phosphorus soil environments. We are testing the effect of low, natural and elevated levels of mycorrhizae in each of these soil environments. The growth of plants will be monitored based on leaf size, plant height, root depth and more. If the plants growing in phosphorus deficient soil compare or grow better than plants in optimal phosphorus soil, this will support our claim that mycorrhizae can replace soil nutrients.
   

8. High throughput screening and chemical synthesis of novel non-nucleoside reverse transcriptase inhibitors (NNRTI’s) enable the discovery of novel antivirals and therapeutics for HIV/AIDS (CHEM)
   Shelley Li, Kavya Pandrangi, Anushree Marimuthu, Anjali Prabhu, Madi Lloyd, Nandika Nambiar, Alice Finkelstein, Edward Njoo
   Efavirenz is a synthetic FDA-approved non-nucleoside reverse transcriptase inhibitor (NNRTI) that has been demonstrated to bind to the allosteric binding pocket of reverse transcriptase (RT) of the human immunodeficiency virus (HIV), effectively inhibiting viral replication. However, the emergence of new drug-resistant variants has reduced the effectiveness of NNRTIs, necessitating the synthesis of new compounds with better biological profiles. Analogs of efavirenz hold potential as next-generation NNRTIs and may overcome resistance to the rapidly mutating HIV RT. In this study, we utilize high-throughput virtual screening (HTVS) to evaluate 112 efavirenz analogs in silico with cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, phenyl, tert butyl, and methyl groups as well as chlorine, fluorine, methyl, and trifluoromethyl rotated around the 3, 4, 5, 6 positions on the benzene ring in the efavirenz scaffold. Analogs were evaluated against the wild-type (WT) RT as well as efavirenz-resistant mutations in the WT HIV protein to determine several hit compounds as potential next-generation NNRTIs. In addition, we are currently investigating the synthesis of efavirenz itself using catalytic asymmetric alkynylation of trifluoromethyl ketones as an alternative to the current not atom efficient Merck synthesis.
   

9. Stability Study with HPLC on Lovastatin and Simvastatin (CHEM)
   Kimberly Khow, Abi Dawit, Riya Patel, Angie Tan, Raymond Chen
   About 38% of American adults have high cholesterol so HMG-CoA reductase inhibitors like Lovastatin and Simvastatin are commonly-used medications for lowering cholesterol levels and preventing serious heart diseases. To determine the suitable storage condition and the shelf life to ensure the safety of these drugs, our project aims to run a stability study using RP-HPLC to observe the amount of degradation at different temperatures during various storage times, as we predict that there will be higher amounts of drug impurities during higher temperatures and longer storage times. We found the HPLC method best suited for Lovastatin and Simvastatin’s stability study. Our presentation will cover how storage time and temperature affects the degradation level of our compounds.
   

10. Benchtop NMR spectroscopy enables mechanistic insight of the Biginelli cyclocondensation in the synthesis of novel trifluorinated 2,4-dihydropyrimidine and tetrahydropyrimidine compounds as antiproliferative agents (CHEM)
    Pratyush Singh, Rosie Chen, Sarah Su, Xina Wang, Srishti Venkatesan, Adrienne Ferguson, Anushree Marimuthu, Edward Njoo
    The Biginelli cyclocondensation is a multicomponent reaction used to synthesize dihydropyrimidines by utilizing ethyl acetoacetate, thiourea, and an aryl aldehyde under acidic conditions. In this study, 19F NMR spectroscopy was utilized to monitor the synthesis of novel trifluorinated analogs of monastrol, a small molecule kinesin Eg5 inhibitor, and to probe the mechanistic pathways of the Biginelli cyclocondensation. Through the use of 19F NMR time course kinetic experiments with trifluoro toluene as an internal standard, we identified an unknown reactive intermediate, suggesting that the trifluorinated analogues of monastrol proceeded through a different operative mechanism. By analyzing the kinetics’ experimental data, we were also able to derive Hammett linear free energy relationships (LFER) to determine stereoelectronic effects of para- and meta- substituted aryl aldehydes to corresponding reaction rates and mechanistic routes. Here, we present discoveries regarding the application of benchtop 1H and 19F NMR spectroscopy to characterize reactive intermediates and mechanistically probe reaction pathways.
    

