Search Results - "Watkins, Davita L."

In silico Design of Novel Histone Deacetylase 4 Inhibitors: Design Guidelines for Improved Binding Affinity by V Stoddard, Shana, Dodson, Kyra, Adams, Kamesha, L Watkins, Davita

“…Histone deacetylases (HDAC) are being targeted for a number of diseases such as cancer, inflammatory disease, and neurological disorders. Within this family of…”
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Molecular Engineering of Near Infrared Absorbing Thienopyrazine Double Donor Double Acceptor Organic Dyes for Dye-Sensitized Solar Cells by Cheema, Hammad, Peddapuram, Adithya, Adams, Rebecca E, McNamara, Louis, Hunt, Leigh Anna, Le, Ngoc, Watkins, Davita L, Hammer, Nathan I, Schmehl, Russell H, Delcamp, Jared H

“…The thienopyrazine (TPz) building block allows for NIR photon absorption in dye-sensitized solar cells (DSCs) when used as a π-bridge. We synthesized and…”
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Quantifying the Effects of Halogen Bonding by Haloaromatic Donors on the Acceptor Pyrimidine by Ellington, Thomas L., Reves, Peyton L., Simms, Briana L., Wilson, Jamey L., Watkins, Davita L., Tschumper, Gregory S., Hammer, Nathan I.

“…The effects of intermolecular interactions by a series of haloaromatic halogen bond donors on the normal modes and chemical shifts of the acceptor pyrimidine…”
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Design and synthesis of diazine-based panobinostat analogues for HDAC8 inhibition by Balasubramaniam, Sivaraman, Vijayan, Sajith, Goldman, Liam V, May, Xavier A, Dodson, Kyra, Adhikari, Sweta, Rivas, Fatima, Watkins, Davita L, Stoddard, Shana V

“…Guided by computational analysis, herein we report the design, synthesis and evaluation of four novel diazine-based histone deacetylase inhibitors (HDACis)…”
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Doxorubicin Loaded Magnesium Oxide Nanoflakes as pH Dependent Carriers for Simultaneous Treatment of Cancer and Hypomagnesemia by Ranathunge, Tharindu A, Karunaratne, D G G P, Rajapakse, R M G, Watkins, Davita L

“…Doxorubicin (DOX) is an anticancer drug commonly used in treating cancer; however, it has severe cytotoxicity effects. To overcome both the adverse effects of…”
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Heteroacene-Based Amphiphile as a Molecular Scaffold for Bioimaging Probes by Ranathunge, Tharindu A, Yaddehige, Mahesh Loku, Varma, Jordan H, Smith, Cameron, Nguyen, Jay, Owolabi, Iyanuoluwani, Kolodziejczyk, Wojciech, Hammer, Nathan I, Hill, Glake, Flynt, Alex, Watkins, Davita L

“…The challenges faced with current fluorescence imaging agents have motivated us to study two nanostructures based on a hydrophobic dye, 6 -pyrrolo[3,2- :4,5-…”
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A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors by Hardin, April E. S., Ellington, Thomas L., Nguyen, Suong T., Rheingold, Arnold L., Tschumper, Gregory S., Watkins, Davita L., Hammer, Nathan I.

“…Two new aromatic pyrimidine-based derivatives designed specifically for halogen bond directed self-assembly are investigated through a combination of…”
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Shortwave Infrared Absorptive and Emissive Pentamethine-Bridged Indolizine Cyanine Dyes by Ndaleh, David, Smith, Cameron, Loku Yaddehige, Mahesh, Shaik, Abdul Kalam, Watkins, Davita L, Hammer, Nathan I, Delcamp, Jared H

“…Shortwave infrared (SWIR)-emitting small molecules are desirable for biological imaging applications. In this study, four novel pentamethine indolizine cyanine…”
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Improved nanoformulation and bio-functionalization of linear-dendritic block copolymers with biocompatible ionic liquids by Hamadani, Christine M, Chandrasiri, Indika, Yaddehige, Mahesh Loku, Dasanayake, Gaya S, Owolabi, Iyanuoluwani, Flynt, Alex, Hossain, Mehjabeen, Liberman, Lucy, Lodge, Timothy P, Werfel, Thomas A, Watkins, Davita L, Tanner, Eden E L

“…Linear-dendritic block copolymers (LDBCs) have emerged as promising materials for drug delivery applications, with their hybrid structure exploiting…”
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Heteroacene-Based Polymer with Fast-Switching Visible–Near Infrared Electrochromic Behavior by Ranathunge, Tharindu A., Curiac, Christine, Green, Kevin A., Kolodziejczyk, Wojciech, Hill, Glake, Morgan, Sarah, Delcamp, Jared H., Watkins, Davita L.

