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Publications

Piles of Paper

Original research at ASDRP is disseminated in the form of peer-reviewed publications in various journals. 

 

All publications have one or multiple high school co-authors. Check out the list below for a glimpse of the publication track at ASDRP.

Publications | 2025

  1. Bharath, M., Le, A., Konda, V., Srivastava, S., Beliaev, M., Chen, M., George, A., Zhang, A., Tan, S., Ginto, E., Awatiger, A., Bahuguna, K., Li, V., Kedamani, S., Cao, X., Zeng, H., Xiong, G., Prabhu, M., Modi, A., Wang, Y. & Wang, J.  Quantitative flow cytometry using quantitative streptavidin-protein G-biotin beads (qBeads). Journal of Immunological Methods 2025, 113883. DOI: https://doi.org/10.1016/j.jim.2025.113883. [Full Article Link]
     

  2. Chen, Jason; Tran, Tuyen; Wong, Anthony; Wang, Luofei; Annaluru, Pranavi; Sreekanth, Vibha; Murthy, Samika; Munjeti, Laasya; Park, Tanya; Bhat, Utkarsh; Leong, Glynnis; Li, Yumeng; Chen, Simeng; Kong, Natalie; Raval, Rushika; Xie, Yining; Somani, Shreya; Bhambhani; Aditi; Zhu, Zoey; Chu, Landen; Dosch, Kimai; Njoo, Edward; Chen, Zhan."Direct Expression of CPT1a Enables a High Throughput Platform for the Discovery of CPT1a Modulators." Applied Biosciences 2025 4(2), 25. DOI: https://doi.org/10.3390/applbiosci4020025 [Full Article Link] [Article PDF]
     

  3. Gu, Tiffany; Lu, Amber; Wang, Xina; Brahan, Natalie; Xu, Lexi; Zhang, Leyuan; Su, Kaitlyn; Seow, Kody; Vu, Julia; Luk, Charissa; Lee, Jade; Raman, Anirudh; Pazzi, Joseph; Njoo, Edward. "Synthesis and Evaluation of Carmofur Analogs as Antiproliferative Agents, Inhibitors to the Main Protease (Mpro) of SARS-CoV-2, and Membrane Rupture-Inducing Agents." Discover Chemistry 2025, ASAP. DOI: https://doi.org/10.1101/2024.10.11.617727  [Full Article Link]
     

  4. Somani, Shreya; Menta, Lekhya; Wang-Johanning, Feng; Johanning, Gary; Hong, Seoyeon; Njoo, Edward. "Synthesis, anticancer properties, and biological profiling of synthetic glycan analogs of proscillaridin A." bioRXiv 2025, preprint. DOI: https://doi.org/10.1101/2025.03.31.646140. [Full Article Link] [Article PDF]
     

  5. Gu, Tiffany; Raval, Rushika; Bashkin, Zachary; Zhou, Carina; Ko, Sanghyuk; Kong, Natalie; Hong, Seoyeon; Bhaskara, Aditya; Shah, Samarth; Joshi, Aditi; Thellakal, Samahith; Rim, Kaitlyn; Marimuthu, Anushree; Venkatesan, Srishti; Wang, Emma; Li, Sophia; Jayabalan, Aditi; Tao, Alice; Fang, Yilin, Xia, Lorelei; Chui, Aidan; Shu, Emily; Zhang, Tracy; Chen, Zhan; Njoo, Edward. "Synthesis, antiproliferative activity, and biological profiling of C-19 trityl and silyl ether andrographolide analogs in colon cancer and breast cancer cells." Bioorganic & Medicinal Chemistry Letters 2025, 121, 130163. DOI: https://doi.org/10.1016/j.bmcl.2025.130163 [Full Article Link]
     

  6. Shu, Emily; Lloyd, Madeleine; Marimuthu, Anushree; Kulkarni, Anika; Chen, Rosie; Venkatesan, Srishti; Athreya, Samyukta; Kulkarni, Riya; Wang, Jonathan; Sreedhar, Aditya; Bianco, Nadia; Hyunh, Kaithlyn; Han, Eric; Gore, Adrian; Chen, Raymond; Yamamoto, Akira; Njoo, Edward.  Journal of Emerging Investigators 2025, online. DOI: https://doi.org/10.59720/22-281 [Full Article Link] [Article PDF]
     

  7. Gutti, Mihira; Tsui, Melanie; Yang, Stella; Xi, Selina; Luo, Jennifer; Desarkar, Arshia; Xie, Yining; Feng, Mirabelle; Avadhani, Udbhav; Raghavan, Shloka; Brierley-Green, Elena; Yu, Erika; Njoo, Edward. "Synthetic derivatives of vinpocetine as antiproliferative agents"BioRXiv Preprint 2025, in review. DOI: https://doi.org/10.1101/2025.03.15.643482. [Full Article Link] 
     

  8. Gutti, Mihira; Luo, Jennifer; Sharma, Vihaan; Lee, Emilia; Desarkar, Arshia; Raval, Rushika; Soedarmono, Augustus; Zhu, Joy; Njoo, Edward. BioRXiv Preprint 2025, in review. DOI: https://doi.org/10.1101/2025.01.11.632297DOI: https://doi.org/10.47611/jsrhs.v12i2.4213 [Full Article Link] [Article PDF] 
     

