10 Works

Robust and distributed neural representation of action values

Eunju Shin, YunSil Jang, Soyoun Kim, Hoseok Kim, Xinying Cai, Hyunjung Lee, Jung Hoon Sul, Sung-Hyun Lee, Yeonseung Chung, Daeyeol Lee & Min Whan Jung
Studies in rats, monkeys, and humans have found action-value signals in multiple regions of the brain. These findings suggest that action-value signals encoded in these brain structures bias choices toward higher expected rewards. However, previous estimates of action-value signals might have been inflated by serial correlations in neural activity and also by activity related to other decision variables. Here, we applied several statistical tests based on permutation and surrogate data to analyze neural activity recorded...

Deciphering the Specific High-Affinity Binding of Cucurbit[7]uril to Amino Acids in Water

Jong Wha Lee, Hyun Hee L. Lee, Young Ho Ko, Kimoon Kim & Hugh I. Kim
This work presents a systematic study on the host–guest interactions between the macrocyclic host molecule cucurbit[7]uril (CB[7]) and amino acids (AAs) including three basic AAs (Lys, Arg, and His) and three aromatic AAs (Phe, Tyr, and Trp) to elucidate the origin of the high selectivity of CB[7] toward AA residues in proteins. Complex formation between CB[7] and each AA was examined in solution (by isothermal titration calorimetry and NMR) as well as in the gas...

Complexation Thermodynamics of Cucurbit[6]uril with Aliphatic Alcohols, Amines, and Diamines

Mikhail V. Rekharsky, Yoshihisa Inoue, Kimoon Kim, Young Ho Ko & N. Selvapalam
(2007). Complexation Thermodynamics of Cucurbit[6]uril with Aliphatic Alcohols, Amines, and Diamines. Supramolecular Chemistry: Vol. 19, No. 1-2, pp. 39-46.

Complexation of Ferrocene Derivatives by the Cucurbit[7]uril Host:  A Comparative Study of the Cucurbituril and Cyclodextrin Host Families

Angel E. Kaifer, Vladimir Sindelar, Mikhail V. Rekharsky, Yoshihisa Inoue, Kimoon Kim, Young Ho Ko, N. Selvapalam, Woo Sung Jeon, Kwangyul Moon, Sang Hyun Park, Hyungpil Chun, Jin Yong Lee, Eun Sung Lee, S. Samal & David Sobransingh
The formation of inclusion complexes between cucurbit[7]uril (CB[7]) and ferrocene and its derivatives has been investigated. The X-ray crystal structure of the 1:1 inclusion complex between ferrocene and CB[7] revealed that the guest molecule resides in the host cavity with two different orientations. Inclusion of a set of five water-soluble ferrocene derivatives in CB[7] was investigated by 1H NMR spectroscopy and calorimetric and voltammetric techniques. Our data indicate that all neutral and cationic guests form...

Guest Binding Dynamics with Cucurbit[7]uril in the Presence of Cations

Kimoon Kim, Hao Tang, Cornelia Bohne, Young Ho Ko, Denis Fuentealba & Narayanan Selvapalam
The binding dynamics of R-(+)-2-naphthyl-1-ethylammonium cation (NpH+) with cucurbit[7]uril (CB[7]) was investigated. Competitive binding with Na+ or H3O+ cations enabled the reaction to be slowed down sufficiently for the kinetics to be studied by fluorescence stopped-flow experiments. The binding of two Na+ cations to CB[7], i.e., CB[7]·Na+ (K01 = 130 ± 10 M–1) and Na+·CB[7]·Na+ (K02 = 21 ± 2 M–1), was derived from the analysis of binding isotherms and the kinetic studies. NpH+ binds...

Water soluble cucurbit[6]uril derivative as a potential Xe carrier for 129Xe NMR-based biosensors

Byoung Soo Kim, Young Ho Ko, Youngkook Kim, Hyeong Ju Lee, N. Selvapalam, Hee Cheon Lee & Kimoon Kim
The water soluble cucurbit[6]uril derivative CB*[6] forms a thermodynamically and kinetically stable host–guest complex with xenon in water, the binding affinity of which is about 3 × 103 M−1, comparable to those of cryptophanes, suggesting that it may serve as an effective molecular “carrier” for 129Xe NMR-

Benzobis(imidazolium)-Cucurbit[8]uril Complexes for Binding and Sensing Aromatic Compounds in Aqueous Solution

Frank Biedermann, Urs Rauwald, Monika Cziferszky, Kyle A. Williams, Lauren D. Gann, Bi Y. Guo, Adam R. Urbach, Christopher W. Bielawski & Oren A. Scherman
Abstract The utilities of benzobis(imidazolium) salts (BBIs) as stable and fluorescent components of supramolecular assemblies involving the macrocyclic host, cucurbit[8]uril (CB[8]), are described...

Molecular Recognition of Methionine-Terminated Peptides by Cucurbit[8]uril

Zoheb Hirani, Hailey F. Taylor, Emily F. Babcock, Andrew T. Bockus, C. Daniel Varnado, Christopher W. Bielawski & Adam Urbach
This Article describes the molecular recognition of peptides containing an N-terminal methionine (Met) by the synthetic receptor cucurbit[8]uril (Q8) in aqueous solution and with submicromolar affinity. Prior work established that Q8 binds with high affinity to peptides containing aromatic amino acids, either by simultaneous binding of two aromatic residues, one from each of two different peptides, or by simultaneous binding of an aromatic residue and its immediate neighbor on the same peptide. The additional binding...

U-Shaped Conformation of Alkyl Chains Bound to a Synthetic Receptor Cucurbit[8]uril

Young Ho Ko, Youngkook Kim, Hyunuk Kim & Kimoon Kim
This guest is bent on fitting in: Alkyltrimethylammonium and cucurbit[8]uril (CB[8]) form 1:1 hostâguest complexes with a high binding constant (Kâ106âmâ1). A short hexyl chain can be fully encapsula...

New Ultrahigh Affinity Host−Guest Complexes of Cucurbit[7]uril with Bicyclo[2.2.2]octane and Adamantane Guests: Thermodynamic Analysis and Evaluation of M2 Affinity Calculations

Sarvin Moghaddam, Cheng Yang, Mikhail Rekharsky, Young Ho Ko, Kimoon Kim, Yoshihisa Inoue & Michael K. Gilson
A dicationic ferrocene derivative has previously been shown to bind cucurbit[7]uril (CB[7]) in water with ultrahigh affinity (ΔGo = −21 kcal/mol). Here, we describe new compounds that bind aqueous CB[7] equally well, validating our prior suggestion that they, too, would be ultrahigh affinity CB[7] guests. The present guests, which are based upon either a bicyclo[2.2.2]octane or adamantane core, have no metal atoms, so these results also confirm that the remarkably high affinities of the ferrocene-based...

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  • Institute for Basic Science
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  • Department of Physical and Technical Sciences
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  • Institute of Nanotechnology
  • New York University Shanghai