Publications by authors named "Eric Simanek"

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A Competing Hydrogen Bond Network Offers Access to a New Conformation in 24-Atom Triazine Macrocycles.
K Harsha Vardan Reddy, Arshad Mehmood, Akop Yepremyan, Eric E Simanek

Molecules· November 2025

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Designing Macrocycles to Adopt Persistent, Isoenergetic Conformations.
Liam E Claton, Gretel A Stokes, Annie L Downum, Eric E Simanek

J Org Chem· October 2025

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Triazine Macrocycle Libraries: Synthesis, logD Prediction, and a Surprisingly Hydrophobic, Membrane-Permeable Diamine.
Gretel A Stokes, Casey J Patterson-Gardner, Alexander M Engstrom, Alexander J Menke, K Harsha Vardhan Reddy, Eric E Simanek

ACS Med Chem Lett· June 2025

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Choreoisosteres: Pseudoatom Variation in Macrocyclic Hinges Conserves Structure and Dynamics.
Alexander J Menke, Joseph H Reibenspies, Casey J Patterson-Gardner, Alexander M Engstrom, R Scott Lokey, Eric E Simanek

ACS Phys Chem Au· March 2025

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Conservation of structure and dynamic behavior in triazine macrocycles with opportunities for subtle control of hinge motion.
Casey Patterson-Gardner, Hongjun Pan, Benjamin G Janesko, Eric E Simanek

Org Biomol Chem· January 2025

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Installation of an Indole on the BRCA1 Disordered Domain Using Triazine Chemistry.
Liam E Claton, Chrissy Baker, Hayes Martin, Sergei V Dzyuba, Khadiza Zaman, Eric E Simanek

Biomolecules· December 2024

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Impact of Solvent and Protonation State on Rotational Barriers in [s]-Triazines.
Liam E Claton, Hongjun Pan, Eric E Simanek

J Org Chem· April 2024

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Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH.
Alexander J Menke, Zachary P Jacobus, Liam E Claton, Onofrio Annunziata, Riccardo Capelli, Eric E Simanek

J Org Chem· February 2024

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Adaptation of Empirical Methods to Predict the LogD of Triazine Macrocycles.
Casey J Patterson-Gardner, Gretchen M Pavelich, April T Cannon, Alexander J Menke, Eric E Simanek

ACS Med Chem Lett· October 2023

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Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges.
Alexander J Menke, Joseph M Mellberg, Hongjun Pan, Joseph H Reibenspies, Benjamin G Janesko, Eric E Simanek

Chemistry· August 2023

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A Model for the Rapid Assessment of Solution Structures for 24-Atom Macrocycles: The Impact of β-Branched Amino Acids on Conformation.
Alexander J Menke, Camryn J Gloor, Liam E Claton, Magy A Mekhail, Hongjun Pan, Eric E Simanek

J Org Chem· March 2023

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Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles.
Alexander J Menke, Nicholas C Henderson, Lola C Kouretas, Anne N Estenson, Benjamin G Janesko, Eric E Simanek

Molecules· January 2023

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Click Chemistry of Melamine Dendrimers: Comparison of "Click-and-Grow" and "Grow-Then-Click" Strategies Using a Divergent Route to Diversity.
Sanami Numai, Risako Yoto, Masataka Kimura, Eric E Simanek, Yoshikazu Kitano

Molecules· December 2022

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Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution.
Riccardo Capelli, Alexander J Menke, Hongjun Pan, Benjamin G Janesko, Eric E Simanek

ACS Omega· August 2022

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Two Decades of Triazine Dendrimers.
Eric E Simanek

Molecules· August 2021

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Efficient syntheses of macrocycles ranging from 22-28 atoms through spontaneous dimerization to yield bis-hydrazones.
Vishal R Sharma, Arshad Mehmood, Benjamin G Janesko, Eric E Simanek

RSC Adv· January 2020

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Tumor Uptake of Triazine Dendrimers Decorated with Four, Sixteen, and Sixty-Four PSMA-Targeted Ligands: Passive versus Active Tumor Targeting.
Jongdoo Lim, Bing Guan, Kien Nham, Guiyang Hao, Xiankai Sun, Eric E Simanek

Biomolecules· August 2019

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Nanoparticle physicochemical properties determine the activation of intracellular complement.
Anna N Ilinskaya, Ankit Shah, Alan E Enciso, King C Chan, Jan A Kaczmarczyk, Eric E Simanek

Nanomedicine· April 2019

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Synthesis of Macrocycles Derived from Substituted Triazines.
Akop Yepremyan, Arshad Mehmood, Parham Asgari, Benjamin G Janesko, Eric E Simanek

Chembiochem· January 2019

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A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.
Akop Yepremyan, Arshad Mehmood, Samantha Brewer, Madalyn M Barnett, Benjamin G Janesko, Eric E Simanek

RSC Adv· January 2018

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Correction: Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles.
Alan E Enciso, Giovanni Doni, Riccardo Nifosì, Ferruccio Palazzesi, Roberto Gonzalez, Eric E Simanek

Nanoscale· August 2017

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Facile synthesis of stable, water soluble, dendron-coated gold nanoparticles.
Alan E Enciso, Giovanni Doni, Riccardo Nifosì, Ferruccio Palazzesi, Roberto Gonzalez, Eric E Simanek

Nanoscale· March 2017

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Thermoregulated Coacervation, Metal-Encapsulation and Nanoparticle Synthesis in Novel Triazine Dendrimers.
Fermín Ramírez-Crescencio, Alan E Enciso, Mirza Hasan, Viviana C P da Costa, Onofrio Annunziata, Eric E Simanek

Molecules· May 2016

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Functionalization of a Triazine Dendrimer Presenting Four Maleimides on the Periphery and a DOTA Group at the Core.
Changsuk Lee, Kun Ji, Eric E Simanek

Molecules· March 2016

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Nanoparticle Effects on Human Platelets in Vitro: A Comparison between PAMAM and Triazine Dendrimers.
Alan E Enciso, Barry Neun, Jamie Rodriguez, Amalendu P Ranjan, Marina A Dobrovolskaia, Eric E Simanek

Molecules· March 2016

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