11. The Analysis of Rocky Exoplanets to Determine Habitability (CSEN)
    Prachi Soni, Stephen Park, Sanjay Ravishankar, Vineet Rao, Alexander Lau, Christopher Lau, Gurseerat Kakar, Saransh Jain, Vedant Gupta, Robert Downing
    There are thousands of exoplanets in the universe, made of many different sizes and characteristics. We already know one planet that supports life (planet Earth), so there must be another one somewhere else that also possesses the characteristics needed to support basic life. One crucial factor towards determining a planet's habitability is water: Since water is the basis of life, will we be able to find an exoplanet that supports liquid or molecular water? We tested data from the NASA Exoplanet Archive for characteristics including planetary radius, orbital period, semimajor axis, luminosity, stellar radius, and planetary mass to find planets that might sustain water. In the spring semester, we updated our deduplication file to organize the planetary observations from the raw dataset. Then, using the characteristics mentioned before, we examined the dataset using mathematical techniques and Keplerian Mechanics to infer which planets may be habitable. In addition, we delved into research involving the albedo and circumstellar habitable zone (CHZ) methods to validate our results in Keplerian Mechanics. With these methods, we added multiple new exoplanets to our list of planets that could support life.
    

12. Testing bioenhancers efficiency on p-gp inhibition to increase drug bioavailability (CHEM)
    Smriti Kallahalla, Caleb Joo, Durga Dham, Sophia Wang, Sravya Mikkilineni, Gautham Ramshankar, Gayathri Renganathan
    Bioenhancers are substances that increase drugs’ effectiveness by increasing their bioefficacy and bioavailability. Bioavailability is the rate at which a drug enters the cell and becomes available at the intended site of action. Therefore, bioenhancers can make drugs react with our bodies more efficiently when taken together. Our team plans on testing a wide variety of bioenhancers in our comparative study, namely Verapamil, Naringin, Curcumin, Genistein, and Quercetin, to investigate their ability to inhibit the p-glycoprotein. P-glycoprotein functions as an efflux protein by pumping drug substrates back into the lumen, decreasing the body’s absorption of the drug. By simultaneously administering p-gp inhibitors, also known as bioenhancers, with the drug, the bioavailability of the drug itself can thus be increased; more of the drug would be absorbed by the body. By boosting the bioavailability of drugs using bioenhancers, consumers can take a lower dose of the drug while still meeting the necessary concentration threshold. This has a variety of effects, such as higher affordability, as well as the possibility of reduced side effects to the drug. This would have great impacts on the medical field. We are conducting a comparative study between several bioenhancers to test their efficacy in helping enhance drug bioavailability. We are testing on HCT-116 cell lines as p-gp is overexpressed on the surface of cancer cells so it is easier for us to identify when it has been inhibited. Currently, we are working on ATPase assays using Verapamil as a standard. We are planning to do an MTT assay to check the metabolic activity in our HCT-116 cells.
    

13. RoboChem: A Computer-Guided, Automated Synthetic Chemistry Platform (CSEN)
    Manav Bhargava, Anya Iyer, Dhruva Paul, Mallika Agarwal, Nathaniel Thomas, Tanay Ubale, Sunny Moon, Pranav Singh, Vibhav Darsha, Robert Downing
    Manual synthesis is the most widespread approach to evaluating drug candidates, but it has proven to be costly and inefficient. Using artificial intelligence and mechanical engineering, we propose an efficient approach for the automated synthesis of novel chemical compounds. This approach utilizes a “monkey-bar” frame to support chemical reservoirs flowing to reaction chambers through tubing and pumps. A robot arm will affect the addition of liquids and disposal of the reactants within the reaction chamber when added in excess. The automated synthesis platform, called “RoboChem”, will add the reactants in small, controlled amounts and then use either a spectrometer or high performance liquid chromatograph to verify the completion of the reaction. The AI-driven platform will connect to a drug discovery algorithm to receive candidates to synthesize and identify novel chemical compounds for further testing.
    

