Publications - 2021

2021

1. Sarah Krul, Carlos Crespo-Hernández, Sean Hoehn, "ELECTRONIC RELAXATION MECHANISM OF GUANINE DERIVATIVES IN SOLUTION", Proceedings of the 2021 International Symposium on Molecular Spectroscopy, 2021, doi:10.15278/isms.2021.FJ13.

2. Henry Neeman, Lorna Rivera, Lizanne DeStefano, Hussein Al-Azzawi, Dana Brunson, Patrick Clemins, Dirk Colbry, Calvin Frye, Sandra Gesing, Joshua Gyllinsky, Anna Klimaszewski-Patterson, Anchalee Phataralaoha, Todd Price, Mohammed Tanash, Daniel Voss, "An Evaluation of Cyberinfrastructure Facilitators Skills Training in the Virtual Residency Program", Practice and Experience in Advanced Research Computing, 2021, doi:10.1145/3437359.3465560.

3. Luis A. Ortiz-Rodríguez, Sean J. Hoehn, Axel Loredo, Lushun Wang, Han Xiao, Carlos E. Crespo-Hernández, "Electronic Relaxation Pathways in Heavy-Atom-Free Photosensitizers Absorbing Near-Infrared Radiation and Exhibiting High Yields of Singlet Oxygen Generation", J. Am. Chem. Soc., 2021, doi:10.1021/jacs.0c13203.

4. Mrityunjay Gupta, Monika Singha, Dnyaneshwar B. Rasale, Zehao Zhou, Srijana Bhandari, Samantha Beasley, Jasmine Sakr, Shane M. Parker, Robert C. Spitale, "Mutually Orthogonal Bioconjugation of Vinyl Nucleosides for RNA Metabolic Labeling", Org. Lett., 2021, doi:10.1021/acs.orglett.1c02584.

5. Yazan Gharaibeh, Juhwan Lee, Chaitanya Kolluru, Vladislav Zimin, Luis A. P. Dallan, Hiram G. Bezerra, David L. Wilson, "Correction of metallic stent struts and guide wire shadows in intravascular optical coherence tomography images using conditional generative adversarial networks", Medical Imaging 2021: Image-Guided Procedures, Robotic Interventions, and Modeling, 2021, doi:10.1117/12.2582177.

6. Anneke M. Frankemolle-Gilbert, Bryan Howell, Kelsey L. Bower, Peter H. Veltink, Tjitske Heida, Cameron C. McIntyre, "Comparison of methodologies for modeling directional deep brain stimulation electrodes", PLoS ONE, 2021, doi:10.1371/journal.pone.0260162.

7. Andrew Lininger, Michael Hinczewski, Giuseppe Strangi, "General Inverse Design of Layered Thin-Film Materials with Convolutional Neural Networks", ACS Photonics, 2021, doi:10.1021/acsphotonics.1c01498.

8. Chaitanya Kolluru, Juhwan Lee, Yazan Gharaibeh, Hiram G. Bezerra, David L. Wilson, "Learning With Fewer Images via Image Clustering: Application to Intravascular OCT Image Segmentation", IEEE Access, 2021, doi:10.1109/ACCESS.2021.3058890.

9. Ahmed Tahseen Minhaz, Mahdi Bayat, Duriye Damla Sevgi, Haoxing Chen, Sunwoo Kwak, Richard Helms, Faruk Orge, David L. Wilson, "Deconvolution of ultrasound biomicroscopy images using generative adversarial networks to visualize and evaluate localization of ocular structures", Medical Imaging 2021: Ultrasonic Imaging and Tomography, 2021, doi:10.1117/12.2582128.

10. Raymond J. Wieser, Kunal Rath, Stephanie L. Moffitt, Ruben Zabalza, Evan Boucher, Silvana Ayala, Matthew Brown, Xiaohong Gu, Liang Ji, Colleen O'Brien, Adam W. Hauser, Greg S. O'Brien, Roger H. French, Micheal D. Kempe, Jared Tracy, Kausik R. Choudhury, William J. Gambogi, Laura S. Bruckman, Kenneth P. Boyce, "Spatio-Temporal Modeling of Field Surveyed Backsheet Degradation", 2021 IEEE 48th Photovoltaic Specialists Conference (PVSC), 2021, doi:10.1109/PVSC43889.2021.9519128.