  9. Melwani, R., Noru, K., Kondapalli, S., Ravi, A., Shah, S., Sashtry, S., ... & Jahanikia, S. "Severity and duration of post-acute sequelae of SARS-CoV-2 infection symptoms: Focus on physiological and cognitive effects." Microbes & Immunity 2025, 2(2), 106-117. DOI: https://doi.org/10.36922/mi.8545  [Article Link]
     

  10. George, A., Dongara, D., Raghuraman, D., Li, J., Bhatia, M., Nagpal, N., & Jahanikia, S. "Design Thinking and its Application to Healthcare Innovation: An AI‐Enhanced Framework for Drug Discovery." Preprints 2025, in review. DOI:doi.org/10.20944/preprints202505.0044.v1 [Full Article Link] [Article PDF] 
     

  11. Kumar, A., Khadtare, M., & Dharmale, Pragati. "Enhancing Human-Computer Interaction: An Accurate Video-Based American Sign Language Translation Model Using Machine Learning Techniques." In 2025 IEEE International Conference on Consumer Electronics (ICCE) (pp. 1-6). IEEE. 2025. [Full Article Link]
     

  12. Gupta, P., Lee, H., Laxmanan, A., Khadtare, M., Dharmale, Pragati, & Ahire, D. "Automated Recognition of Autism Spectrum Disorder from EEG Signals Using a CNN-LSTM Hybrid Model." In 2025 IEEE International Conference on Consumer Electronics (ICCE) (pp. 1-6). IEEE. 2025, online. [Full Article Link]
     

  13. Sobalkar, A., Khadtare, M., Dharmale, P., & Kharate, G. K. "Exploration of New Models to Enhance Treadmill Usage and Analyze Optimal Use Cases for All Age Groups." In 2025 IEEE International Conference on Consumer Electronics (ICCE) (pp. 1-6). IEEE. 2025, online. [Full Article Link]
     

  14. You could be next!

2025

Publications | 2024

  1. Li, Sophia; Wang, Emma; Pei, Leia; Deb, Sourodeep; Panda, Raina; Prabhala, Prashanth; Eltepu, Shiven; Akl, Marx; McMahan, Larry; Njoo, Edward. "Evaluation of machine learning models for the accelerated prediction of Density Functional Theory calculated 19F chemical shifts based on local atomic environments." Artificial Intelligence Chemistry 2024, in press. DOI: https://doi.org/10.1016/j.aichem.2024.100078 [Full Article Link] [Article PDF]
     

  2. Bordia, A., Chawla, A., Gao, K., & McMahan, Larry. "A Multimodal Approach for Skin Lesion Diagnosis." In 2024 2nd DMIHER International Conference on Artificial Intelligence in Healthcare, Education and Industry (IDICAIEI) (pp. 1-5). IEEE 2024[Full Article Link]
     

  3. Cui, M., Chang, L., Chau, A., Mekuria, H., Adwankar, L., Pendyala, S., & McMahan, L. "Efficient and Optimized Small Organic Molecular Graph Generation Pathway Using a Quantum Generative Adversarial Network." In 2024 IEEE International Conference on Quantum Computing and Engineering (QCE) (Vol. 1, pp. 1565-1570). IEEE. 2024, online. [Full Article Link]
     

  4. Chyu, Andrew; Xi, Selina; Kim, Joshua; Liu, Galen; Chan, Indalina; Hong, Seoyeon; Ke, Allen; Lavery, Thomas; Marimuthu, Anushree; Akula, Arjun; Njoo, Edward. "Benchtop 19F NMR Spectroscopy optimized Knorr pyrazole synthesis of Celecoxib and Mavacoxib, 3-(trifluoromethyl) pyrazolyl benzenesulfonamides Non-Steroidal Anti-Inflammatory Drugs (NSAIDs)." Spectroscopy Journal 2024, 2(4), 206-215. DOI: https://doi.org/10.3390/spectroscj2040014 [Full Article Link]
     

  5. Bodapati, P., Zhang, E., Padmanabhan, S., Das, A., Bhattacharya, M., & Jahanikia, Sahar. "A Global Network Analysis of COVID-19 Vaccine Distribution to Predict Breakthrough Cases among the Vaccinated Population." COVID 2024, 4(10), 1546-1560. DOI: doi.org/10.3390/covid4100107 [Full Article Link] 
     

  6. Lu, Breanna; Xu, Lexi; Chen, Harriet; Yu, Grace; Khow, Kimberly; Yang, Stella; Dinker, Arushi; Njoo, Edward. "C-4 analogs of podophyllotoxin as tubulin inhibitors: Synthesis, biological evaluation, and structure-activity relationship." Natural Product Research 2024, 1, 1-7. DOI: https://doi.org/10.1080/14786419.2024.2410410  [Full Article Link] 
     

  7. Tran, Kara; Shah, Aashi; Saha, Rittika; Song, Claire; Liang, Emily; Njoo, Edward. "Mechanistic Deconvolution of Autoreduction in Tetrazolium-based Cell Viability Assays." Journal of Emerging Investigators 2024, online. DOI: https://doi.org/10.59720/22-186  [Article Link]
     

