• Mass Spectrometry Letters
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• v.6 no.1
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• pp.17-20
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• 2015

Sesamin, one of the lignans in sesame seed, was a labile compound in MS and it was reported that the protonated molecule of sesamin decomposed easily in ES ionization process and it cannot be detected (G. Yan, et al., Rapid Commun Mass Spectrom. 2007, 21, 3613-3620). To protect labile compounds, an amino-cyclodextrin (NCyD) was added to the sample to promote the host-guest interaction complex in ESI-MS. As a result, sesamin was ionized as the NCyD-sesamin-NCyD (1:2) complex without undesired decomposition, suggesting that the amino-CyDs assist the ionization of the labile molecules capped with CyDs by host-guest interaction and these compounds were ionized without their decomposition, those are like amino-CyD complex-assisted ionization. The amino-CyD complexes of sesamin and sesamolin were also analyzed by their ion-mobility MS.

• 한국신재생에너지학회:학술대회논문집
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• 2011.05a
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• pp.150.2-150.2
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• 2011

Unlike non-ionic clathrate hydrates stably formed by van der Waals interaction between a guest molecule and a surrounding host framework, ionic clathrate hydrates are stabilized by ionic interaction between an ionic guest molecule and the host water-framework. Here, we firstly described the stable entrapment of the superoxide ions in ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate. Owing to peculiar direct guest-guest ionic interaction, the lattice structure of ${\gamma}$-irradiated $Me_4NOH+O_2$ hydrate shows significant change of lattice contraction behavior even at relatively high temperature(120K). Particularly, we note that ionic-induced dimensional change is much greater than thermal-induced change. Such findings are expected to provide useful information for a better understanding of unrevealed nature of clathrate hydrate fields.

• Bulletin of the Korean Chemical Society
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• v.31 no.3
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• pp.635-638
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• 2010

As a new strategy for the optimization of a chiral catalyst, the catalytic activity of the host-guest complexes of chiral bisphosphine bearing imidazolidinone was investigated in Rh-catalyzed asymmetric hydrogenation of enamide. Marginal enhancement in enantioselectivity was observed and the nature of interaction between host-guest was experimentally elucidated.

• Journal of Powder Materials
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• v.27 no.6
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• pp.477-483
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• 2020

Metal-organic frameworks (MOFs) are of significant interest because of their high porosity, which facilitates their utilization in gas storage and catalysis. To enhance their current properties in these applications, it is necessary to elucidate the interactions between molecules in a confined environment that differ from those in bulk conditions. Herein, we study the confined molecular interaction by investigating the solvent-dependent photophysical properties of two different-sized molecules inside MOF-5. Ruthenium tris-bipyridine (Rubpy) and coumarin 153 (C153) are encapsulated in MOF-5. Rubpy with MOF-5 (Rubpy@MOF) is prepared by building MOF-5 around it, resulting in limited space for solvent molecules in the pores. The smaller C153 is encapsulated in the preformed MOF-5 (C153@MOF) by simply soaking the MOF in a concentrated C153 solution. C153@MOF permits more space for solvent molecules in the pore. Their characteristic absorption and emission spectra are examined to elucidate the confined molecular interactions. Rubpy@MOF and C153@MOF exhibit different spectral shifts compared to the guest molecules under bulk conditions. This discrepancy is attributed to the different micro-environments inside the pores, derived from confined host-guest interactions in the interplay of solvent molecules.

• Analytical Science and Technology
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• v.15 no.1
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• pp.31-35
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• 2002

A useful receptor for the sensing of ${CIO_4}^-$ species with remarkable selectivity has been developed. The hypersensitive interaction between a host and a guest has been investigated for the complex $[Pd(Me_4en)(Py_2S){\cdot}2ClO_4]_4$ ($Me_4en$ = N,N,N',N'-tetramethylethylenediamine; $Py_2S$ = 4,4'-dipyridyl sulfide). The pyridyl moiety of $Py_2S$ exhibits two sets of $^1H$ resonances that are delicately dependent upon temperature, concentration, and media. The nonrigidity has been explained in terms of an electrostatic equilibrium between the tetrameric host and the ${CIO_4}^-$ guest. The equilibrium is a useful method for the detection of ${CIO_4}^-$ anion with remarkable selectivity via "a restricted guest within a big host" in aqueous solution.

• Mass Spectrometry Letters
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• v.7 no.1
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• pp.16-20
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• 2016

Characterization of intact protein structures in the gas phase using electrospray ionization combined with ion mobility mass spectrometry has become an important tool of research. However, the biophysical properties that govern the structures of protein ions in the gas phase remain to be understood. Here, we investigated the impact of host-guest complexation of ubiquitin (Ubq) with macrocyclic host molecules, cucurbit[n]urils (CB[n]s, n = 6, 7), on its structure in the gas phase. We found that CB[n] complexation induces the formation of compact Ubq ions. Both CB[6] and CB[7] exhibited similar effects despite differences in their binding properties in solution. In addition, CB[n] attachment prevented Ubq from unfolding by collisional activation. Based on the experimental results, we suggest that CB[n]s prevent unfolding of Ubq during transfer to the gas phase to promote the formation of compact protein ions. Furthermore, interaction with positively charged residues per se is suggested to be the most important factor for the host-guest complexation effect.