14. 2-nitrobenzyl carbonates as a universal, bioorthogonal, photoreleasable prodrug and antibody-drug conjugate strategy (CHEM)
    Harsha Rajkumar, Kuvam Bhatnagar, Pratyush Singh, Natasha Gupta, Rosie Chen, Gavin Li, Zachary Bashkin, Edward Njoo
    Although several other activation methods of prodrugs have been designed and evaluated, photorelease shows immense potential due to its increased bioorthogonality and ease of control. Here, we present an in-depth study to improve prodrug photoreleasability and its biological implications. We began by examining the effect of aromatically substituted electron withdrawing and electron donating moieties on the photorelease kinetics of an ortho-nitrobenzyl carbonate group. In addition, we explored the impact of a benzylic deuterium substitution to determine if kinetic isotope effect (KIE) accomunts for accelerated photorelease rates. However, a drawback of the o-nitrobenzyl group stems from the necessity of UV activation, which damages healthy tissue cells. To address this, we synthesized a biphenyl system in which we added aromatic conjugation to the nitrobenzene via a palladium-catalyzed cross-coupling in order to reduce required photon energy levels, thereby redshifting the photon trigger. The mechanistic insights derived from the initial photorelease assays were then applied towards the prodrugging of podophyllotoxin, a potent chemotherapeutic small molecule drug, in order to increase its pharmaceutical potential. Ultimately, the compatibility of such photoreleasable groups with targeted drug delivery systems was revealed through the development of a novel photoreleasable antibody-drug conjugate.
    

15. In vitro characterization of human DNA Methyltransferase inhibitors on HCT-116 Colorectal cancer cells (BIOL)
    Sanjana Vadapalli, Hena Patel, Alfiya Raja, Sreshta Yelisetti, Arya Kulkarni, Samantha Wu, Ojasvi Mudda, Aditya Seetharaman, Clinton Cunha
    Colorectal cancer (CRC), the development of cancer in the colon or rectum, is a common cancer which leads to death (American Cancer Society, 2019). Epigenetic therapy is a novel cancer treatment method displaying promising clinical results (Nepali, Liou, 2021). Epigenetic modifiers activate genes regulating the cell cycle and apoptosis by demethylating certain regions of DNA to inhibit the expression of cancer (Nepali, Liou, 2021). This project focuses on the use of new analogs of the drug N-Phthaloyl L Tryptophan (RG108), a non-nucleoside DNA Methyltransferase 1 (DNMT1) inhibitor able to reverse the effects of DNA methylation while reactivating tumor suppressor genes (Hagemann et al., 2011). Certain tumor suppressor genes were chosen based on their antiproliferative traits. These genes work to slow down cell cycle progression and induce apoptosis. Our interest in RG108 and its analogs was initiated by studies on effective inhibition of proliferation by nucleoside and non-nucleoside inhibitors (Brueckner et al., 2005). RG108 is not an FDA-approved treatment for colorectal cancer, so this work hopes to derive any meaningful insights by using RG108 as a control along with similar analogs to RG108 to potentially find novel or better inhibitors for DNMT1 (Medina-Franco et. al, 2015). The cell line used was the epithelial human HCT116 cell line. Current experimentation focuses on validating RG108’s role on HCT116 cells to ensure accurate technique. Cell proliferation assays and gene expression analysis will be used to test the efficacy of RG108 (Riss et al, 2016). In the future, analysis of the reactivation of tumor-suppressor genes when treated with RG108 will be implemented with qPCR (Assis et. al, 2018). Immunoblotting will serve a similar purpose, determining levels of tumor suppressor proteins involved in cell cycle checkpoint regulation or levels of proteins involved in the intrinsic and extrinsic apoptotic pathways after RG108 treatment (Jan et. al, 2019). Cytotoxicity of RG108 will be analyzed with the study of migration and colony formation with the clonogenic and cell migration assay (Ou et. al, 2018). Further analysis of cell viability will be done using flow cytometry, examining cell cycle progression in the context of G2/M checkpoint status (Ou et. al, 2018). Fluorescent microscopy will be used to visualize caspase activation (Zheng et. al, 2021) After conducting the validation experiments mentioned above, future work aims to isolate connections between treatment with novel RG108 analogs and reactivation of tumor suppressor genes and determining whether the analogs capability for immunomodulation would have increased efficacy when compared with RG108 and other FDA-approved drugs.
    