  8. Dileep, R., Patil, M., Mahesh, T., Deshmukh, A., Liu, S., Narayanan, A., & McMahan, Larry. "Predicting college retention rates from Google Street View images of campuses." Academia.edu 2024, online preprint. [Full Article Link] [Article PDF] 
     

  9. Chunduri, Krishna; Srinivas, Vishnu; Larry McMahan. "Jet optimization using a hybrid multivariate regression model and statistical methods in dimuon collisions." Journal of Emerging Investigators 2024, online. DOI: https://doi.org/10.59720/23-180 [Full Article Link] [Article PDF]
     

  10. Pan, Michelle; Vaiyakarnam, Viabhav; Li, Allen; McMahan, Larry. "Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes." Journal of Emerging Investigators 2024, online. DOI: https://doi.org/10.59720/23-130 [Full Article Link] [Full Article PDF]
     

  11. Gangal, Krish; Gerz, Ipek; Goyal, Tanvi; Iyer, Ajeeth; Vaiyakarnam, Vaibhav; McMahan, Larry. "Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets." J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-211 [Full Article Link] [Article PDF]
     

  12. Bhatnagar, Sweekrit; Cao, Yue; Hasteer, Diya; Li, Joshua; McMahan, Larry. "Relating socioeconomic position (SEP) and vaccination with Covid-19 rates in select populations." J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-144 [Full Article Link] [Article PDF]
     

  13. Baranwal, Tanish; Huang, Howard; Avadhani, Udbhav; Goyal, Anya; Samavedam, Akhil; Hu, Timothy; Kale, Mihir; Nepani, Tvisha; Njoo, Edward; Downing, Robert. "Quantitative definition of chemical synthetic pathway complexity of organic compounds." J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-009 [Full Article Link] [Article PDF]
     

  14. Lu, Breanna; Xu, Lexi; Chen, Harriet; Yu, Grace; Khow, Kimberly; Yang, Stella; Dinker, Arushi; Njoo, Edward. "C-4 analogs of podophyllotoxin as tubulin inhibitors: Synthesis, biological evaluation, and structure-activity relationship." ChemRXiv, 2023. DOI: 10.26434/chemrxiv-2023-d5lcg  [Preprint Link]
     

  15. Liu, Bridget; Zhong, Alan; Ferguson, Adrienne; Shah, Aashi; Hsu, Nathan; Agarwal, Yash; Yu, Erika; Njoo, Edward. "Mass spectrometry enabled quantification of dopamine and metabolites." Manuscript in review. 
     

  16. Raghavan, Shloka; Nambiar, Niharika; Thomas, Nathaniel; Brierly-Green, Elena; Nepani, Tvisha; Babu, Suhani; Njoo, Edward. "In vivo and in silico structure activity relationship of nematocidal activity of spiroketal-functionalized avermectin-related macrolides." J. Emerging Investigators 2023, ASAP

2024

Publications | 2023

  1. Chen, Rosie; Singh, Pratyush; Su, Sarah; Kocalar, Selin; Wang, Xina; Mandava, Neha; Venkatesan, Srishti; Ferguson, Adrienne; Rao, Aishi; Le, Emma; Rojas, Casey; Njoo, Edward. “Benchtop 19F Nuclear Magnetic Resonance (NMR) Spectroscopy Provides Mechanistic Insight into the Biginelli Condensation towards the Chemical Synthesis of Novel Trifluorinated Dihydro- and Tetrahydropyrimidinones as Antiproliferative Agents.” ACS Omega 2023. DOI: https://doi.org/10.1021/acsomega.3c00290 [Full Article Link] [Article PDF]
     

  2. Cui, Max; Chau, Adelina; Pan, Michelle; Vaiyakarnam, Vaibhav; McMahan, Larry. "Molecular Geometry Generation Processes Through Hybrid Quantum-Classical Generative Adversarial Networks and Python-Based Self-Consistent Field Molecular Calculations" IEEE Xplore, online. [Full Article Link]
     

  3. Raman, Sankrith; Tailor, Isha; Kallahalla, Smriti; Cheung, Stephanie; Poon, Chloe; Parashar, Vivek, Brah, Harman. "Structure-activity relationship of berberine and G4 DNA reveals aromaticity’s effect on binding affinity." Journal of Emerging Investigators 2023, online. [Full Article Link] [Article PDF]
     

  4. Wang, Xina; Vu, Julia; Luk, Charissa; Njoo, Edward; "Benchtop 19F nuclear magnetic resonance spectroscopy enabled kinetic studies and optimization of the synthesis of carmofur." Canadian J. Chem 2023, online. DOI: 10.26434/chemrxiv-2022-9213j [Full Article Link] [Preprint Link]
     

  5. Ting, Patrick; Sahu, Aayaan; Wajge, Nishad; Rao, Vineet; Poosarla, Hiresh; Mui, Phil. "Using Model Classification to detect Bias in Hospital Triaging." Annals of Biomedical Science and Engineering 2023. [Full Article Link] 
     

