• Title/Summary/Keyword: guest molecule

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Crystal Structure of the Three-Dimensional Metal Complex Inclusion Compound Clathrated Nitrobenzene Guest (Nitrobenzene을 guest로 포접한 3차원 금속착체 포접화합물의 결정구조)

  • Park, Ki-Min;Park, Sang-Yun;Lee, Uk;Iwamoto, Toschitake
    • Journal of the Korean Chemical Society
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    • v.40 no.7
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    • pp.509-514
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    • 1996
  • The three-dimensional metal complex inclusion compound $Cd(pn)Ni(CN)_4{\cdot}0.5NO_2C_6H_5$(pn: 1,2-diaminopropane=propylenediamine) crystallizes in the orthorhombic space group, $Pn2_1$a, (a=13.868(5), b=26.591(4), c=7.840(1)${\AA}$, V=2891(1)${\AA}^3$, Z=4), R=0.054 for 2800 independent reflections. The host structure of the inclusion compound appears the same one(T-type) of inclusion compound with branched aliphatic-guest molecule. The nitrobenzeneguest molecule attains the stable position in the nodal channel of T-type by placing the polar nitro group between the pn-amino groups at the node and the bulky aromatic ring in the antinodal zone of the channel. The substituted aromatic guest molecule is accommodated in the host structure of metal complex $Cd(pn)Ni(CN)_4$ with channel cavity.

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Lattice Contraction Behavior Occurring in Ionic Clathrate Hydrate (이온성 크러스레이트 하이드레이트의 격자 수축 거동)

  • Kwon, Minchul;Cha, Minjun;Shin, Kyuchul;Lee, Huen
    • 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.

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Molecular Separation of Dibromobenzene Isomers by using Selective Guest Inclusion of G2NDS Host Framework (G2NDS 호스트의 선택적 내포 현상을 이용한 Dibromobenzene 이성질체의 분자분리)

  • Kim, Jinsoo;Park, Jimin;Yi, Jongheop;Kim, Woo-Sik
    • Korean Chemical Engineering Research
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    • v.45 no.5
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    • pp.487-492
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    • 2007
  • Using the selective host-guest inclusion of $G_2$[naphthalene disulfonate], the structural isomers of 1,2-dibromobenzene and 1,3-dibromobenzene were separated. As such, 1,3-dibromobenzene was selectively included as guest into the host framework in mixture isomers over 30% fraction of 1,3- dibromobenzene ($X_{1,3-DBB}=0.3$) whereas 1,2-dibromobenzene as guest was selective to the inclusion below $X_{1,3-DBB}=0.3$. This was due to the selectivity of host framework toward the guest molecules playing a role of template to the host framework. From the powder pattern XRD of inclusion compounds crystallized in pure isomer and mixture solutions, the template roles of guest molecules to the host framework were confirmed. Using the DSC, it was found that the more energy was required to release 1,3-dibromobenzene of guest from the host framework than 1,2-dibromobenzene due to the higher thermal stability. The thermal stability of the $G_2NDS$-1,3-dibromobenzene inclusion compound was consistent with the high selectivity of 1,3- dibromobenzene to the host framework in broad range of fraction in the isomer mixture

A Study on the Inclusion Complexation of Octyldimethyl p-aminobengoate with \brta -Cyclodextrin$ (Octyldiinethyl p-aminobenzoate와 \brta -Cyclodextrin$의 포접화합물에 관한 연구)

  • Lee, Chang-Hak;So, Bu-Yeong;Kim, Yeong-Su
    • Journal of the Society of Cosmetic Scientists of Korea
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    • v.15 no.1
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    • pp.51-62
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    • 1989
  • Inclusion complex formation of octyldimethl p-aminobenzoate with $\beta$-cyclodextrin in aqueous solution and in the solid state was studied by the solubility method, spectroscopic(UV, FT-lR) and X -ray diffractometry. The solid complex of octyldimethy p-aminobenzoate with $\beta$-cyclodextrin was obtained in molar ratio of 1 : 2(guest/host). A spatial relationship between host and guest molecule was clearly reflected in the magnitude of the apparent stability constant (K') and in the stoichiometry of the inclusion complex. Furthermore, a typical type Bs phase-solubility diagram was obtained for octyldimethyl p-aminobenzoate and p -cyclodextrin in water at $25^{\circ}C$. The results indicated that the solubility of the guest molecule was higher by the formation of $\beta$-cyclodextrin inclusion complex.

