• Title/Summary/Keyword: Aqueous chemistry

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Computational Study on Protolytic Dissociation of HCl and HF in Aqueous Solution

  • Kim, Chang Kon;Park, Byung Ho;Sohn, Chang Kook;Yu, Yu Hee;Kim, Chan Kyung
    • Bulletin of the Korean Chemical Society
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    • 제35권4호
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    • pp.1029-1035
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    • 2014
  • The protolytic dissociation process of hydrochloric acid (HCl) and hydrofluoric acid (HF) is studied using the B3LYP and MP2 methods with the 6-311+G(d,p) basis set in the gas phase and in aqueous solution. To study the phenomena in detail, discrete and discrete/continuum models were applied by placing water molecules in various positions around the acid. The dissociation process was studied using the thermodynamic cycle involving the structures optimized both in the gas phase and in aqueous solution and was analyzed with two key energy factors, relaxation free energy (${\Delta}G_{Rex(g)}$) and solvation free energy (${\Delta}G_s$). Based on the results, we could understand the dissociation mechanism and wish to propose the best way to study acid dissociation process using the CPCM methodology in aqueous solution.

Aqueous Suspension of Basic Alumina: An Efficient Catalytic System for the Synthesis of Poly Functionalized Pyridines

  • Shinde, Pravin V.;Shingate, Bapurao B.;Shingare, Murlidhar S.
    • Bulletin of the Korean Chemical Society
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    • 제32권2호
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    • pp.459-462
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    • 2011
  • In the present work, catalytic activity of basic alumina in water has been demonstrated for the synthesis of poly functionalized pyridines. This strategy has some remarkable advantages, such as use of heterogeneous catalyst in aqueous media, reusability of catalyst and scalable approach.

Self-assembly of Amphiphilic Zinc Chlorins in an Aqueous Medium as a Model for Chlorosome of Green Photosynthetic Bacteria

  • Miyatake, Tomohiro;Kato, Syuusaku;Tamiaki, Hitoshi;Fujiwara, Manabu;Matsushita, Takayuki
    • Journal of Photoscience
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    • 제9권2호
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    • pp.347-349
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    • 2002
  • Synthetic zinc chlorins possessing a hydrophylic polyoxyethylene chain at the 17 -position were prepared. An amphiphilic zinc chlorin possessing a single chIorin moiety showed absorption maxima at 675 nm in an aqueous medium, indicating that the zinc chIorin did not form large aggregates but a dimeric structure. In contrast, amphiphilic zinc chlorin dyads in which two zinc chlorin moieties were connected with a hydrophilic polyoxyethylene linkage showed red-shifted absorption band around 720-740 nm in an aqueous medium. The result indicated that the amphiphilic zinc chlorin dyad self-aggregated to form chlorosome-like oligomer.

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CNS Activities of the Aqueous Extract of Hydrilla verticillata in Mice

  • Pal, Dilipkumar;Balasaheb, Nimse Satish;Khatun, Samina;Bandyopadhyay, Pranab Kumar
    • Natural Product Sciences
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    • 제12권1호
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    • pp.44-49
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    • 2006
  • The aqueous extract of Hydrilla verticillata (AEHV) was tested for possible pharmacological effects on experimental animals. AEHV significantly potentiated the sleeping time of mice induced by standard hypnotics viz. pentobarbitone sodium, diazepam, and meprobamate in a dose dependent manner. AEHV showed significant analgesic properties as evidenced by the significant reduction in the number of writhes and stretches induced in mice by 1.2% acetic acid solution. It also potentiated analgesia induced by morphine and pethidine in mice. Pretreatment with AEHV caused significant protection against strychnine and leptazol-induced convulsions. The behavioral studies on mice indicate CNS depressant activity of the aqueous extract of H. verticillata.

Micellar Catalysis on 1,10-Phenanthroline Promoted Chromic Acid Oxidation of Ethane-1,2-diol in Aqueous Media at Room Temperature

  • Ghosh, Sumanta K.;Saha, Rumpa;Ghosh, Aniruddha;Basu, Ankita;Mukherjee, Kakali;Saha, Indrajit;Saha, Bidyut
    • 대한화학회지
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    • 제56권6호
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    • pp.720-724
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    • 2012
  • Under pseudo-first order conditions, the monomeric species of Cr(VI) was found to be kinetically active in the absence of phenanthroline (phen) whereas in the phen-promoted path, the Cr(VI)-phen complex undergoes a nucleophilic attack by etane-1,2-diol to form a ternary complex which subsequently experience a redox decomposition leading to hydroxy ethanal and Cr(III)-phen complex. The effect of the cationic surfactant (CPC), anionic surfactant (SDS) and neutral surfactant (TX-100) on the unpromoted and phen-promoted path have been studied. Micellar effects have been explained by considering the preferential partitioning of reactants between the micellar and aqueous phase. Combination of TX-100 and phenanthroline will be the ideal for chromic acid oxidation of ethane-1,2-diol in aqueous media.