  6. Chhatare, Falak; Deshpande, Sudhanva; Malik, Sidhant; Yan, Grace; Subramaniam, Suresh. "Brain Tumor Detection Using Convolutional Neural Network." J. Student. Research 2023. DOI: https://doi.org/10.47611/jsrhs.v12i2.4213 [Full Article Link] [Article PDF] 
     

  7. Rustagi, Aaryan; Padisetti, Vajraang; Subramaniam, Suresh. "Fake Review Detection Using Machine Learning." Journal of Student Research, 11(1). https://doi.org/10.47611/jsrhs.v11i1.3281  [Article Link]
     

  8. Sikdar, Diptanshu; Cui, Max; Chau, Adelina; Bhamra, Arjun; Prasanna, Satvik; McMahan, Larry. "Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules"  J. Emerging Investigators 2023, online. [Full Article Link] [Article PDF] 
     

  9. Mandava, Neha; Avadhani, Udbhav; Le, Stacey; Goyal, Emily; Njoo, Edward. "Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone" J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-116 [Full Article Link] [Article PDF]
     

  10. Thomas, Nathaniel; Bhatnagar, Sweekrit; Agarwal, Avirral; Iyer, Anya; Sankar, Niranjana; Bhargava, Manav; Ye, Spencer; Li, Edwin; Nandi, Ritam; Njoo, Edward; Downing, Robert. "Key Molecular Descriptors Distinguishing Between Synthetic and Natural Products." ChemRXiv 2023, online. DOI: 10.26434/chemrxiv-2023-t2lwf [Preprint Link] 
     

  11. Gangal, Krish; Gerz, Ipek; Goyal, Tanvi; Iyer, Ajeeth; Vaiyakarnam, Vaibhav; McMahan, Larry. "Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets." J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-211 [Full Article Link] [Article PDF]
     

  12. Bhatnagar, Sweekrit; Cao, Yue; Hasteer, Diya; Li, Joshua; McMahan, Larry. "Relating socioeconomic position (SEP) and vaccination with Covid-19 rates in select populations." J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-144 [Full Article Link] [Article PDF]
     

  13. Baranwal, Tanish; Huang, Howard; Avadhani, Udbhav; Goyal, Anya; Samavedam, Akhil; Hu, Timothy; Kale, Mihir; Nepani, Tvisha; Njoo, Edward; Downing, Robert. "Quantitative definition of chemical synthetic pathway complexity of organic compounds." J. Emerging Investigators 2023, online. DOI: https://doi.org/10.59720/22-009 [Full Article Link] [Article PDF]
     

  14. Lu, Breanna; Xu, Lexi; Chen, Harriet; Yu, Grace; Khow, Kimberly; Yang, Stella; Dinker, Arushi; Njoo, Edward. "C-4 analogs of podophyllotoxin as tubulin inhibitors: Synthesis, biological evaluation, and structure-activity relationship." ChemRXiv, 2023. DOI: 10.26434/chemrxiv-2023-d5lcg  [Preprint Link]
     

  15. Liu, Bridget; Zhong, Alan; Ferguson, Adrienne; Shah, Aashi; Hsu, Nathan; Agarwal, Yash; Yu, Erika; Njoo, Edward. "Mass spectrometry enabled quantification of dopamine and metabolites." Manuscript in review. 
     

  16. Raghavan, Shloka; Nambiar, Niharika; Thomas, Nathaniel; Brierly-Green, Elena; Nepani, Tvisha; Babu, Suhani; Njoo, Edward. "In vivo and in silico structure activity relationship of nematocidal activity of spiroketal-functionalized avermectin-related macrolides." J. Emerging Investigators 2023, ASAP.
     

  17. Li, Shelley; Pandrangi, Kavya; Njoo, Edward. "High-Throughput Virtual Screening and Homology Modeling Enables the Identification of Hit Analogs of Efavirenz." J. Emerging Investigators 2023, ASAP. Manuscript accepted.
     

  18. Su, Sarah; Le, Emma; Singh, Pratyush; Sri Indran, Karthikha; Pal, Sohie; Regan, Anika; Jain, Meher; Shah, Aashi; Njoo, Edward. "Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy" J. Emerging Investigators 2023, online. [Full Article Link] [Article PDF] 

2023

Publications | 2022

2022
  1. Yu, Erika; Raghavan, Shloka; Anand, Shreya; Xu, Harrison, Nepani, Tvisha; Nambiar, Niharika; Vu, Julia; Zhang, Alivia; Babu, Suhani; Brierley-Green, Elena; Peer, Anushka; Finkelstein, Alice; Ferguson, Adrienne; Avadhani, Udbhav, Nittala, Sanhita; Njoo, E.S. "Modular mimics of neuroactive alkaloids: design, synthesis, and cholinesterase activity of novel rivastigmine analogs", J. Emerging Invesitgators, 2022, online. [Full article link] [Article PDF]
     

  2. Kocalar, Selin; Njoo, E.S. "Taft linear free-energy relationships in the biocatalytic hydrolysis of sterically hindered nitrophenyl ester substrates" J. Emerging Investigators, 2022, online. [Full Article Link] [Article PDF]
     