11. Andrew Lininger, Michael Hinczewski, Giuseppe Strangi, "General Inverse Design of Thin-Film Metamaterials With Convolutional Neural Networks", 2021, doi:10.48550/arXiv.2104.01952.

12. Mohammad Akram Hossain, Arash Khalilnejad, Rojiar Haddadian, Ethan M. Pickering, Roger H. French, Alexis R. Abramson, "Data analytics applied to the electricity consumption of office buildings to reveal building operational characteristics", Advances in Building Energy Research, 2021, doi:10.1080/17512549.2020.1730239.

13. Kevin Abbasi, Hugh Smith, Matthew Hoffman, Elahe Farghadany, Laura S. Bruckman, Alp Sehirlioglu, "Dimensional Stacking for Machine Learning in ToF‐SIMS Analysis of Heterostructures", Adv. Mater. Interfaces, 2021, doi:10.1002/admi.202001648.

14. Kihwan Kim, Yuning Gu, Charlie Y. Wang, Bryan Clifford, Sherry Huang, Zhi‐Pei Liang, Xin Yu, "Quantification of creatine kinase reaction rate in mouse hindlimb using phosphorus‐31 magnetic resonance spectroscopic fingerprinting", NMR in Biomedicine, 2021, doi:10.1002/nbm.4435.

15. Ruipeng Wei,, Ying Ni,, Peter Bazeley,, Sneha Grandhi,, Janet Wang,, Samuel T. Li,, Stanley L. Hazen,, W. H. Wilson Tang,, Thomas LaFramboise,, "Mitochondrial DNA Content Is Linked to Cardiovascular Disease Patient Phenotypes", JAHA, 2021, doi:10.1161/JAHA.120.018776.

16. Naomi Joseph, Beth Ann Benetz, Harry Menegay, Silke Oellerich, Lamis Baydoun, Gerrit Melles, Jonathan Lass, David L. Wilson, "Early detection of at-risk keratoplasties and prediction of future corneal graft rejection from pre-diagnosis endothelial cell images", Medical Imaging 2021: Computer-Aided Diagnosis, 2021, doi:10.1117/12.2582171.

17. Chi Tian, Stefano Anselmi, Matthew F. Carney, John T. Giblin, James Mertens, Glenn Starkman, "Question of measuring spatial curvature in an inhomogeneous universe", Phys. Rev. D, 2021, doi:10.1103/PhysRevD.103.083513.

18. Vivek Pandey, João M. Maia, "Extension‐dominated improved dispersive mixing in single‐screw extrusion. Part 1: Computational and experimental validation", J Appl Polym Sci, 2021, doi:10.1002/app.49716.

19. Richard W. Helms, Ahmed Tahseen Minhaz, David L. Wilson, Faruk H. Örge, "Clinical 3D Imaging of the Anterior Segment With Ultrasound Biomicroscopy", Trans. Vis. Sci. Tech., 2021, doi:10.1167/tvst.10.3.11.

20. Andrea R. Waksmunski, Yeunjoo E. Song, Tyler G. Kinzy, Reneé A. Laux, Jane Sewell, Denise Fuzzell, Sarada Fuzzell, Sherri Miller, Janey L. Wiggs, Louis R. Pasquale, Jonathan M. Skarie, Jonathan L. Haines, Jessica N. Cooke Bailey, "The GGLEAM Study: Understanding Glaucoma in the Ohio Amish", IJERPH, 2021, doi:10.3390/ijerph18041551.

21. F. Ji, M. S. McMaster, S. Schwab, G. Singh, L. N. Smith, S. Adhikari, M. O’Dwyer, F. Sayed, A. Ingrisano, D. Yoder, E. S. Bolman, I. T. Martin, M. Hinczewski, K. D. Singer, "Discerning the painter’s hand: machine learning on surface topography", Herit Sci, 2021, doi:10.1186/s40494-021-00618-w.

22. Ammar Hoori, Tao Hu, Juhwan Lee, Sadeer Al-Kindi, Sanjay Rajagopalan, David L. Wilson, "DeepFat: Deep Learning Segmentation and Quantification Method for Assessing Epicardial Adipose Tissue in CT Calcium Score Scans", 2021, doi:10.21203/rs.3.rs-850692/v1.