16. Green synthesis of graphene (CHEM)
    Sharada Kittur, Jasper Zhang, Ishaan Agrawal, Shrey Raj, Abhiram Hanumanchi, Neelima Sangeneni
    Graphene, the two dimensional counterpart of graphite, is a novel hexagonal lattice structured, single layer sheet of carbon atoms. The material exhibits unique and suitable properties for applications in electrochemistry—notably, high electrical conductivity, lightweight structure, and high tensile strength, making it extremely well suited for the creation of electrodes in supercapacitors. The main challenge of producing graphene lies in discovering a process that is green, scalable, and cost-effective. Other processes such as mechanical or electrochemical exfoliation, oxidation/reduction, chemical synthesis, and chemical vapor deposition fall short in at least one of these categories. Instead, our research turns to a more promising method—liquid-phase exfoliation. Refinement of the LPE method included comparisons of bath and probe sonication in their effects on yield. Additionally, we explored the supplementation of magnetic stirring and centrifuging to the process, and the effects of these additions on the end yield. The end yield of graphene was free of trapped oxygen atoms, as confirmed by FTIR characterization. Moreover, our experiment did not involve any toxic solvents that pose environmental risks during disposal. Previous research indicates that solvents’ properties determine the quality and amount of graphene produced. Solvents with similar surface tensions to graphene are better able to permeate in between the graphite layers during the sonication process. Ethanol in particular is suitable due to its low boiling point, low toxicity, and mix of polar and nonpolar properties. Ethanol’s low surface tension in comparison to graphene was remedied by adding water so that the mixture's surface tension was similar to graphene’s. We calculated the ratio of water and ethanol to be used based on their surface tensions, which are 73 and 21 mJm-1 respectively. Adding materials like curcumin to the solvent also decreases the amount of defects in graphene, and gives us a better yield. UV-Vis and FTIR spectroscopy were used to characterize impurities in the exfoliated graphene. We prepared inks from the exfoliated graphite and performed cyclic voltammetry and galvanostatic charge discharge to test the energy capabilities of graphene electrodes. To further our research, we plan on conducting characterization with Raman spectroscopy and SEM, and introducing new organic green solvents, including Rhodiasolv Polarclean and Cyrene. A green solvent and synthesis process remains desirable in the field of electrochemistry, providing sustainable storage for electricity without a massive loss in yield.
    

17. Modular mimics of neuroactive alkaloids – design, synthesis, and cholinesterase inhibitory activity of novel rivastigmine analogs (CHEM)
    Erika Yu, Shloka Raghavan, Harrison Xu, Elena Brierley-Green, Anvita Das, Tvisha Nepani, Niharika Nambiar , Anushka Peer, Sanhita Nittala, Adrienne Ferguson , Udbhav Avadhani, Alice Finkelstein, Edward Njoo
    For centuries, neuroactive alkaloids isolated from naturally occurring phytochemical sources have been crucial in the identification and optimization of small molecules with potency in treating neurological disorders. While some of these compounds have gone on to clinical use themselves, others have inspired the development of synthetic analogs, which might possess greater potency or better pharmacological features than the natural product itself. One such naturally occurring alkaloid, physostigmine, which is found in the calabar bean plant Physostigma venenosum, has been demonstrated to be a potent cholinesterase inhibitor. However, some of physostigmine's characteristics limit its therapeutic potential, prompting the development of its synthetic counterpart, rivastigmine. The research in our group focused on the synthetic optimization of rivastigmine and its analogs, utilizing computer modeling and biological assays to determine the most favorable analog for inhibition of acetylcholinesterase (AChE). Through such studies, it was determined that rivastigmine and its analogs were less effective at inhibiting AChE than physostigmine. This discovery prompted us to pursue two routes: the synthesis of S-enantiopure versions of our analogs with the goal of making more potent analogs and the study of biological activity for all analogs on both cholinesterase enzymes to determine enzyme selectivity.
    

18. Impacts of Ocean Acidification on physiology of Balanus aquila and Tetraclita rubescens
    Anish Jupudy, Anushree Chanda, Brady Lucas, Meghana, Muzainah Uddin, Pamela Yung, Andrew Benson
    Oceans are a crucial part of the Earth’s anatomy; they give life to marine organisms, allows for transportation for ships, acts as a storage area for inorganic material, and prevents extreme heating of the Earth by absorbing excess CO2 from the Earth’s atmosphere. Specifically, our experiment is geared towards understanding the effects of how an increase in ocean acidification affects its ability to maintain a sustainable environment for marine creatures. In our experiment, we placed two types of barnacles(balanus aquila-acorn and tetraclita rubescens-volcano) into saltwater tanks of different pHs. The control tank was at 8.1 pH, and the other two were at levels of 7.8 pH and 7.5 pH. Barnacles were fed zooplankton per data collection, and their feeding activity was measured by counting the amount of cirri extensions at 10 minute intervals leading up to 30 minutes. We also tested predator avoidance response for barnacles by using a sponge to replicate its predator's effects, and our previous finding that a light brush to the barnacle’s surface by a sponge caused it to retract still holds true. Previous data presented itself as statistically significant, but current findings show possible changes, and further study is needed to rectify a proper conclusion
    