  3. Chen, Rosie; Singh, Pratyush; Su, Sarah; Kocalar, Selin; Wang, Xina; Mandava, Neha; Venkatesan, Srishti; Ferguson, Adrienne; Rao, Aishi; Le, Emma; Rojas, Casey; Njoo, Edward. “Benchtop 19F Nuclear Magnetic Resonance (NMR) Spectroscopy Provides Mechanistic Insight into the Biginelli Condensation towards the Chemical Synthesis of Novel Trifluorinated Dihydro- and Tetrahydropyrimidinones as Antiproliferative Agents.” ChemRxiv 2022. DOI: 10.26434/chemrxiv-2022-1371g-v2 [Full Article Link]
     

  4. Huang, Elijah; Mui, Phil. "Modeling Misinformation With Q-Learning, Nim, and Multi-Agents," MIT Undergraduate Research Technology Conference (URTC) 2022, accepted. 
     

  5. Wang, Xina; Vu, Julia; Luk, Charissa; Njoo, Edward; "Benchtop 19F nuclear magnetic resonance spectroscopy enabled kinetic studies and optimization of the synthesis of carmofur." ChemRXiv 2022. DOI: 10.26434/chemrxiv-2022-9213j [Preprint Link]
     

  6. Luk, Charissa; Wu, Jeslyn; Njoo, Edward; "Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations." J. Emerging Investigators 2022, online. [Full Article Link] [Article PDF] 
     

  7. Adhikesaven, Sanjay; Kapoor, Aradhya; Khowaja, Ali; Li, Vivian; Sabhanayakam, Karthik; McMahan, Larry. "Predicting the Instance of Breast Cancer within Patients using a Convolutional Neural Network." J. Emerging Investigators 2022, online. [Full Article Link] [Article PDF] 
     

  8. Kocalar, Selin; Zhou, Alice; Salahifar, Aylin; Njoo, Edward. "Spectrophotometric comparison of 4-Nitrophenyl carbonates & carbamates as base-labile protecting groups." J. Emerging Investigators 2022, online. [Full Article Link] [Article PDF]
     

  9. Zhou, Alice; Chang, Warren; Wang, Tiffany; Wu, Jeslyn; Kocalar, Selin; Swaminathan, Lakshman; Rao, Aishi; Athreya, Samyukta; Chanda, Priya; Njoo, Edward. "Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs." J. Emerging Investigators 2022, online. [Full Article Link] [Article PDF] 
     

  10. Udgaonkar, Aditya; Wu, Jeslyn; Rao, Aishi; Njoo, Edward. "Deuterated solvent effects in the kinetics and thermodynamics of keto-enol tautomerization of ETFAA." J. Emerging Investigators 2022, online. [Full Article Link] [Article PDF]
     

  11. Tran, Kara; Shah, Aashi; Saha, Rittika; Song, Claire; Liang, Emily; Njoo, Edward. "Mechanistic deconvolution of autoreduction in tetrazolium-based cell viability assays." J. Emerging Investigators, manuscript accepted, 2022. 
     

  12. Shu, Emily; Lloyd, Madeleine; Marimuthu, Anushree; Kulkarni, Anika; Chen, Rosie; Venkatesan, Srishti; Athreya, Samyukta; Kulkarni, Riya; Wang, Jonathan; Sreedhar, Aditya; Bianco, Nadia; Hyunh, Kaitlyn; Han, Eric; Gore, Adrian; Chen, Raymond; Yamamoto, Akira; Njoo, Edward. "High-performance liquid chromatography insight in pH-dependent hydrolysis of andrographolide acetonide" J. Emerging Investigators, manuscript accepted. 2022. 
     

  13. Su, Sarah; Le, Emma; Sri Indran, Karthikha; Pal, Sohie; Regan, Anika; Jain, Meher; Shah, Aashi; Njoo, E.S. "Singlet oxygen production of reduced berberine analogs via a 4+2 cycloaddition monitored by benchtop nuclear magnetic resonance (NMR) spectroscopy."  J. Emerging Investigators, manuscript accepted, 2022
     

  14. Zhou, Alice; Li, Emily; Long, Vivian; Dai, Emily; Long, Lawrence; Njoo, Edward. "Strain selective in-vivo and in silico structure-activity relationship (SAR) of tetracycline antibiotics." J. Emerging Investigators, manuscript accepted, 2022. 
     

  15. Li, Shelley; Pandrangi, Kavya; Njoo, Edward; "High-Throughput Virtual Screening and Homology Modeling
    Enables the Identification of Hit Analogs of Efavirenz." J. Emerging Investigators, manuscript accepted, 2022. 

     

  16. Baranwal, Tanish; Huang, Howard; Avadhani, Udbhav, Goyal, Anya; Samavedam, Akhil; Kale, Mihir; Nepani, Tvisha; Hu, Timothy; Srikanth, Vishak; Downing, R.A. ; Njoo, E.S. "Quantitative Definition of Chemical Complexity Through Gaussian Mixture Models and Autoencoder Approaches." J. Emerging Investigators, manuscript accepted 2022.
     