23. Yiqiao Liu, Madhusudhana Gargesha, Mohammed Qutaish, Zhuxian Zhou, Peter Qiao, Zheng-Rong Lu, David L. Wilson, "Quantitative analysis of metastatic breast cancer in mice using deep learning on cryo-image data", Sci Rep, 2021, doi:10.1038/s41598-021-96838-y.

24. Zongyue Fan, Hao Wang, Zhida Huang, Huming Liao, Jiang Fan, Jian Lu, Chong Liu, Bo Li, "A Lagrangian meshfree mesoscale simulation of powder bed fusion additive manufacturing of metals", Int J Numer Methods Eng, 2021, doi:10.1002/nme.6546.

25. Luis A. Ortiz-Rodríguez, Sean J. Hoehn, Chris Acquah, Nadia Abbass, Lidia Waidmann, Carlos E. Crespo-Hernández, "Femtosecond intersystem crossing to the reactive triplet state of the 2,6-dithiopurine skin cancer photosensitizer", Phys. Chem. Chem. Phys., 2021, doi:10.1039/D1CP04415J.

26. Arash Khalilnejad, Roger H. French, Alexis R. Abramson, "Evaluation of cooling setpoint setback savings in commercial buildings using electricity and exterior temperature time series data", Energy, 2021, doi:10.1016/J.ENERGY.2021.121117.

27. Erika I. Barcelos, Shaghayegh Khani, Arman Boromand, Luiz F. Vieira, J. Alex Lee, Jeffrey Peet, Mônica F. Naccache, Joao Maia, "Controlling particle penetration and depletion at the wall using Dissipative Particle Dynamics", Computer Physics Communications, 2021, doi:10.1016/J.CPC.2020.107618.

28. L. C. Stetson, Dheepa Balasubramanian, Susan Pereira Ribeiro, Tammy Stefan, Kalpana Gupta, Xuan Xu, Slim Fourati, Anne Roe, Zachary Jackson, Robert Schauner, Ashish Sharma, Banumathi Tamilselvan, Samuel Li, Marcos de Lima, Tae Hyun Hwang, Robert Balderas, Yogen Saunthararajah, Jaroslaw Maciejewski, Thomas LaFramboise, Jill S. Barnholtz-Sloan, Rafick-Pierre Sekaly, David N. Wald, "Single cell RNA sequencing of AML initiating cells reveals RNA-based evolution during disease progression", Leukemia, 2021, doi:10.1038/s41375-021-01338-7.

29. Pengfei Dong, Hozhabr Mozafari, Juhwan Lee, Yazan Gharaibeh, Vladislav N. Zimin, Luis A.P. Dallan, Hiram G. Bezerra, David L. Wilson, Linxia Gu, "Mechanical performances of balloon post-dilation for improving stent expansion in calcified coronary artery: Computational and experimental investigations", Journal of the Mechanical Behavior of Biomedical Materials, 2021, doi:10.1016/j.jmbbm.2021.104609.

30. Jayvic C. Jimenez, Zehao Zhou, Arnold L. Rheingold, Shane M. Parker, Geneviève Sauvé, "Tuning the Properties of Azadipyrromethene-Based Near-Infrared Dyes Using Intramolecular BO Chelation and Peripheral Substitutions", Inorg. Chem., 2021, doi:10.1021/acs.inorgchem.1c01597.

31. Kimberly A. Parker, Alex J. Gooding, Saba Valadkhan, William P. Schiemann, "lncRNA BORG:TRIM28 Complexes Drive Metastatic Progression by Inducing α6 Integrin/CD49f Expression in Breast Cancer Stem Cells", Molecular Cancer Research, 2021, doi:10.1158/1541-7786.MCR-21-0137.

32. Felipe L. Paiva, Argimiro R. Secchi, Verônica Calado, João Maia, Shaghayegh Khani, "Shear Flow and Relaxation Behaviors of Entangled Viscoelastic Nanorod-Stabilized Immiscible Polymer Blends", Macromolecules, 2021, doi:10.1021/acs.macromol.1c00030.

33. Santosh Kumar Radha, Walter R. L. Lambrecht, Brian Cunningham, Myrta Grüning, Dimitar Pashov, Mark van Schilfgaarde, "Optical response and band structure of LiCoO2 including electron-hole interaction effects", Phys. Rev. B, 2021, doi:10.1103/PhysRevB.104.115120.