“…The electrochromic properties and application of electronically conducting polymers (ECPs) (PTRPZ-EDOT) consisting of a 3,4-ethylenedioxythiophene (EDOT) and…”
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Biocompatible Glycopolymer-PLA Amphiphilic Hybrid Block Copolymers with Unique Self-Assembly, Uptake, and Degradation Properties by Green, Kevin A., Kulkarni, Anuja S., Jankoski, Penelope E., Newton, Thomas B., Derbigny, Blaine, Clemons, Tristan D., Watkins, Davita L., Morgan, Sarah E.

“…The self-assembly of Janus-type amphiphilic hybrid block copolymers composed of hydrophilic/hydrophobic layers has shown promise for drug encapsulation and…”
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Evaluating Donor Effects in Isoindigo-Based Small Molecular Fluorophores by Vijayan, Sajith M, Sparks, Nicholas, Roy, Juganta K, Smith, Cameron, Tate, Christopher, Hammer, Nathan I, Leszczynski, Jerzy, Watkins, Davita L

“…Small molecular organic fluorophores have garnered significant interest because of their indispensable use in fluorescence imaging (FI) and optoelectronic…”
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Effects of sulfonated side chains used in polysulfone based PEMs for VRFB separator by Gindt, Brandon P., Tang, Zhijiang, Watkins, Davita L., Abebe, Daniel G., Seo, Shizuka, Tuli, Sayema, Ghassemi, Hossein, Zawodzinski, Thomas A., Fujiwara, Tomoko

“…Polysulfone (PSU) –based Proton Exchange Membranes (PEMs) were synthesized in this paper from different pre-sulfonated monomers and evaluated for use in a…”
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Elucidating the Effects of Fluoro and Nitro Substituents on Halogen Bond Driven Assemblies of Pyridyl-Capped π‑Conjugated Molecules by Nguyen, Suong T, Rheingold, Arnold L, Tschumper, Gregory S, Watkins, Davita L

“…Among recent advances toward efficient semiconducting materials, rational design guidelines have emerged focusing on the synergy between various intermolecular…”
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SWIR emissive RosIndolizine dyes with nanoencapsulation in water soluble dendrimers by Chatterjee, Satadru, Meador, William E, Smith, Cameron, Chandrasiri, Indika, Zia, Mohammad Farid, Nguyen, Jay, Dorris, Austin, Flynt, Alex, Watkins, Davita L, Hammer, Nathan I, Delcamp, Jared H

“…Shortwave infrared (SWIR) emission has great potential for deep-tissue in vivo biological imaging with high resolution. In this article, the synthesis and…”
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Near-Infrared Fluorescent Thienothiadiazole Dyes with Large Stokes Shifts and High Photostability by Zhang, Yanbing, Autry, Shane A, McNamara, Louis E, Nguyen, Suong T, Le, Ngoc, Brogdon, Phillip, Watkins, Davita L, Hammer, Nathan I, Delcamp, Jared H

“…A series of near-infrared (NIR) organic emissive materials were synthesized and the photophysical properties analyzed. The donor–acceptor–donor materials were…”
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Characterization of Furan- and Thiophene-Containing Bispyridyl Oligomers via Spectroscopic, Electrochemical, and TD-DFT Methods by Steen, April E, Ellington, Thomas L, Nguyen, Suong T, Balasubramaniam, Sivaraman, Chandrasiri, Indika, Delcamp, Jared H, Tschumper, Gregory S, Hammer, Nathan I, Watkins, Davita L

“…The study of π-conjugated oligomers has garnered significant interest because of their use in organic optoelectronic devices, such as organic light-emitting…”
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Design of Potent Panobinostat Histone Deacetylase Inhibitor Derivatives: Molecular Considerations for Enhanced Isozyme Selectivity between HDAC2 and HDAC8 by Stoddard, Shana V., May, Xavier A., Rivas, Fatima, Dodson, Kyra, Vijayan, Sajith, Adhika, Swetha, Parker, Kordarius, Watkins, Davita L.

“…Histone Deacetylases (HDACs) are an important family of 18 isozymes, which are being pursued as drug targets for many types of disorders. HDAC2 and HDAC8 are…”
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Enhancement in Organic Photovoltaic Efficiency through the Synergistic Interplay of Molecular Donor Hydrogen Bonding and π-Stacking by Shewmon, Nathan T., Watkins, Davita L., Galindo, Johan F., Zerdan, Raghida Bou, Chen, Jihua, Keum, Jong, Roitberg, Adrian E., Xue, Jiangeng, Castellano, Ronald K.

“…For organic photovoltaic (OPV) cells based on the bulk heterojunction (BHJ) structure, it remains challenging to rationally control the degree of phase…”
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Systematic Experimental and Computational Studies of Substitution and Hybridization Effects in Solid-State Halogen Bonded Assemblies by Nguyen, Suong T, Ellington, Thomas L, Allen, Katelyn E, Gorden, John D, Rheingold, Arnold L, Tschumper, Gregory S, Hammer, Nathan I, Watkins, Davita L

“…A quantitative assessment of the substituent, hybridization, and crystal-packing effects on the electronic, structural, and vibrational properties of halogen…”
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