  17. Raghavan, Shloka; Nambiar, Niharika; Thomas, Nathaniel; Brierley-Green, Elena; Nepani, Tvisha; Babu, Suhani; Njoo, Edward. "In vivo and in silico structure activity relationship of nematocidal activity of spiroketal-functionalized avermectin-related macrolides. manuscript submitted, 2022. 
     

  18. Suresh, Rohit; Sriram, Srinitya; Garg, Vivek; Kamdar, Yash; Kuchibhotla, Sahana; Renganathan, Gayathri. "In silico modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives" J. Emerging Investigators 2022, online. [Article Link] 

Publications | 2021

  1. Lutz, Michael; Gadaginmath, Sanjana; Vairavan, Natraj; Mui, Phil. "Examining Political Bias within YouTube Search and Recommendation Algorithms." IEEE XPlore, Symposium Series in Computational Intelligence, 2021. [Full Article Link]
     

  2. Luk, Charissa; Nepani, Tvisha; Bhattacharjee, Shamita; Raman, Thoya; Avadhani, Udbhav; Su, Sarah; Raghavan, Shloka; Mandava, Neha; Chanda, Priya; Rao, Aishi; Wang, Xina; Shah, Aashi; Wu, Jeslyn; Njoo, E.S. "In silico screen of a library of carmofur analogs as potential inhibitors of the SARS-CoV-2 main protease and its variants through homology modeling." manuscript in review, 2021

  3. Kocalar, Selin; Njoo, E.S. "Taft linear free-energy relationships in the biocatalytic hydrolysis of sterically-hindered nitrophenyl ester substrates." manuscript submitted 2021, [Preprint PDF]
     

  4. Wu, Jeslyn; Udgaonkar, Aditya; Rao, Aishi; Njoo, E.S.* "Deuterated solvent effects in the kinetics and thermodynamics of keto-enol tautomerization of ethyl 4,4,4-trifluoroacetoacetate." manuscript submitted, 2021.
     

  5. Lutz, Michael; Gadaginmath, Sanjana; Vairavan, Natraj; Srivatsan, Sriram, Mui, Phil*. "Reflection of Political Bias within YouTube Search and Recommendation Algorithms." Young Scientists Journal 2021, online. [Full Article Link]
     

  6. Luk, Charissa; Wu, Jeslyn; Njoo, E.S. "Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations", Journal of Emerging Investigators 2021, ASAP[Preprint PDF]
     

  7. Kumar, Maithili; Lin, Justin; Loh, Angelina; Palle, Adithya; Mui, Phil.* "Demographic Bias in Unemployment Across the U.S. during the 2020 COVID-19 Pandemic." Young Scientists Journal 2021, [Full Article Link]
     

  8. Cheng, Ashley; Medikonduru, Isha; Mouli, Leela; Ramakrishnan, Akshaya; Mikhail, Nardeen*. "Isolation and Inhibition of Psychotropic Fungi in Dairy Products. Journal of Research High School 2021, [Full Article Link] [Article PDF]
     

  9. Ashok, Bhavesh; Hedvig, Danielle; Sundar, Shreya; Yadavalli, Arunaabha; Brah, Harman*; Clark, Scott.* "De novo design and computational structure activity relationship (SAR) of fat mass and obesity-associated (FTO) protein inhibitors to combat obesity." manuscript submitted, 2021.
     

  10. Nandyala, Haasini; Pham, Ariel; Wagle, Anushka; Daggolu, Hansika; Guha, Amrita; Sankar, Reya; Chan, Chloe; Venkatesh, Dipti; Renganathan, Gayathri.* "Identification of Novel Protein Targets for Fenugreek to Treat Diabetes: A Molecular Docking Study." manuscript submitted, 2021.
     

  11. Ashok, Bhavesh; Baranwal, Tanish; Avadhani, Udbhav; Biddala, Geethika; Nepani, Tvisha; Srikanth, Vishak; Zaceria, Luqman; Williams, Natalia; Downing, R.A.*; Njoo, E.S.* "Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors." manuscript submitted, 2021. [Preprint PDF]
     

  12. Shah, Aashi; Raghavan, Shloka; Bhattacharjee, Shamita; Rajasekhar, Anushka; Beldona, Varsha; Verma, Pranjal; Yuvaraj, Aishwarya; Rajkumar, Harsha; Njoo, E.S. "In silico comparative screening of anti-amyloidogenic properties of a targeted library of natural product polyphenols towards identification of potential leads in therapeutics for amyloid-linked neurodegenerative diseases" manuscript in review 2021, [Preprint PDF]
     

  13. Kocalar, Selin; Zhou, Catherine; Tan, Jadon; Liu, Alex; Chen, Elliot; Salahifar, Aylin; Verma, Pranjal; Pemmaraju, Saanvi; Njoo, E.S. "Hammett linear free-energy relationships in the biocatalytic hydrolysis of para-substituted nitrophenyl benzoate esters." Journal of Emerging Investigators 2021, ASAP. [Preprint PDF]
     

  14. Haque, Ayaan; Kukal, Aryaman; Rao, Yamuna; Cho, David; Rao, Keshav*. "A Computational Analysis on Nicotine Withdrawal and Cardiac Arrhythmia and Their Effects on COVID-19." Journal of Student Research 2021 10(1), https://doi.org/10.47611/jsrhs.v10i1.1302 [Link] [Full Article]
     

  15. Raghavan, Shloka; Anand, Shreya; Vittaladevuni, Ananya; Zhang, Alivia; Mandava, Neha; Biddala, Geethika; Gupta, Navya; Iglesias, David; Njoo, E.S. "Synthetic and Natural Phytohormones: A Review and Analysis of their Development, Functions, and Impacts." Journal of Research High School, manuscript accepted, 2021. 
     