19. Development of Raspberry-Pi based Remote-Deployable Environmental Sensors (CSEN)
    Dominic Chang, Hayden Fu, Landon Stobaugh, Aalaap Hegde, Robert Downing
    For decades, many farmlands have had their productivity hampered by environmental pollutants from surrounding industrial infrastructure. However, the development of several physical sensors has allowed farmers to monitor the soil's health and prevent such loss. Here, we focus on developing a framework for collecting and analyzing soil data. Humidity, temperature, and nitrogen/phosphorus/potassium (NPK) sensors will be integrated onto a small form factor compute platform (e.g.: Arduino or Raspberry Pi). A client-server architecture will be built as the repository for a predictive, mathematical model to enable future data analysis. As environmental chemical changes alter the productivity of the soil, data collected by the proposed device will allow fluctuations [which impact soil health] to be identified and used as predictors for remediatiative treatment.
    

20. FMRIusic (BIOL)
    Julia Wind, Aryan Kondapalli, Ayaan Khan, Brandon Brewer, Elizabeth Gayhart, Mounami Kayitha, Sachi Patel Sasha Bahdanava, Sruthi Sudarsan, Sahar Jahanikia
    FMRI is a non-invasive neuroimaging technique that uses BOLD signals to construct high-resolution images of brain activity in response to stimuli. By using various neuroimaging tools and techniques, we will preprocess and analyze a fMRI dataset obtained from the University of Magdeburg Psychoinformatics Lab which contains scans of participants guess the genre of music from a movie both with and without audio. However, this term we shifted our focus to creating a blog listing the many different neuroimaging tools that can be used to easily analyze certain MRI data like FSL and fMRIprep. With these tools, we aim to identify the networks of the brain associated with guessing a music genre correctly without audio. However, before we can use the tools to preprocess the data, we first need to convert the raw data into the Brain Imaging Data Structure (BIDS), a standard way of organizing neuroimaging data. In our research we aim to publish a blog on the most accessible, yet powerful neuroimaging tools as well as using those tools to identify networks of the brain associated with guessing a music genre without audio and understand and explain the role of the auditory network in genre association.
    

21. Chemical Synthesis and Ex-Vivo Evaluation of Berberine Analogs as DNA-Binding Singlet Oxygen Photosensitizers and Anti-Bacterial Agents (CHEM)
    Sarah Su, Emma Le, Meher Jain, Pratyush Singh, Aashi Shah, Anushka Peer, Shelley Li, Edward Njoo
    Berberine, a natural product isoquinoline alkaloid, has been shown to exert its biological activity through in situ production of singlet oxygen, a highly reactive oxygen species, upon irradiation. Its putative mechanism of action as a DNA-binding singlet oxygen photosensitizer stems from its electronic structure, wherein upon irradiation, it sensitizes triplet oxygen to singlet oxygen to incur irreversible DNA damage, resulting in apoptosis. Through semisynthetic modifications of the berberine scaffold, we were able to modulate berberine’s electronic structure towards bolstering its photosensitizing properties. Regioselective modifications, such as grignard additions to C8 and demethylation and cross couplings to C9, enabled the generation of a library of berberine analogues. Here, we present two ex-vivo experiments towards evaluating the DNA-binding singlet oxygen photosensitizing abilities of Berberine and related analogues. Through the use of a hetero Diels-Alder reaction between singlet oxygen and a terpene, we were able to quantitatively monitor singlet oxygen production with benchtop NMR. Moreover, we used HPLC in conjunction with in silico methods towards the construction of a structure activity relationship between berberine and various DNA structures.
    