Salicylimine-Based Colorimetric and Fluorescent Chemosensor for Selective Detection of Cyanide in Aqueous Buffer

  • Noh, Jin Young;Hwang, In Hong;Kim, Hyun;Song, Eun Joo;Kim, Kyung Beom;Kim, Cheal
    • Bulletin of the Korean Chemical Society
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    • 제34권7호
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    • pp.1985-1989
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    • 2013
  • A simple colorimetric and fluorescent anion sensor 1 based on salicylimine showed a high selectivity and sensitivity for detection of cyanide in aqueous solution. The receptor 1 showed high selectivity toward $CN^-$ ions in a 1:1 stoichiometric manner, which induces a fast color change from colorless to orange and a dramatic enhancement in fluorescence intensity selectively for cyanide anions over other anions. Such selectivity resulted from the nucleophilic addition of $CN^-$ to the carbon atom of an electron-deficient imine group. The sensitivity of the fluorescence-based assay (0.06 ${\mu}M$) is below the 1.9 ${\mu}M$ suggested by the World Health Organization (WHO) as the maximum allowable cyanide concentration in drinking water, capable of being a practical system for the monitoring of $CN^-$ concentrations in aqueous samples.

Resolution of Tocainide and Its Analogues on a Doubly Tethered N-CH3 Amide Chiral Stationary Phase Based on (+)-(18-Crown-6)-2,3,11,12-tetracarboxylic Acid

  • Lee, Kyu Jung;Tak, Kyung Mi;Hyun, Myung Ho
    • Bulletin of the Korean Chemical Society
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    • 제34권10호
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    • pp.2978-2982
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    • 2013
  • A doubly tethered $N-CH_3$ amide chiral stationary phase (CSP 4) based on (+)-(18-crown-6)-2,3,11,12-tetracarboxylic acid was applied to the resolution of an antiarrythmic agent, tocainide, and its analogues and the chromatographic resolution results were compared with those on a singly tethered N-H amide CSP (CSP 1), a singly tethered $N-CH_3$ amide CSP (CSP 2) and a doubly tethered N-H amide CSP (CSP 3) under an identical aqueous mobile phase condition. CSP 4 was found to be generally better than other CSPs in terms of the separation factors (${\alpha}$) and resolutions (RS). The retention times of analytes denoted by the retention factors ($k_1$) on CSP 4 were quite long compared to those on other CSPs because of the improved lipophilicity of CSP 4. The long retention times of analytes on CSP 4 were successfully controlled by the addition of a small amount of ammonium acetate to aqueous mobile phase without hurting the chiral recognition efficiency. The variation of the content and type of organic and acidic modifier in aqueous mobile phase was found not to change the chiral recognition efficiency significantly.

Phosphorescent Azacrown Ether-appended Iridium (III) Complex for the Selective Detection of Hg2+ in Aqueous Acetonitrile

  • Li, Yinan;Yoon, Ung-Chan;Hyun, Myung-Ho
    • Bulletin of the Korean Chemical Society
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    • 제32권1호
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    • pp.122-126
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    • 2011
  • A new phosphorescent cyclometalated heteroleptic iridium (III) complex with an ancillary ligand of 4-azacrownpicolinate was prepared and its metal ion selective phosphorescent chemosensing behavior was investigated. The new iridium (III) complex exhibits notable phosphorescence quenching for Hg2+ in aqueous 50% acetonitrile solution with respect to the selective phosphorescent detection of various metal ions including $Li^+,Na^+,K^+,Cs^+,Mg^{2+},Ca^{2+},Ba^{2+},Fe^{2+},Ni^{2+},Cu^{2+},Zn^{2+},Ag^+,Pb^{2+},Cd^{2+},Cr^{2+},Cr^{3+}$ and $Hg^{2+}$. The phosphorescence quenching for $Hg^{2+}$ increased linearly with increasing concentration of $Hg^{2+}$ in the range of $10{\mu}M-700{\mu}M$ even in the presence of other metal ions, except for $Cu^{2+}$. Consequently, the new iridium (III) complex has the potential to be utilized for the determination of parts per million levels of $Hg^{2+}$ in aqueous acetonitrile media.