• Bulletin of the Korean Chemical Society
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• v.17 no.10
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• pp.919-924
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• 1996

Crystal structure of two inclusion compounds Cd(pn)Ni(CN)4·0.25G (G=toluene and p-xylene, pn=1,2-diaminopropane) have been determined from single-crystal X-ray diffraction data; toluene clathrate: monoclinic P21/n, a=13.838(6), b=26.893(5), c= 7.543(5) Å, γ=90.92(3)°, Z=4, R=0.0616; p-xylene clathrate: monoclinic P21/n, a=13.895(2), b=26.900(3), c=7.613(1) Å, γ=91.06(1)°, Z=4, R=0.0486. The host structures determined for toluene- and pxylene-guest clathrates are substantially identical to the U-type structures observed for the straight chain aliphatic-guest clathrates. However, the alternating arrangement of occupied channels with the guest molecules and vacant channels appears in the host structure. The non-centrosymmetric toluene molecules are distributed about the inversion center to give an image like p-xylene molecule. The guests, toluene and p-xylene, prefer the U-type channel, favoring the interaction between the π-electrons of the aromatic ring and the pn-amino groups to hold the aromatic ring vertical to the cyanometallate meshes.

• Bulletin of the Korean Chemical Society
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• v.31 no.2
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• pp.442-446
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• 2010

Adenosine 3',5'-cyclic monophosphate (cAMP) is a second messenger responsible for a multitude of cellular responses. In this study, we utilized $\beta$-cyclodextrin ($\beta$-CD) as an artificial receptor with a hydrophobic cavity to elucidate the inclusion kinetics of cAMP in a hydrophobic environment using the ultrasonic relaxation method. The results revealed that the interaction of cAMP with $\beta$-CD followed a single relaxation curve as a result of host-guest interactions. The inclusion of cAMP into the $\beta$-CD cavity was found to be a diffusion-controlled reaction. The dissociation of cAMP from the $\beta$-CD cavity was slower than that of adenosine 5'-monophosphate (AMP). The syn and anti glycosyl conformations of adenine nucleotides are considered to play an important role in formation of the inclusion complex. Taken together, our findings indicate that hydrophobic interactions are involved in the inclusion complex formation of cAMP with $\beta$-CD and provide insight into the interactions of cAMP with cAMP-binding proteins.

• Journal of Microbiology and Biotechnology
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• v.11 no.3
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• pp.463-468
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• 2001

Cyclosophoraoses are a class of unbranced cyclic-(1longrightarrow2)-${\beta}$-D-glucans found in the Rhizobium species. Their unique cyclic structures and high solubility make them potent for inclusion complexation as a host for an insoluble guest molecule. A family of neutral cyclosophoraoses (DP 17-27) isolated from Rhizobium meliloti 2011 was used as a host for inclusion complexation with an insoluble guest drug, indomethacin. A high performance liquid chromatographic analysis indicated that the inclusion complexation of cyclosophoraoses greatly ehanced the solubility of indomethacin compared with ${\beta}$-cyclodextrin. The estimated value of the association constant of the complex in water for $\beta$-cyclodextrin and cyclosophoraoses was $523M^{-1} and 17,570M^{-1}$, respectively. NMR spectroscopy showed that the inclusion complex was characterized by the interaction of the indole ring moiety of indomethacin with the cavity of cyclosophoraoses.

• Bulletin of the Korean Chemical Society
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• v.21 no.11
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• pp.1119-1124
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• 2000

$\beta-Cyclodextrin$ derivatives connected with diaza-18-crown-6 through flexible bridges (R) at the secondary face 1a-c (1a: R = $-(CH_2)4-;$ 1b: R = $-CH_2CH_2OCH_2CH2-;$ 1c: R = $-(CH_2)8-)$ have been prepared. The associa tion constants of 1 with (2-naphthoxy)alkylammonium ions (2a: alkyl = butyl; 2b: alkyl = octyl) were determined by induced circular dichroism (ICD) spectroscopy and it was found that the derivatization of $\beta-CD$ with the diazacrown resulted in enhanced binding with 2, compared to the native $\beta-CD.$ ICD Characteristics of the host-guest complexes indicate that a part of the alkylammonium moiety of 2 is protruded from the secondary side of the $\beta-CD$ cavity, and the guest molecules 2a and 2b move to the secondary and primary side, respectively, to make the binding of the ammonium group with the diaza-18-crown-6 moiety more feasible. The energy accompanied by the relocation of the guest molecules inside $\beta-CD$ moiety is compensated by the interaction energy between the ammonium ion and diazacrown ether.