22. Hybrid Quantum-Classical Generative Adversarial Network for Generating Synthetic, Chemically Stable Molecules (CSEN)
    Diptanshu Sikdar,, Max Cui, Adelina Chau, Arjun Bhamra, Sathvik Prasanna, Kanthi Makineedi, Larry McMahan
    Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060. One solution involves deep generative models, which learn from nonlinear data by modeling the probability distribution of chemical structures. These generative models can extract salient features which characterize the molecules. However, they often suffer from increased time complexity. Aiming for faster runtime and greater robustness when dealing with high-dimensional data, we implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to generate chemically stable molecules. There are two parts to the QGAN: a generator that creates molecules based on the probability distributions of likely combinations and a discriminator that classifies real molecules from generated molecules. We hypothesized that a quantum generator would be more impactful because we could use superposition to analyze more possibilities than a classical generator. Also, we implemented a classical discriminator because it performs a simple classification task that does not need quantum computing speedups. Although this hybrid approach forces us to work with floating-point numbers in the quantum circuit, we avoided this issue by implementing a Quantum Analog-to-Digital Converter. The Pytorch-Pennylane implementation of the QGAN generated seven chemically stable molecules out of 300, a 2.3% success rate. Although it is still a work in progress, the QGAN has shown us the path towards more efficient drug development.
    

23. HPLC-based Stability Studies on Abermectin and Avermectin Nematocidal Natural Products (CHEM)
    Emily Shu, Riya Kulkarni, Adrian Gore, Kexin Li, Kaitlyn Huynh, Daniel Kaganovich, Raymond Chen
    Abamectin is a common insecticide and member of the avermectin drug group used in anthelmintic medicine to treat Helminthiasis (worm infections). In our research from this season, we’ve begun our stability study on abamectin to determine the best storage condition, between room temperature, 5℃ (fridge), and -20℃. In our research so far, we’ve regularly analyzed our samples for the past 2 months using High-Performance Liquid Chromatography (HPLC). The equipment and parameters used during this project included a Waters XSelect Columns CSH C18 Column (4.6x150mm, 3.5um), UV detection set at 238 nm, injection volume set to 15ul, and the flow rate was set to of (1 mL/min), with each HPLC trial running for 16 minutes. To prepare our samples, we used a solvent of 1:1 ratio of acetonitrile : HPLC-grade water kept at room temperature, and all abamectin samples were prepared at a ratio of mL : mg of solvent : sample.
    

24. Analysis of Microsilicon and Nanosilicon for Lithium-Ion Battery Anodes (CHEM)
    Aneri Sheth, Aaron Hsi, Sahand Adibnia, Masroor Uddin, Astra Tulac, Neelima Sangeneni
    The abundance and low cost of silicon presents the ideal candidate of silicon anodes as an energy-dense, sustainable alternative to graphite anodes in lithium-ion batteries with a reported theoretical capacity of 4200 mAh/g. However, challenges such as significant volume expansion, rapid pulverization, relatively poor conductivity, and unstable sei layers formed with the use of silicon anodes hinders the practical applications. Micro silicon and nanosilicon demonstrate promise tackling these challenges while utilizing the unique characteristic of silicon due to a larger surface area allowing for greater charge intercalation with the anode material and electrolyte without causing significant volume expansion. We have begun characterizing micro- and nano-silicon with particle size ranges of 50 μm, 20-30 nm, and 150-200 nm through Fourier-Transform Infrared Spectroscopy (FTIR) to evaluate the presence of impurities in our samples and X-Ray Diffraction Spectroscopy (XRD) to determine the crystal structure of our samples. For electrochemical characterization, we utilized cyclic voltammetry (CV) to computationally identify the theoretical capacitance of different micro and nano-silicon-based inks (combinations of carbon black and silicon) deposited on nickel foam electrode material. Likewise we utilized Galvanostatic Charge Discharge (GCD) to identify performance characteristics of the material in battery type conditions identifying energy density, power density, and Coulombic efficiency. Our FTIR analysis indicated nano-silicon of particle sizes ranging from 20-30 nm was more prone to oxygen-related impurity formation due to a strong peak at 1071 cm-1 that corresponds to the asymmetric vibration of Si-O bonds. Through our computational analysis, we found theoretical specific capacitance values of 2.2 F g-1.of nanosilicon 01 (150-200 nm), 2.3 F g-1 of nanosilicon 02 (20-30 nm) , and 1.3 F g-1 of Microsilicon. Through testing optimal parameters of various silicon particle sizes we seek to identify the most efficient size of nano-silicon and evaluate its efficiency in an actual model lithium-ion battery utilizing COMSOL software models.
    