  16. Suresh, Rohit; Sriram, Srinitya; Garg, Vivek; Kamdar, Yash; Kuchibhotla, Sahana; Renganathan, Gayathri*. "In silico screening of emodin's interactions with serine/threonine kinases and chitosan derivatives." manuscript submitted 2021[Preprint PDF]
     

  17. Wu, Jeslyn; Luk, Charissa; Zhou, Catherine; Shah, Aashi; Yuvaraj, Aishwarya; Njoo, E.S. "Design and in silico screening of analogs of rilpivirine as novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) for antiretroviral therapy." Journal of Emerging Investigators, manuscript accepted, 2021. [Link] [Full Text PDF]
     

  18. Su, Sarah; Sri Indran, Karthikha; Pal, Sohie; Le, Emma; Regan, Anika; Jain, Meher; Shah, Aashi; Iglesias, David; Wang, Andrew; Njoo, E.S. "Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation." Jounal of Emerging Investigators 2021 online, [Link] [Full Text PDF]
     

  19. Khow, Kimberly; Nair, Ria; Chari, Sadhana; Xie, Katherine; Kale, Isha; Mikhail, Nardeen*. "Detection and control of spoilage fungi in refrigerated vegetables and fruits." Journal of Emerging Investigators  2021, online. [Link] [Full Text PDF]
     

  20. Suresh, Rohit; Garg, Vivek; Kamdar, Yash; Kalathoti, Angelina; Renganathan, Gayathri. "Evaluation of Improved and Current Vanillin Based Colorimetric Quantification Methods of Triterpenoids," Journal of Student Research 2021, manuscript accepted. [Preprint PDF]

Publications | 2020

  1. Sun, Stephanie; Hamid, Saira; Su, Sarah; Su, Andrew; Ashok, Bhavesh; Simrun; Njoo, Edward "Strain-specific and photochemically-activated antimicrobial activity of berberine and two berberine analogs." Journal of Emerging Investigators 2020, [Article PDF] [Full Article Link]
     

  2. Sun, Stephanie; Su, Andrew; Sakhrani, Simrun; Ashok, Bhavesh; Su, Sarah; Rajamanickam, Sarada; Njoo, E.S. "Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad spectrum antibiotics." Journal of Emerging Investigators 2020, ASAP. [Preprint PDF]
     

  3. Surapaneni, Anvi; Surapaneni, Atri; Wu, Jeslyn; Bajaj, Ayush; Reyes, Katrina Mae; Adwankar, Rohan; Vittaladevuni, Ananya; Njoo, E.S. "Kinetic monitoring and Fourier-Transform Infrared (FTIR) spectroscopy of the green oxidation of (-)-menthol to (-)-menthone." Journal of Emerging Investigators 2020, ASAP. [Link] [Full Article]
     

  4. Surapaneni, Anvi; Surapaneni, Atri; Adwankar, Rohan; Wu, Jeslyn; Reyes, Katrina Mae; Vittaladevuni, Ananya; Njoo, E.S. "A Review of Non-Nucleoside Reverse Transcriptase Inhibitors’ Structure and Activity with HIV-1 Reverse Transcriptase." Young Scientists Journal 2020, [Full Article Link]
     

  5. Rajasekhar, Anushka; Khandepekar, Simone; Raghavan, Shloka; Suresh, S. "DNA Analysis of the Sucrose Synthase Enzyme in Genetically Modified and Heirloom Pisum sativum." Young Scientists Journal 2020, [Full Article Link]
     

  6. Sun, Stephanie; Anand, Kavya; Ashok, Ishani; Ashok, Bhavesh; Bajaj, Ayush; Beldona, Varsha; Chattopadhyay, Kushal; Kwan, Audrey; Mageswaran, Karankumar; Surapaneni, Anvi; Surapaneni, Atri; Verma, Pranjal; Chen, Allen; Kolala, Ria; Liang, Andrew; Poosarla, Ayeeshi; Premnath, Krithikaa; Sri Indran, Karthikha; Wu, Jeslyn; Yuvaraj, Aishwarya; Raj, Harsha; Sathish, Tanish; Shah, Aashi; Su, Sarah; Tran, Kara; Njoo, E.S. "Reactivity-guided de novo molecular design and high throughput virtual screening of a targeted library of peptidomimetic compounds reveals charge-based structure-activity
    relationship of potential covalent inhibitors of the main protease of SARS-CoV-2." Journal of Student Research 2020, 9(2), 1082. https://doi.org/10.47611/jsrhs.v9i2.1082
    [Full Article Link] [Article PDF]

     