34. Davis T. Weaver, Kathleen I. Pishas, Drew Williamson, Jessica Scarborough, Stephen L. Lessnick, Andrew Dhawan, Jacob G. Scott, "Network potential identifies therapeutic miRNA cocktails in Ewing sarcoma", PLoS Comput Biol, 2021, doi:10.1371/journal.pcbi.1008755.

35. Zehao Zhou, Shane M. Parker, "Accelerating molecular property calculations with semiempirical preconditioning", J. Chem. Phys., 2021, doi:10.1063/5.0071013.

36. Carolyn A. Miller, Michael J. A. Hore, "Simulation of the Coronal Dynamics of Polymer-Grafted Nanoparticles", ACS Polym. Au, 2021, doi:10.1021/acspolymersau.1c00031.

37. Bryan Howell, Faical Isbaine, Jon T. Willie, Enrico Opri, Robert E. Gross, Coralie De Hemptinne, Philip A. Starr, Cameron C. McIntyre, Svjetlana Miocinovic, "Image-based biophysical modeling predicts cortical potentials evoked with subthalamic deep brain stimulation", Brain Stimulation, 2021, doi:10.1016/j.brs.2021.03.009.

38. Neel Patel, William S. Bush, "Modeling transcriptional regulation using gene regulatory networks based on multi-omics data sources", BMC Bioinformatics, 2021, doi:10.1186/s12859-021-04126-3.

39. Catherine M Stein, Penelope Benchek, Jacquelaine Bartlett, Robert P Igo, Rafal S Sobota, Keith Chervenak, Harriet Mayanja-Kizza, C Fordham von Reyn, Timothy Lahey, William S Bush, W Henry Boom, William K Scott, Carmen Marsit, Giorgio Sirugo, Scott M Williams, "Methylome-wide Analysis Reveals Epigenetic Marks Associated With Resistance to Tuberculosis in Human Immunodeficiency Virus–Infected Individuals From East Africa", The Journal of Infectious Diseases, 2021, doi:10.1093/infdis/jiaa785.

40. Wanda Strychalski, "3D Computational Modeling of Bleb Initiation Dynamics", Front. Phys., 2021, doi:10.3389/fphy.2021.775465.

41. Penelope Benchek, Robert P. Igo, Heather Voss-Hoynes, Yvonne Wren, Gabrielle Miller, Barbara Truitt, Wen Zhang, Michael Osterman, Lisa Freebairn, Jessica Tag, H. Gerry Taylor, E. Ricky Chan, Panos Roussos, Barbara Lewis, Catherine M. Stein, Sudha K. Iyengar, "Association between genes regulating neural pathways for quantitative traits of speech and language disorders", npj Genom. Med., 2021, doi:10.1038/s41525-021-00225-5.

42. Kimberly Gliebe, Alp Sehirlioglu, "Distinct thin film growth characteristics determined through comparative dimension reduction techniques", Journal of Applied Physics, 2021, doi:10.1063/5.0059655.

43. Hao Jiang, Valerie Scott, Bo Li, "Modeling and simulations of high and hypervelocity impact of small ice particles", International Journal of Impact Engineering, 2021, doi:10.1016/J.IJIMPENG.2021.103906.

44. Santosh Kumar Radha, Walter R. L. Lambrecht, "Spin-polarized two-dimensional electron/hole gases on LiCoO2 layers.", SciPost Phys., 2021, doi:10.21468/SciPostPhys.10.3.057.

45. Drace Penley, Stephen P. Vicchio, Rachel B. Getman, Burcu Gurkan, "Energetics of Li+ Coordination with Asymmetric Anions in Ionic Liquids by Density Functional Theory", Front. Energy Res., 2021, doi:10.3389/fenrg.2021.725010.