25. EGCG and Ascorbic Acid Nanoparticles against HCT 116 cell lines (CHEM)
    Meera Iyer, Aarya Morgaonkar, Simran Tawari, Rose Liu, Dalia Jazrawi, Amra Abid, Gayathri Renganathan
    This project focuses on conjugating EGCG and ascorbic acid to make nanoparticles that combat colon cancer. EGCG, or Epigallocatechin, is a major polyphenol in green tea, and is a catechin. It has anti-inflammatory and antioxidant properties. It has been previously found that EGCG prohibits tumor growth. However, EGCG has low bioavailability, meaning that it isn’t readily usable by the body. To increase the bioavailability, ascorbic acid, or Vitamin C, is being used. Ascorbic acid (AA), or Vitamin C, significantly decreases the growth of cancer cells and can help strengthen the immune system. We are also using PLGA (poly lactic-co-glycolic acid) with 5.25% PEG content as a polymer that encapsulates the two drugs (EGCG and AA) in our nanoparticles. PLGA has been used for drug delivery in the past, so incorporating PLGA in the EGCG and AA conjugated nanoparticles will help with the drug release. We are creating the nanoparticles using the nanoprecipitation method. We aim to calculate the entrapment efficiency and release rate of the nanoparticles, and then test their effectiveness on HCT116 cells.
    

26. Development of zinc oxide nanoparticles for central nervous system drug delivery applications (CHEM)
    Morgan Chan, Reeva Randeri, Abhiraj Bhashkar, Dhruv Sastry, Kalpita Balu, Gayathri Renganathan
    Green synthesis, using plant extracts, is rapidly emerging as a more commonly used method and a safe alternative to the chemical synthesis of metal nanoparticles. Through green synthesizing methods, we anticipate discovering how nanoparticles can pass the blood-brain barrier and enter the central nervous system to provide therapeutics, inhibitors, or other types of drug delivery to the central nervous system. In our study, we synthesized two types of metal nanoparticles, iron oxide and zinc oxide using an eco-friendly method. Iron oxide nanoparticles were synthesized using Coriandrum sativum (cilantro) leaf extract and ferrous sulfate heptahydrate salt. Zinc oxide nanoparticles were synthesized using L. Nobilis (bay leaf) extract and zinc nitrate salt. The synthesized metal nanoparticles were then characterized using Fourier Transform Infrared Spectroscopy (FT-IR) and Ultraviolet-Visible Spectroscopy (UV-Vis). An FT- IR was done to measure the absorbance bands while the UV-Vis was done to measure the levels of absorbance. Our further plans include testing drug delivery potential by introducing ZnO and FeO into the CNS through the BBB to measure its effectiveness and synthesizing the nanoparticles by using elements of an anti-inflammatory compound to observe its significance. Ultimately, the goal of this project is to discover a method to treat neurodegenerative diseases.
    

27. Targeting Ephrin B2 and B3 Glycoproteins to Initiate Immune Response Against the Nipah Virus (NiV) (BIOL)
    Amiya Sheshadri, Sanika Sharma, Ajeeth Iyer, Caleb Yu, Dara Lin, Azhahini Krishnamoorthy, Michael Amadi
    Given the context of the SARS-CoV-2 pandemic, understanding other major viruses, especially the Nipah Virus (NiV), is imperative to producing crucial prophylactic vaccines and other therapeutic treatments. While past research efforts on NiV have included monoclonal antibodies and the potential use of Remdesivir, there are currently no licensed treatments. This is a major concern since NiV poses a similar threat that Covid-19 did with regard to its rapid community transmission. Principally, our research aims to shed greater awareness and a potential solution for NiV through the synthesis of a recombinant vaccine; however, different varieties such as an oral form are still under consideration. Using in vitro and in silico models, PCR, bacterial transformation, directed evolution, NGS sequencing, mass spectrometry, and binding kinetics, we intend to construct a vaccine that effectively utilizes the fusion proteins of NiV to initiate a productive immune response against the virus. Additional work will be designed for Phase II, where collaboration for the development of lipid nanoparticles (LNPs) will be required to validate the viability of the vaccine through additional experiments (external partners). Ultimately, our efforts to target Ephrin B2 and B3 in the synthesis of an NiV vaccine holds great potential since it has been well substantiated that both of these glycoproteins are special entry receptors that allow the Nipah virus to infect mammalian cells. Furthermore, a nuanced understanding of these receptors are essential for the scientific community’s future steps to eradicate NiV from hard-hit countries, including India and Bangladesh.