  7. Shrivastava, Anoushka; Downing, R.A. "A Quantitative Study of the Voynich Manuscript through the Kolmogorov-Smirnov Test." manuscript in review, [Preprint PDF]
     

  8. Chang, Warren; Rajaram, Vigasini; Yallapali, Harshith; Dong, Arielle; Huang, Kimberly; Valiveru, Anirudh; Njoo, E.S. "Rational design, combinatorial synthesis, and antimicrobial activity of novel biaryl imines and amines as potential competitive inhibitors of dihydropteroate synthase." manuscript submitted. [Preprint PDF]
     

  9. Sun, Stephanie; Ashok, Bhavesh; Su, Andrew; Hamid, Saira; Sri Indran, Karthikha; Shah, Aashi; Su, Sarah; Sakhrani, Simrun; Njoo, E.S. "Computational structure-activity relationship (SAR) of berberine analogs reveals both position- and target-dependence in double stranded and G-quadruplex DNA binding." Journal of Emerging Investigators 2020, manuscript accepted, [Article PDF]
     

  10. Shrivastava, Anoushka; Kainth, Krrish; Yin, Bowen; Joshi, Mihir; Mehta, Sahil; Patel, Shervil; Shah, Rishabh; Sekar, Mythri; Downing, R.A. "An Application of Data Mining And Frequency Analyses to Determine Source Languages of the Voynich Manuscript" 2019, Academia.edu preprint [Full Article Link]
     

  11. Shern, Tyler; Rai, Ansh; Premanth, Krithikaa; Kolala, Ria; Ashok, Ishani; Kwan, Audrey; Njoo, E.S. "High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics." Journal of Emerging Investigators 2020, manuscript accepted, [Preprint PDF]
     

  12. Premnath, Krithikaa; Kolala, Ria; Shern, Tyler; Rai, Ansh; Ashok, Ishani; Kwan, Audrey; Njoo, E.S. "Monastrol and Dihydropyrimidines: The Future of Small Molecule Kinesin Eg5 Inhibitors," Journal of Youths in Science 2021, [Full Article Link] [Full Text PDF]
     

  13. Chen, Allen; Poosarla, Ayeeshi; Liang, Andrew; Njoo, E.S. "Tracking Enzymatic Hydrolysis of an Amide Bond Using Highly Simplified 4-nitroanilide Colorimetric Substrates." National High School Journal of Science 2020 ASAP, [Preprint PDF]
     

  14. Vitalladevuni, Ananya; Mukkamala, Ishya; Das, Saahil; Suresh, S. "In silico development of a novel DNA-directed interfering RNA fragment to treat SARS-CoV-2." in progress, [Preprint PDF]
     

  15. Biddala, Geethika Reddy; Mandava, Neha; Makhija, Aarya; Liu, Edison; Suresh, S. "Effect of differential growth conditions and environmental stress factors in reactive oxygen species (ROS) generation and polyphenol biosynthesis in Salvia Rosmarinus." [Preprint PDF]
     

  16. Chen, Allen; Poosarla, Ayeeshi; Mageswaran, Karan; Rajasekhar, Anushka; Fu, Brian; Liang, Andrew; Tran, Kara; Njoo, E.S. "Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent." Journal of Emerging Investigators 2020, ASAP [Article PDF]
     

  17. Ashok, Bhavesh; Bajaj, Ayush; Adwankar, Rohan; Surapaneni, Atri; Surapaneni, Anvi; Chen, Allen; Sun, Stephanie; Chattopadhyay, Kushal; Wu, Jeslyn; Liang, Andrew; Poosarla, Ayeeshi; Mageswaran, Karankumar; Rao, Isha; Kharshingher, Sania; Booma, Sushruth; Njoo, E.S.; Downing, R.A. "Pharmacophore-based screening and identification of molecular level descriptors applied to non-nucleoside reverse transcriptase inhibitors (NNRTIs)" manuscript in review, [Preprint PDF]
     

  18. Kwan, Audrey; Yuvaraj, Aishwarya; Raghavan, Shloka; Shern, Tyler; Rai, Ansh; Premnath, Krithikaa; Kolala, Ria; Ashok, Ishani; Njoo, E.S. "Computational sequence analysis and binding pocket homology modeling of kinesin-like proteins in model organisms provides insight into structural basis of the differential binding of the allosteric inhibitor monastrol." National High School Journal of Science 2020, online, [Full Article Link]
     

  19. Chen, Allen; Fu, Brian; Liang, Andrew; Mageswaran, Karankumar; Poosarla, Ayeeshi; Njoo, E.S. "β-Lactam Antibiotics: The Past, Present, and Future." manuscript in review, [Preprint PDF]
     

  20. Garg, Ananya; Jana, Pranava; Rai, Soumya; Wu, Jeslyn; Dantara, Hiral. "Analysis of Packaged Milk Quality Using Coliforms as Indicators" National High School Journal of Science 2020, [Full Article Link]
     

  21. Sun, Stephanie; Su, Andrew, Rajamanickam, Sarada; Njoo, E.S. "The Chemistry and Biological Activity of Berberine and Related Analogs." manuscript in review, [Preprint PDF]

2021
2020

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