46. Krystelle Nganou-Makamdop, Aarthi Talla, Ashish Arunkumar Sharma, Sam Darko, Amy Ransier, Farida Laboune, Jeffrey G. Chipman, Gregory J. Beilman, Torfi Hoskuldsson, Slim Fourati, Thomas E. Schmidt, Sahaana Arumugam, Noemia S. Lima, Damee Moon, Samuel Callisto, Jordan Schoephoerster, Jeffery Tomalka, Peter Mugyenyi, Francis Ssali, Proscovia Muloma, Patrick Ssengendo, Ana R. Leda, Ryan K. Cheu, Jacob K. Flynn, Antigoni Morou, Elsa Brunet-Ratnasingham, Benigno Rodriguez, Michael M. Lederman, Daniel E. Kaufmann, Nichole R. Klatt, Cissy Kityo, Jason M. Brenchley, Timothy W. Schacker, Rafick P. Sekaly, Daniel C. Douek, "Translocated microbiome composition determines immunological outcome in treated HIV infection", Cell, 2021, doi:10.1016/j.cell.2021.05.023.

47. Amol Ratnaparkhe, Santosh Kumar Radha, Walter R. L. Lambrecht, "Calculated phonon modes, infrared and Raman spectra in orthorhombic α − MoO3 and monolayer MoO3", Journal of Applied Physics, 2021, doi:10.1063/5.0060718.

48. Jessica A. Scarborough, Steven A. Eschrich, Javier Torres-Roca, Andrew Dhawan, Jacob G. Scott, "Exploiting convergent evolution to derive a pan-cancer cisplatin response gene expression signature", 2021, doi:10.1101/2021.11.10.21265799.

49. Sarah E. Krul, Sean J. Hoehn, Karl J. Feierabend, Carlos E. Crespo-Hernández, "Excited state dynamics of 7-deazaguanosine and guanosine 5′-monophosphate", J. Chem. Phys., 2021, doi:10.1063/5.0038123.

50. Jessica A. Scarborough, Steven A. Eschrich, Javier Torres-Roca, Andrew Dhawan, Jacob G. Scott, "Exploiting convergent evolution to derive a pan-cancer cisplatin response gene expression signature", 2021, doi:10.1101/2021.11.10.21265799.

51. Fengchun Ye, David Alvarez-Carbonell, Kien Nguyen, Saba Valadkhan, Konstantin Leskov, Yoelvis Garcia-Mesa, Sheetal Sreeram, Jonathan Karn, "The Nerve Growth Factor IB-like Receptor Nurr1 (NR4A2) Recruits CoREST Transcription Repressor Complexes to Silence HIV Following Proviral Reactivation in Microglial Cells", 2021, doi:10.1101/2021.11.16.468784.

52. Qiang Xiao, Aliou Sow, Brian M. Maxwell, Matei I. Radulescu, "Effect of boundary layer losses on 2D detonation cellular structures", Proceedings of the Combustion Institute, 2021, doi:10.1016/j.proci.2020.07.068.

53. J. Melguizo-Gavilanes, M. Peswani, B.M. Maxwell, "Detonation-diffuse interface interactions: failure, re-initiation and propagation limits", Proceedings of the Combustion Institute, 2021, doi:10.1016/j.proci.2020.07.143.

54. Santosh Kumar Radha, Walter R. L. Lambrecht, "Topological obstructed atomic limit insulators by annihilating Dirac fermions", Phys. Rev. B, 2021, doi:10.1103/PhysRevB.103.075435.

55. Corey C. Emerson, Phoebe L. Stewart, "Structure-Based Modeling of Complement C4 Mediated Neutralization of Adenovirus", Viruses, 2021, doi:10.3390/v13010111.

56. Halyna Volkova, Kevin Pachuta, Kyle Crowley, Santosh Kumar Radha, Emily Pentzer, Xuan P. A. Gao, Walter R. L. Lambrecht, Alp Sehirlioglu, Marie-Hélène Berger, "Electron microscopy and spectroscopic study of structural changes, electronic properties, and conductivity in annealed LixCoO2", Phys. Rev. Materials, 2021, doi:10.1103/PhysRevMaterials.5.015401.

57. Santosh Kumar Radha, Amol Ratnaparkhe, Walter R. L. Lambrecht, "Quasiparticle self-consistent GW band structures and high-pressure phase transitions of LiGaO2 and NaGaO2", Phys. Rev. B, 2021, doi:10.1103/PhysRevB.103.045201.

58. Vijay Kumar, Snigdha A. Mathure, Mijoon Lee, Jacob Boorman, Ximin Zeng, Jun Lin, Dusan Hesek, Elena Lastochkin, Shahriar Mobashery, Focco van den Akker, "Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni", Biochemistry, 2021, doi:10.1021/acs.biochem.1c00027.