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Study of Methane Storage through Structure Transition of Gas Hydrate (가스하이드레이트 구조 변형을 통한 메탄 저장에 관한 연구)

  • Lee, Ju-Dong;Lee, Man-Sig;Kim, Young-Seok
    • 한국신재생에너지학회:학술대회논문집
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    • 2006.11a
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    • pp.54-57
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    • 2006
  • Structure H formation experiments were conducted in a semi-batch stirred vessel using methane as the small guest substance and neohexane(NH), tert-butylmethylether(TBME) and methylcyclohexane(MCH) as the large molecule guest substance (LMGS). The results indicate that the rates of gas uptake and induction times are generally dependent on the magnitude of the driving force. When tert-butyl methyl ether is used as the LMGS rapid hydrate formation, much smaller induct ion time and rapid decomposition can be achieved. Liquid-liquid equilibrium (LLE) data for the above LMGS with water have been measured under atmospheric pressure at 275.5, 283.15K, and 298.15K. It was found that TBME is the most water soluble followed by NM and MCH. The solubility of water in the non-aqueous liquid was found to increase in the following order: MCH

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A Study on the Inclusion Complexation of Octyldimethyl p-aminobenzoate with ${\beta}-Cyclodextrin$ (Octyldimethl p-aminobenzoate 와 ${\beta}-Cyclodextrin$의 포접화합물(包接化合物)에 관(關)한 연구(硏究))

  • Lee, Chang-Hak;So, Boo-Young;Kim, Young-Soo
    • Journal of the Korean Applied Science and Technology
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    • v.6 no.1
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    • pp.59-66
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    • 1989
  • Inclusion complex formation of octyldimethyl p-aminobenzoate with ${\beta}-cyclodextrin$in aqueous solution and in the solid state was studied by the solubility method, spectroscopic (UV, FT-IR) and X-ray diffractornetry. The solid complex of octyldimethyl p-aminobenzoate with ${\beta}-cyclodextrin$ was obtained in molar ratio of 1:2 (guest/host). A spatial relationship between host and guest molecule was clearly reflected in the magnitude of the apparent stability constant (K') and in the stoichiometry of the inclusion complex. Furthermore, a typical type Bs phase-solubility diagram was obtained for octyldimethyl p-aminobenzoate and ${\beta}-cyclodextrin$ in water at $25^{\circ}C$. The results indicated that the solubility of the guest molecule was higher by the formation of ${\beta}-cyclodextrin$ inclusion complex.

Effect of Guest Molecules on Structure and Properties of Polymer/beta-Cyclodextrin Inclusion Compound Hybrid Films (고분자/베타-사이클로덱스트린 포접 화합물로 이루어진 고분자 혼성체 필름의 물성 및 구조에 미치는 게스트 분자의 영향)

  • Bae, Joonwon
    • Applied Chemistry for Engineering
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    • v.32 no.5
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    • pp.504-508
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    • 2021
  • In this study, the effect of molecular features of guest molecules on the structure, property, and formation of poly(vinyl alcohol) (PVA)/beta-cyclodextrin (bCD) inclusion compound hybrid films was investigated using three types of guest molecules such as hydroquinone (HQ), arbutin (AB), and tranexamic acid (TA). First, the successful formation of inclusion compounds between bCD and the guest molecules, and polymer/inclusion compound hybrid were proved using Raman spectroscopy. The effect of bCD-based inclusion compounds on the structure and property of PVA matrix composites containing inclusion compounds was also studied using X-ray diffraction (XRD) and thermal analyses such as differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). It was notable that the effect of TA to the crystalline structure of the PVA was significantly different from that of using other guest molecules including HQ and AB. It was also supported by a simple molecular simulation result. This article will be a good example for demonstrating the effect of molecular characteristics on the inclusion compound formation in polymer films, which can provide important information for relevant future research.

[ ${\beta}-cyclodextrin$ ] inclusion properties with guest molecules using hetero-bi-functional reactive dye

  • Kim, Byung-Soon;Kim, Young-Sung;Son, Young-A
    • Textile Coloration and Finishing
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    • v.19 no.2
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    • pp.32-35
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    • 2007
  • Cyclodextrin is a cyclic oligosaccharid material which shows an ability to incorporate organic guest molecules inside their cavity area. Thus, this ${\beta}-cyclodextrin$ treatment on fiber substrates may provide the changed surface characteristics of the substrates such as solubility, chemical reactivity and spectral property. In this context, the aim of this present work is to make a bridge connection using hetero-bi-functional reactive dye between fiber substrates and ${\beta}-cyclodextrin$. In addition, the corresponding Berberine inclusion behaviors into the inner cavity of ${\beta}-cyclodextrin$ was examined. The %exhaustion of Berberine inclusion as a guest molecule within the ${\beta}-cyclodextrin$ was measured using UV-Vis spectrophotometer. The findings showed that the %exhaustion of Berberine inclusion increased with increasing the prepared dye bridge compound and ${\beta}-cyclodextrin$ host material.

Amino-β-cyclodextrin Complex Assisted Ionization for Labile Sesamins and their Ion-mobility Separation in ESI Q-TOF MS

  • Sugahara, Kohtaro;Horikawa, Manabu;Yamagaki, Tohru
    • 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.